From 211a096a88c716b95a09fa824f09d916396ecd64 Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Sat, 1 Jun 2019 15:16:34 -0400
Subject: [PATCH 1/7] Added type checking for method/function arguments, return
 values

---
 ecnet/models/mlp.py            | 18 ++++++++++-------
 ecnet/server.py                | 37 +++++++++++++++++++---------------
 ecnet/tasks/limit_inputs.py    |  4 +++-
 ecnet/tasks/remove_outliers.py |  4 +++-
 ecnet/tasks/tuning.py          | 13 +++++++-----
 ecnet/tools/conversions.py     | 13 ++++++------
 ecnet/tools/database.py        |  9 +++++----
 ecnet/tools/plotting.py        | 15 +++++++-------
 ecnet/tools/project.py         |  5 ++---
 ecnet/utils/data_utils.py      | 16 +++++++--------
 ecnet/utils/error_utils.py     | 14 ++++++-------
 ecnet/utils/server_utils.py    | 34 +++++++++++++++++--------------
 12 files changed, 102 insertions(+), 80 deletions(-)

diff --git a/ecnet/models/mlp.py b/ecnet/models/mlp.py
index 45667ac..c2e848c 100644
--- a/ecnet/models/mlp.py
+++ b/ecnet/models/mlp.py
@@ -15,6 +15,7 @@
 
 # 3rd party imports
 from tensorflow import get_default_graph, logging
+from numpy import array
 stderr = sys.stderr
 sys.stderr = open(devnull, 'w')
 from keras.backend import clear_session, reset_uids
@@ -36,7 +37,7 @@
 
 class MultilayerPerceptron:
 
-    def __init__(self, filename='model.h5'):
+    def __init__(self, filename: str='model.h5'):
         '''MultilayerPerceptron object: fits neural network to supplied inputs
         and targets
 
@@ -54,7 +55,8 @@ def __init__(self, filename='model.h5'):
         clear_session()
         self._model = Sequential(name=filename.lower().replace('.h5', ''))
 
-    def add_layer(self, num_neurons, activation, input_dim=None):
+    def add_layer(self, num_neurons: int, activation: str,
+                  input_dim: int=None):
         '''Adds a fully-connected layer to the model
 
         Args:
@@ -71,8 +73,10 @@ def add_layer(self, num_neurons, activation, input_dim=None):
             input_shape=(input_dim,)
         ))
 
-    def fit(self, l_x, l_y, v_x=None, v_y=None, epochs=1500, lr=0.001,
-            beta_1=0.9, beta_2=0.999, epsilon=None, decay=0.0, v=0):
+    def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None,
+            epochs: int=1500, lr: float=0.001, beta_1: float=0.9,
+            beta_2: float=0.999, epsilon: float=0.0000001, decay: float=0.0,
+            v: int=0):
         '''Fits neural network to supplied inputs and targets
 
         Args:
@@ -133,7 +137,7 @@ def fit(self, l_x, l_y, v_x=None, v_y=None, epochs=1500, lr=0.001,
         logger.log('debug', 'Training complete after {} epochs'.format(epochs),
                    call_loc='MLP')
 
-    def use(self, x):
+    def use(self, x: array):
         '''Uses neural network to predict values for supplied data
 
         Args:
@@ -146,7 +150,7 @@ def use(self, x):
         with get_default_graph().as_default():
             return self._model.predict(x)
 
-    def save(self, filename=None):
+    def save(self, filename: str=None):
         '''Saves neural network to .h5 file
 
         filename (str): if None, uses MultilayerPerceptron._filename;
@@ -165,7 +169,7 @@ def save(self, filename=None):
         logger.log('debug', 'Model saved to {}'.format(filename),
                    call_loc='MLP')
 
-    def load(self, filename=None):
+    def load(self, filename: str=None):
         '''Loads neural network from .h5 file
 
         Args:
diff --git a/ecnet/server.py b/ecnet/server.py
index 3cdc850..d11efda 100644
--- a/ecnet/server.py
+++ b/ecnet/server.py
@@ -32,8 +32,8 @@
 
 class Server:
 
-    def __init__(self, model_config='config.yml', prj_file=None,
-                 num_processes=1):
+    def __init__(self, model_config: str='config.yml', prj_file: str=None,
+                 num_processes: int=1):
         '''Server object: handles data loading, model creation, data-to-model
         hand-off, data input parameter selection, hyperparameter tuning
 
@@ -72,7 +72,8 @@ def __init__(self, model_config='config.yml', prj_file=None,
             self._vars = default_config()
             save_config(self._vars, self._cf_file)
 
-    def load_data(self, filename, random=False, split=None, normalize=False):
+    def load_data(self, filename: str, random: bool=False, split: list=None,
+                  normalize: bool=False):
         '''Loads data from an ECNet-formatted CSV database
 
         Args:
@@ -92,7 +93,8 @@ def load_data(self, filename, random=False, split=None, normalize=False):
         self._df.create_sets(random, split)
         self._sets = self._df.package_sets()
 
-    def create_project(self, project_name, num_pools=1, num_candidates=1):
+    def create_project(self, project_name: str, num_pools: int=1,
+                       num_candidates: int=1):
         '''Creates folder hierarchy for a new project
 
         Args:
@@ -116,7 +118,7 @@ def create_project(self, project_name, num_pools=1, num_candidates=1):
         logger.log('debug', 'Number of candidates/pool: {}'.format(
                    num_candidates), call_loc='PROJECT')
 
-    def remove_outliers(self, leaf_size=30, output_filename=None):
+    def remove_outliers(self, leaf_size: int=30, output_filename: str=None):
         '''Removes any outliers from the currently-loaded data using
             unsupervised outlier detection using local outlier factor
 
@@ -136,8 +138,8 @@ def remove_outliers(self, leaf_size=30, output_filename=None):
             logger.log('info', 'Resulting database saved to {}'.format(
                        output_filename), call_loc='OUTLIERS')
 
-    def limit_inputs(self, limit_num, num_estimators=1000,
-                     output_filename=None):
+    def limit_inputs(self, limit_num: int, num_estimators: int=1000,
+                     output_filename: str=None):
         '''Selects `limit_num` influential input parameters using random
         forest regression
 
@@ -163,9 +165,10 @@ def limit_inputs(self, limit_num, num_estimators=1000,
             logger.log('info', 'Resulting database saved to {}'.format(
                        output_filename), call_loc='LIMIT')
 
-    def tune_hyperparameters(self, num_employers, num_iterations,
-                             shuffle=None, split=None, validate=True,
-                             eval_set=None, eval_fn='rmse'):
+    def tune_hyperparameters(self, num_employers: int, num_iterations: int,
+                             shuffle: bool=None, split: list=None,
+                             validate: bool=True, eval_set: str=None,
+                             eval_fn: str='rmse'):
         '''Tunes neural network learning hyperparameters using an artificial
         bee colony algorithm; tuned hyperparameters are saved to Server's
         model configuration file
@@ -206,8 +209,9 @@ def tune_hyperparameters(self, num_employers, num_iterations,
         )
         save_config(self._vars, self._cf_file)
 
-    def train(self, shuffle=None, split=None, retrain=False,
-              validate=False, selection_set=None, selection_fn='rmse'):
+    def train(self, shuffle: str=None, split: list=None, retrain: bool=False,
+              validate: bool=False, selection_set: str=None,
+              selection_fn: str='rmse'):
         '''Trains neural network(s) using currently-loaded data; single NN if
         no project is created, all candidates if created
 
@@ -307,7 +311,7 @@ def train(self, shuffle=None, split=None, retrain=False,
                     pool_fp.replace('model.h5', 'data.d')
                 )
 
-    def use(self, dset=None, output_filename=None):
+    def use(self, dset: str=None, output_filename: str=None):
         '''Uses trained neural network(s) to predict for specified set; single
         NN if no project created, best pool candidates if created
 
@@ -341,7 +345,7 @@ def use(self, dset=None, output_filename=None):
                        call_loc='USE')
         return results
 
-    def errors(self, *args, dset=None):
+    def errors(self, *args, dset: str=None):
         '''Obtains various errors for specified set
 
         Args:
@@ -365,7 +369,8 @@ def errors(self, *args, dset=None):
         logger.log('debug', 'Errors: {}'.format(errors), call_loc='ERRORS')
         return errors
 
-    def save_project(self, filename=None, clean_up=True, del_candidates=False):
+    def save_project(self, filename: str=None, clean_up: bool=True,
+                     del_candidates: bool=False):
         '''Saves current state of project to a .prj file
 
         Args:
@@ -400,7 +405,7 @@ def save_project(self, filename=None, clean_up=True, del_candidates=False):
         logger.log('info', 'Project saved to {}'.format(save_path),
                    call_loc='PROJECT')
 
-    def _open_project(self, prj_file):
+    def _open_project(self, prj_file: str):
         '''Private method: if project file specified on Server.__init__, loads
         the project
 
diff --git a/ecnet/tasks/limit_inputs.py b/ecnet/tasks/limit_inputs.py
index 802248c..1358696 100644
--- a/ecnet/tasks/limit_inputs.py
+++ b/ecnet/tasks/limit_inputs.py
@@ -17,10 +17,12 @@
 from ditto_lib.utils.dataframe import Attribute
 
 # ECNet imports
+from ecnet.utils.data_utils import DataFrame
 from ecnet.utils.logging import logger
 
 
-def limit_rforest(df, limit_num, num_estimators=1000, num_processes=1):
+def limit_rforest(df: DataFrame, limit_num: int, num_estimators: int=1000,
+                  num_processes: int=1) -> DataFrame:
     '''Uses random forest regression to select input parameters
 
     Args:
diff --git a/ecnet/tasks/remove_outliers.py b/ecnet/tasks/remove_outliers.py
index 01113fb..a84c18c 100644
--- a/ecnet/tasks/remove_outliers.py
+++ b/ecnet/tasks/remove_outliers.py
@@ -18,10 +18,12 @@
 from ditto_lib.utils.dataframe import Attribute
 
 # ECNet imports
+from ecnet.utils.data_utils import DataFrame
 from ecnet.utils.logging import logger
 
 
-def remove_outliers(df, leaf_size=40, num_processes=1):
+def remove_outliers(df: DataFrame, leaf_size: int=40,
+                    num_processes: int=1) -> DataFrame:
     '''Unsupervised outlier detection using local outlier factor
 
     Args:
diff --git a/ecnet/tasks/tuning.py b/ecnet/tasks/tuning.py
index 8cf3e4f..4329856 100644
--- a/ecnet/tasks/tuning.py
+++ b/ecnet/tasks/tuning.py
@@ -12,13 +12,16 @@
 from ecabc.abc import ABC
 
 # ECNet imports
+from ecnet.utils.data_utils import DataFrame
 from ecnet.utils.logging import logger
 from ecnet.utils.server_utils import default_config, train_model
 
 
-def tune_hyperparameters(df, vars, num_employers, num_iterations,
-                         num_processes=1, shuffle=None, split=None,
-                         validate=True, eval_set=None, eval_fn='rmse'):
+def tune_hyperparameters(df: DataFrame, vars: dict, num_employers: int,
+                         num_iterations: int, num_processes: int=1,
+                         shuffle: str=None, split: list=None,
+                         validate: bool=True, eval_set: str=None,
+                         eval_fn: str='rmse') -> dict:
     '''Tunes neural network learning/architecture hyperparameters
 
     Args:
@@ -27,7 +30,7 @@ def tune_hyperparameters(df, vars, num_employers, num_iterations,
         num_employers (int): number of employer bees
         num_iterations (int): number of search cycles for the colony
         num_processes (int): number of parallel processes to utilize
-        shuffle (bool): if True, shuffles L/V/T data for all evals
+        shuffle (str): shuffles `train` or `all` sets if not None
         split (list): if shuffle is True, [learn%, valid%, test%]
         validate (bool): if True, uses periodic validation; otherwise, no
         eval_set (str): set used to evaluate bee performance; `learn`, `valid`,
@@ -99,7 +102,7 @@ def tune_hyperparameters(df, vars, num_employers, num_iterations,
     return vars
 
 
-def tune_fitness_function(params, **kwargs):
+def tune_fitness_function(params: dict, **kwargs):
     '''Fitness function used by ABC
 
     Args:
diff --git a/ecnet/tools/conversions.py b/ecnet/tools/conversions.py
index 0123294..1097c8f 100644
--- a/ecnet/tools/conversions.py
+++ b/ecnet/tools/conversions.py
@@ -26,21 +26,21 @@
 )
 
 
-def get_smiles(name):
+def get_smiles(name: str) -> list:
     '''Queries PubChemPy for SMILES string for supplied molecule
 
     Args:
         name (str): name of the molecule (IUPAC, CAS, etc.)
 
     Returns:
-        str or None: if molecule found, returns first idenitifying SMILES,
-            else None
+        list: list of all SMILES strings representing the given molecule
     '''
 
     return [m.isomeric_smiles for m in get_compounds(name, 'name')]
 
 
-def smiles_to_descriptors(smiles_file, descriptors_csv, fingerprints=False):
+def smiles_to_descriptors(smiles_file: str, descriptors_csv: str,
+                          fingerprints: bool=False) -> list:
     '''Generates QSPR descriptors from supplied SMILES file using
     PaDEL-Descriptor
 
@@ -111,7 +111,7 @@ def smiles_to_descriptors(smiles_file, descriptors_csv, fingerprints=False):
         return [row for row in reader]
 
 
-def smiles_to_mdl(smiles_file, mdl_file):
+def smiles_to_mdl(smiles_file: str, mdl_file: str):
     '''Invoke Open Babel to generate an MDL file containing all supplied
     molecules; requires Open Babel to be installed externally
 
@@ -151,7 +151,8 @@ def smiles_to_mdl(smiles_file, mdl_file):
                 continue
 
 
-def mdl_to_descriptors(mdl_file, descriptors_csv, fingerprints=False):
+def mdl_to_descriptors(mdl_file: str, descriptors_csv: str,
+                       fingerprints: bool=False) -> list:
     '''Generates QSPR descriptors from supplied MDL file using
     PaDEL-Descriptor
 
diff --git a/ecnet/tools/database.py b/ecnet/tools/database.py
index 1168a1c..0e68b43 100644
--- a/ecnet/tools/database.py
+++ b/ecnet/tools/database.py
@@ -17,9 +17,10 @@
 from ecnet.tools.conversions import get_smiles, smiles_to_descriptors
 
 
-def create_db(input_txt, output_name, id_prefix='', targets=None, form='name',
-              smiles_file='mols.smi', desc_file='descriptors.csv',
-              clean_up=True, fingerprints=False, extra_strings={}):
+def create_db(input_txt: str, output_name: str, id_prefix: str='',
+              targets: str=None, form: str='name', smiles_file: str='mols.smi',
+              desc_file: str='descriptors.csv', clean_up: bool=True,
+              fingerprints: bool=False, extra_strings: dict={}):
     '''Create an ECNet-formatted database from either molecule names or SMILES
     strings
 
@@ -137,7 +138,7 @@ def create_db(input_txt, output_name, id_prefix='', targets=None, form='name',
         remove(desc_file)
 
 
-def _read_txt(file):
+def _read_txt(file: str) -> list:
     '''Reads text file, returns contents
 
     Args:
diff --git a/ecnet/tools/plotting.py b/ecnet/tools/plotting.py
index b546b93..6c7c9f0 100644
--- a/ecnet/tools/plotting.py
+++ b/ecnet/tools/plotting.py
@@ -18,8 +18,9 @@
 
 class ParityPlot:
 
-    def __init__(self, title='Parity Plot', x_label='Experimental Value',
-                 y_label='Predicted Value', font='Times New Roman'):
+    def __init__(self, title: str='Parity Plot',
+                 x_label: str='Experimental Value',
+                 y_label: str='Predicted Value', font: str='Times New Roman'):
         ''' ParityPlot: creates a plot of predicted values vs. experimental
         data relative to a 1:1 parity line
 
@@ -37,7 +38,7 @@ def __init__(self, title='Parity Plot', x_label='Experimental Value',
         self._max_val = 0
         self._labels = None
 
-    def add_series(self, x_vals, y_vals, name=None, color=None):
+    def add_series(self, x_vals, y_vals, name: str=None, color: str=None):
         ''' Adds data to the plot
 
         Args:
@@ -59,7 +60,7 @@ def add_series(self, x_vals, y_vals, name=None, color=None):
         if y_max > self._max_val:
             self._max_val = y_max
 
-    def add_error_bars(self, error, label=None):
+    def add_error_bars(self, error: float, label: str=None):
         ''' Adds error bars, +/- the error relative to the 1:1 parity line
 
         Args:
@@ -78,7 +79,7 @@ def show(self):
         self._add_parity_line()
         plt.show()
 
-    def save(self, filename):
+    def save(self, filename: str):
         ''' Saves the plot to a file
 
         Args:
@@ -88,7 +89,7 @@ def save(self, filename):
         self._add_parity_line()
         plt.savefig(filename)
 
-    def _add_parity_line(self, offset=0):
+    def _add_parity_line(self, offset: float=0.0):
         ''' Adds a 1:1 parity line
 
         Args:
@@ -110,7 +111,7 @@ def _add_parity_line(self, offset=0):
             linewidth=1
         )
 
-    def _add_label(self, label, value):
+    def _add_label(self, label: str, value: float):
         ''' Adds a label and value to the plot's legend
 
         Args:
diff --git a/ecnet/tools/project.py b/ecnet/tools/project.py
index 04f6640..e3fd26d 100644
--- a/ecnet/tools/project.py
+++ b/ecnet/tools/project.py
@@ -19,8 +19,8 @@
 from ecnet.tools.database import create_db
 
 
-def predict(input_txt, results_file, prj_file, form='name',
-            temp_db='_new_mols.csv', clean_up=True):
+def predict(input_txt: str, results_file: str, prj_file: str, form: str='name',
+            temp_db: str='_new_mols.csv', clean_up: bool=True):
     '''Predicts values for new data using pre-existing .prj file
 
     Args:
@@ -35,7 +35,6 @@ def predict(input_txt, results_file, prj_file, form='name',
             function (except for input/results files)
     '''
 
-    logger.stream_level = 'disable'
     sv = Server(prj_file=prj_file)
     create_db(input_txt, temp_db, form=form, clean_up=clean_up)
     new_data = DataFrame(temp_db)
diff --git a/ecnet/utils/data_utils.py b/ecnet/utils/data_utils.py
index b6fb473..d5bc860 100644
--- a/ecnet/utils/data_utils.py
+++ b/ecnet/utils/data_utils.py
@@ -47,7 +47,7 @@ def __init__(self):
 
 class DataFrame:
 
-    def __init__(self, filename):
+    def __init__(self, filename: str):
         '''DataFrame object: handles data importing, set splitting, shuffling,
         packaging
 
@@ -112,7 +112,7 @@ def __len__(self):
 
         return len(self.data_points)
 
-    def create_sets(self, random=False, split=[0.7, 0.2, 0.1]):
+    def create_sets(self, random: bool=False, split: list=[0.7, 0.2, 0.1]):
         '''Creates learning, validation and test sets
 
         Args:
@@ -167,7 +167,7 @@ def create_sets(self, random=False, split=[0.7, 0.2, 0.1]):
         logger.log('debug', 'Number of entries in test set: {}'.format(
                    len(self.test_set)), call_loc='DF')
 
-    def create_sorted_sets(self, sort_str, split=[0.7, 0.2, 0.1]):
+    def create_sorted_sets(self, sort_str: str, split: list=[0.7, 0.2, 0.1]):
         '''Creates random learn, validate and test sets, ensuring data points with
         the supplied sort string are split proportionally between the sets
 
@@ -239,7 +239,7 @@ def normalize(self):
                         (float(getattr(pt, inp)) - v_min) / (v_max - v_min)
                     )
 
-    def shuffle(self, sets='all', split=[0.7, 0.2, 0.1]):
+    def shuffle(self, sets: str='all', split: list=[0.7, 0.2, 0.1]):
         '''Shuffles learning, validation and test sets or learning and
         validation sets
 
@@ -275,7 +275,7 @@ def shuffle(self, sets='all', split=[0.7, 0.2, 0.1]):
         else:
             raise ValueError('Invalid sets argument: {}'.format(sets))
 
-    def package_sets(self):
+    def package_sets(self) -> PackagedData:
         '''Packages learn, validate and test sets for model hand-off
 
         Returns:
@@ -314,7 +314,7 @@ def package_sets(self):
         pd.test_y = asarray(pd.test_y)
         return pd
 
-    def set_inputs(self, inputs):
+    def set_inputs(self, inputs: list):
         '''Removes all input variables except those supplied
 
         Args:
@@ -330,7 +330,7 @@ def set_inputs(self, inputs):
 
         self._input_names = inputs
 
-    def save(self, filename):
+    def save(self, filename: str):
         '''Saves the current state of the DataFrame to a new CSV database
 
         Args:
@@ -378,7 +378,7 @@ def save(self, filename):
                    call_loc='DF')
 
 
-def save_results(results, dset, df, filename):
+def save_results(results: list, dset: str, df: DataFrame, filename: str):
     '''Saves results obtained from ecnet.Server.use_model()
 
     Args:
diff --git a/ecnet/utils/error_utils.py b/ecnet/utils/error_utils.py
index 832ebcb..6582864 100644
--- a/ecnet/utils/error_utils.py
+++ b/ecnet/utils/error_utils.py
@@ -9,26 +9,26 @@
 #
 
 # 3rd party imports
-from numpy import absolute, asarray, float64, median, square, sqrt as nsqrt,\
-    sum as nsum
+from numpy import absolute, asarray, array, float64, median, square,\
+    sqrt as nsqrt, sum as nsum
 
 
-def calc_rmse(y_hat, y):
+def calc_rmse(y_hat: array, y: array) -> float:
 
     return nsqrt((square(_get_diff(y_hat, y)).mean()))
 
 
-def calc_mean_abs_error(y_hat, y):
+def calc_mean_abs_error(y_hat: array, y: array) -> float:
 
     return absolute(_get_diff(y_hat, y)).mean()
 
 
-def calc_med_abs_error(y_hat, y):
+def calc_med_abs_error(y_hat: array, y: array) -> float:
 
     return median(absolute(_get_diff(y_hat, y)))
 
 
-def calc_r2(y_hat, y):
+def calc_r2(y_hat: array, y: array) -> float:
 
     try:
         y_mean = y.mean()
@@ -46,6 +46,6 @@ def calc_r2(y_hat, y):
     return(1 - (s_res / s_tot))
 
 
-def _get_diff(y_hat, y):
+def _get_diff(y_hat: array, y: array) -> array:
 
     return asarray(y_hat, dtype=float64) - asarray(y, dtype=float64)
diff --git a/ecnet/utils/server_utils.py b/ecnet/utils/server_utils.py
index 2647b58..910589a 100644
--- a/ecnet/utils/server_utils.py
+++ b/ecnet/utils/server_utils.py
@@ -13,16 +13,17 @@
 from pickle import dump as pdump, load as pload
 
 # 3rd party imports
-from numpy import asarray
+from numpy import asarray, array
 from yaml import dump, load, FullLoader
 
 # ECNet imports
+from ecnet.utils.data_utils import DataFrame, PackagedData
 from ecnet.utils.error_utils import calc_rmse, calc_mean_abs_error,\
     calc_med_abs_error, calc_r2
 from ecnet.models.mlp import MultilayerPerceptron
 
 
-def default_config():
+def default_config() -> dict:
     '''Returns default NN architecture/learning parameters'''
 
     return {
@@ -40,7 +41,8 @@ def default_config():
     }
 
 
-def get_candidate_path(prj, pool, candidate=None, model=False, p_best=False):
+def get_candidate_path(prj: str, pool: int, candidate: int=None,
+                       model: bool=False, p_best: bool=False) -> str:
     '''Get path to various states of model.h5 files
 
     Args:
@@ -75,7 +77,7 @@ def get_candidate_path(prj, pool, candidate=None, model=False, p_best=False):
         )
 
 
-def get_error(y_hat, y, fn):
+def get_error(y_hat: array, y: array, fn: str) -> float:
     '''Obtains specified error for supplied results/targets
 
     Args:
@@ -100,7 +102,7 @@ def get_error(y_hat, y, fn):
         raise ValueError('Unknown error function: {}'.format(fn))
 
 
-def get_x(sets, dset):
+def get_x(sets: PackagedData, dset: str) -> array:
     '''Obtains input values for specified data set
 
     Args:
@@ -130,7 +132,7 @@ def get_x(sets, dset):
         raise ValueError('Unknown dset argument: {}'.format(dset))
 
 
-def get_y(sets, dset):
+def get_y(sets: PackagedData, dset: str) -> array:
     '''Obtains target values for specified data set
 
     Args:
@@ -160,7 +162,7 @@ def get_y(sets, dset):
         raise ValueError('Unknown dset argument: {}'.format(dset))
 
 
-def open_config(filename):
+def open_config(filename: str) -> dict:
     '''Returns contents of YML model configuration file
 
     Args:
@@ -174,7 +176,7 @@ def open_config(filename):
         return load(cf_file, FullLoader)
 
 
-def open_df(filename):
+def open_df(filename: str) -> DataFrame:
     '''Opens pickled DataFrame object
 
     Args:
@@ -188,7 +190,7 @@ def open_df(filename):
         return pload(data_file)
 
 
-def resave_df(old, new):
+def resave_df(old: str, new: str):
     '''Resaves picked DataFrame to new location
 
     Args:
@@ -199,7 +201,7 @@ def resave_df(old, new):
     save_df(open_df(old), new)
 
 
-def resave_model(old, new):
+def resave_model(old: str, new: str):
     '''Resaves .h5 model file
 
     Args:
@@ -212,8 +214,9 @@ def resave_model(old, new):
     model.save(new)
 
 
-def train_model(sets, vars, eval_set, eval_fn, retrain=False,
-                filename='model.h5', validate=True, save=True):
+def train_model(sets: PackagedData, vars: dict, eval_set: str, eval_fn: str,
+                retrain: bool=False, filename: str='model.h5',
+                validate: bool=True, save: bool=True) -> float:
     '''Trains neural network
 
     Args:
@@ -274,7 +277,7 @@ def train_model(sets, vars, eval_set, eval_fn, retrain=False,
     )
 
 
-def save_config(vars, filename):
+def save_config(vars: dict, filename: str):
     '''Saves model architecture/learning variables to YML file
 
     Args:
@@ -286,7 +289,7 @@ def save_config(vars, filename):
     cf_file.close()
 
 
-def save_df(df, filename):
+def save_df(df: DataFrame, filename: str):
     '''Saves DataFrame to pickled file
 
     Args:
@@ -298,7 +301,8 @@ def save_df(df, filename):
     data_file.close()
 
 
-def use_model(sets, dset, filename='model.h5'):
+def use_model(sets: PackagedData, dset: str,
+              filename: str='model.h5') -> array:
     '''Uses existing model to predict data
 
     Args:

From 00e801d90cd5c3963bed0ba33f2f9f1d421fe3d7 Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Sun, 2 Jun 2019 18:57:09 -0400
Subject: [PATCH 2/7] calc_r2 function now uses sklearn's r2_score function

---
 ecnet/utils/error_utils.py | 18 +++---------------
 1 file changed, 3 insertions(+), 15 deletions(-)

diff --git a/ecnet/utils/error_utils.py b/ecnet/utils/error_utils.py
index 6582864..3e69fba 100644
--- a/ecnet/utils/error_utils.py
+++ b/ecnet/utils/error_utils.py
@@ -10,7 +10,8 @@
 
 # 3rd party imports
 from numpy import absolute, asarray, array, float64, median, square,\
-    sqrt as nsqrt, sum as nsum
+    sqrt as nsqrt
+from sklearn.metrics import r2_score
 
 
 def calc_rmse(y_hat: array, y: array) -> float:
@@ -30,20 +31,7 @@ def calc_med_abs_error(y_hat: array, y: array) -> float:
 
 def calc_r2(y_hat: array, y: array) -> float:
 
-    try:
-        y_mean = y.mean()
-    except:
-        try:
-            y_form = []
-            for i in range(len(y)):
-                y_form.append(y[i][0])
-            y_mean = sum(y_form)/len(y_form)
-        except:
-            raise ValueError('Check input data format.')
-
-    s_res = nsum(square(_get_diff(y_hat, y)))
-    s_tot = nsum(square(_get_diff(y, y_mean)))
-    return(1 - (s_res / s_tot))
+    return r2_score(y, y_hat)
 
 
 def _get_diff(y_hat: array, y: array) -> array:

From 1ba212dbafe1a464947753fdbceb119c5b9777bc Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Mon, 3 Jun 2019 16:47:01 -0400
Subject: [PATCH 3/7] Added MultilayerPerceptron.use() return type

---
 ecnet/models/mlp.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/ecnet/models/mlp.py b/ecnet/models/mlp.py
index c2e848c..e52964c 100644
--- a/ecnet/models/mlp.py
+++ b/ecnet/models/mlp.py
@@ -137,7 +137,7 @@ def fit(self, l_x: array, l_y: array, v_x: array=None, v_y: array=None,
         logger.log('debug', 'Training complete after {} epochs'.format(epochs),
                    call_loc='MLP')
 
-    def use(self, x: array):
+    def use(self, x: array) -> array:
         '''Uses neural network to predict values for supplied data
 
         Args:

From 568bb94dea44b6d2768d0ad824bd17ad8f3947de Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Mon, 3 Jun 2019 17:42:13 -0400
Subject: [PATCH 4/7] Update to installation instructions

---
 docs/usage/installation.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/usage/installation.md b/docs/usage/installation.md
index 1788ec9..f5b046a 100644
--- a/docs/usage/installation.md
+++ b/docs/usage/installation.md
@@ -1,7 +1,7 @@
 # Installation
 
 ### Prerequisites
-- Have Python 3.5/3.6 installed
+- Have Python 3.7 installed
 - Have the ability to install Python packages
 
 ### Install via pip
@@ -15,7 +15,7 @@ Alternatively, in a Windows or virtualenv environment:
 pip install ecnet
 ```
 
-Note: if multiple Python releases are installed on your system (e.g. 2.7 and 3.6), you may need to execute the correct version of pip. For Python 3.6, change **"pip install ecnet"** to **"pip3 install ecnet"**.
+Note: if multiple Python releases are installed on your system (e.g. 2.7 and 3.7), you may need to execute the correct version of pip. For Python 3.7, change **"pip install ecnet"** to **"pip3 install ecnet"**.
 
 To update your version of ECNet to the latest release version, use:
 ```

From 4725e399e518323266db274bbb87270d58e85c54 Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Mon, 3 Jun 2019 17:45:45 -0400
Subject: [PATCH 5/7] Removed old unit tests

---
 tests/database_creation/db_from_names.csv     |   7 -
 tests/database_creation/db_from_smiles.csv    |   7 -
 .../db_with_fingerprints.csv                  |   7 -
 tests/database_creation/mols_names.txt        |   5 -
 tests/database_creation/mols_smiles.txt       |   5 -
 tests/database_creation/mols_targets.txt      |   5 -
 tests/database_creation/test.py               |  41 --
 tests/hyperparameter_tuning/cn_model_v1.0.csv | 484 ------------------
 tests/hyperparameter_tuning/config.yml        |  13 -
 tests/hyperparameter_tuning/test.py           |  24 -
 tests/limit_inputs/cn_model_v1.0.csv          | 484 ------------------
 tests/limit_inputs/config.yml                 |  13 -
 tests/limit_inputs/limited_inputs.csv         | 484 ------------------
 tests/limit_inputs/test.py                    |  16 -
 tests/logging/logs/1559170924.log             |  25 -
 tests/logging/new_logs/1559170924.log         |   5 -
 tests/logging/test.py                         |  34 --
 tests/remove_outliers/cn_model_v1.0.csv       | 484 ------------------
 tests/remove_outliers/cn_no_outliers.csv      | 435 ----------------
 tests/remove_outliers/config.yml              |  13 -
 tests/remove_outliers/test.py                 |  15 -
 tests/test_all.bat                            |  31 --
 tests/training/_test_train_res.csv            |  37 --
 tests/training/_training_test_1.prj           | Bin 220951 -> 0 bytes
 tests/training/_training_test_2.prj           | Bin 539836 -> 0 bytes
 tests/training/_training_test_3.prj           | Bin 547677 -> 0 bytes
 tests/training/_training_test_4.prj           | Bin 540855 -> 0 bytes
 tests/training/_training_test_5.prj           | Bin 541656 -> 0 bytes
 tests/training/_training_test_6.prj           | Bin 542613 -> 0 bytes
 tests/training/cn_model_v1.0.csv              | 484 ------------------
 tests/training/config.yml                     |  13 -
 tests/training/model.h5                       | Bin 47096 -> 0 bytes
 tests/training/test.py                        |  56 --
 tests/use_project/cn_model_v1.0.csv           | 484 ------------------
 tests/use_project/config.yml                  |  13 -
 tests/use_project/test.py                     |  29 --
 tests/use_project/use_project.prj             | Bin 540389 -> 0 bytes
 tests/use_project/use_project_test.csv        |  37 --
 tests/use_project/use_project_train.csv       | 449 ----------------
 tests/use_project_tool/cn_model_v2.0.csv      | 484 ------------------
 tests/use_project_tool/cn_test_results.csv    |   7 -
 tests/use_project_tool/config.yml             |  13 -
 tests/use_project_tool/model.prj              | Bin 305047 -> 0 bytes
 tests/use_project_tool/mols_smiles.txt        |   5 -
 tests/use_project_tool/test.py                |  23 -
 45 files changed, 4771 deletions(-)
 delete mode 100644 tests/database_creation/db_from_names.csv
 delete mode 100644 tests/database_creation/db_from_smiles.csv
 delete mode 100644 tests/database_creation/db_with_fingerprints.csv
 delete mode 100644 tests/database_creation/mols_names.txt
 delete mode 100644 tests/database_creation/mols_smiles.txt
 delete mode 100644 tests/database_creation/mols_targets.txt
 delete mode 100644 tests/database_creation/test.py
 delete mode 100644 tests/hyperparameter_tuning/cn_model_v1.0.csv
 delete mode 100644 tests/hyperparameter_tuning/config.yml
 delete mode 100644 tests/hyperparameter_tuning/test.py
 delete mode 100644 tests/limit_inputs/cn_model_v1.0.csv
 delete mode 100644 tests/limit_inputs/config.yml
 delete mode 100644 tests/limit_inputs/limited_inputs.csv
 delete mode 100644 tests/limit_inputs/test.py
 delete mode 100644 tests/logging/logs/1559170924.log
 delete mode 100644 tests/logging/new_logs/1559170924.log
 delete mode 100644 tests/logging/test.py
 delete mode 100644 tests/remove_outliers/cn_model_v1.0.csv
 delete mode 100644 tests/remove_outliers/cn_no_outliers.csv
 delete mode 100644 tests/remove_outliers/config.yml
 delete mode 100644 tests/remove_outliers/test.py
 delete mode 100644 tests/test_all.bat
 delete mode 100644 tests/training/_test_train_res.csv
 delete mode 100644 tests/training/_training_test_1.prj
 delete mode 100644 tests/training/_training_test_2.prj
 delete mode 100644 tests/training/_training_test_3.prj
 delete mode 100644 tests/training/_training_test_4.prj
 delete mode 100644 tests/training/_training_test_5.prj
 delete mode 100644 tests/training/_training_test_6.prj
 delete mode 100644 tests/training/cn_model_v1.0.csv
 delete mode 100644 tests/training/config.yml
 delete mode 100644 tests/training/model.h5
 delete mode 100644 tests/training/test.py
 delete mode 100644 tests/use_project/cn_model_v1.0.csv
 delete mode 100644 tests/use_project/config.yml
 delete mode 100644 tests/use_project/test.py
 delete mode 100644 tests/use_project/use_project.prj
 delete mode 100644 tests/use_project/use_project_test.csv
 delete mode 100644 tests/use_project/use_project_train.csv
 delete mode 100644 tests/use_project_tool/cn_model_v2.0.csv
 delete mode 100644 tests/use_project_tool/cn_test_results.csv
 delete mode 100644 tests/use_project_tool/config.yml
 delete mode 100644 tests/use_project_tool/model.prj
 delete mode 100644 tests/use_project_tool/mols_smiles.txt
 delete mode 100644 tests/use_project_tool/test.py

diff --git a/tests/database_creation/db_from_names.csv b/tests/database_creation/db_from_names.csv
deleted file mode 100644
index b910cfc..0000000
--- a/tests/database_creation/db_from_names.csv
+++ /dev/null
@@ -1,7 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","TARGET","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT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diff --git a/tests/database_creation/db_from_smiles.csv b/tests/database_creation/db_from_smiles.csv
deleted file mode 100644
index ee6c49f..0000000
--- a/tests/database_creation/db_from_smiles.csv
+++ /dev/null
@@ -1,7 +0,0 @@
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diff --git a/tests/database_creation/db_with_fingerprints.csv b/tests/database_creation/db_with_fingerprints.csv
deleted file mode 100644
index 35168b5..0000000
--- a/tests/database_creation/db_with_fingerprints.csv
+++ /dev/null
@@ -1,7 +0,0 @@
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diff --git a/tests/database_creation/mols_names.txt b/tests/database_creation/mols_names.txt
deleted file mode 100644
index 58ca59c..0000000
--- a/tests/database_creation/mols_names.txt
+++ /dev/null
@@ -1,5 +0,0 @@
-ethanol
-octanal
-hexanal
-pentanal
-butanal
\ No newline at end of file
diff --git a/tests/database_creation/mols_smiles.txt b/tests/database_creation/mols_smiles.txt
deleted file mode 100644
index 58b0f0c..0000000
--- a/tests/database_creation/mols_smiles.txt
+++ /dev/null
@@ -1,5 +0,0 @@
-CCO
-CCCCCCCC=O
-CCCCCC=O
-CCCCC=O
-CCCC=O
\ No newline at end of file
diff --git a/tests/database_creation/mols_targets.txt b/tests/database_creation/mols_targets.txt
deleted file mode 100644
index e96533f..0000000
--- a/tests/database_creation/mols_targets.txt
+++ /dev/null
@@ -1,5 +0,0 @@
-11
-102.5
-75.2
-65.1
-41.1
\ No newline at end of file
diff --git a/tests/database_creation/test.py b/tests/database_creation/test.py
deleted file mode 100644
index 4fbb0b0..0000000
--- a/tests/database_creation/test.py
+++ /dev/null
@@ -1,41 +0,0 @@
-from ecnet.tools.database import create_db
-
-
-def from_names():
-
-    print('Creating database from names...')
-    create_db(
-        'mols_names.txt',
-        'db_from_names.csv',
-        targets='mols_targets.txt'
-    )
-
-
-def from_smiles():
-
-    print('Creating database from SMILES...')
-    create_db(
-        'mols_smiles.txt',
-        'db_from_smiles.csv',
-        targets='mols_targets.txt',
-        form='smiles'
-    )
-
-
-def fingerprints():
-
-    print('Creating database with fingerprints...')
-    create_db(
-        'mols_smiles.txt',
-        'db_with_fingerprints.csv',
-        targets='mols_targets.txt',
-        form='smiles',
-        fingerprints=True
-    )
-
-
-if __name__ == '__main__':
-
-    from_names()
-    from_smiles()
-    fingerprints()
diff --git a/tests/hyperparameter_tuning/cn_model_v1.0.csv b/tests/hyperparameter_tuning/cn_model_v1.0.csv
deleted file mode 100644
index b86906e..0000000
--- a/tests/hyperparameter_tuning/cn_model_v1.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
-DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
-UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
-UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
-UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
-UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
-UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
-UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
-UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
-UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
-UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
-UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
-UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
-UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
-UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
-UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
-UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
-UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
-UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
-UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
-UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
-UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
-UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
-UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
-UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
-UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
-UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
-UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
-UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
-UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
-UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
-UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
-UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
-UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
-UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
-UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
-UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
-UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
-UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
-UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
-UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
-UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
-UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
-UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
-UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
-UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
-UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
-UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
-UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
-UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
-UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
-UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
-UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
-UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
-UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
-UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
-UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
-UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
-UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
-UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
-UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
-UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
-UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
-UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
-UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
-UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
-UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
-UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
-UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
-UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
-UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
-UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
-UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
-UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
-UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
-UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
-UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
-UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
-UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
-UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
-UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
-UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
-UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
-UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
-UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
-UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
-UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
-UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
-UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
-UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
-UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
-UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
-UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
-UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
-UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
-UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
-UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
-UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
-UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
-UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
-UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
-UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
-UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
-UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
-UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
-UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
-UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
-UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
-UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
-UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
-UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
-UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
-UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
-UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
-UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
-UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
-UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
-UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
-UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
-UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
-UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
-UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
-UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
-UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
-UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
-UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
-UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
-UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
-UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
-UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
-UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
-UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
-UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
-UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
-UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
-UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
-UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
-UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
-UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
-UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
-UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
-UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
-UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
-UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
-UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
-UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
-UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
-UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
-UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
-UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
-UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
-UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
-UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
-UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
-UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
-UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
-UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
-UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
-UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
-UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
-UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
-UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
-UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
-UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
-UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
-UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
-UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
-UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
-UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
-UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
-UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
-UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
-UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
-UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
-UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
-UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
-UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
-UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
-UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
-UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
-UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
-UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
-UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
-UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
-UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
-UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
-UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
-UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
-UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
-UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
-UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
-UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
-UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
-UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
-UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
-UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
-UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
-UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
-UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
-UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
-UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
-UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
-UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
-UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
-UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
-UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
-UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
-UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
-UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
-UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
-UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
-UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
-UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
-UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
-UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
-UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
-UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
-UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
-UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
-UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
-UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
-UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
-UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
-UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
-UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
-UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
-UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
-UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
-UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
-UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
-UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
-UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
-UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
-UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
-UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
-UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
-UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
-UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
-UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
-UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
-UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
-UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
-UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
-UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
-UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
-UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
-UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
-UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
-UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
-UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
-UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
-UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
-UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
-UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
-UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
-UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
-UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
-UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
-UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
-UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
-UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
-UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
-UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
-UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
-UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
-UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
-UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
-UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
-UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
-UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
-UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
-UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
-UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
-UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
-UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
-UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
-UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
-UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
-UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
-UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
-UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
-UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
-UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
-UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
-UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
-UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
-UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
-UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
-UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
-UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
-UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
-UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
-UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
-UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
-UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
-UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
-UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
-UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
-UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
-UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
-UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
-UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
-UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
-UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
-UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
-UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
-UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
-UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
-UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
-UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
-UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
-UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
-UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
-UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
-UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
-UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
-UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
-UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
-UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
-UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
-UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
-UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
-UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
-UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
-UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
-UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
-UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
-UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
-UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
-UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
-UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
-UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
-UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
-UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
-UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
-UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
-UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
-UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
-UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
-UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
-UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
-UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
-UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
-UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
-UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
-UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
-UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
-UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
-UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
-UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
-UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
-UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
-UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
-UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
-UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
-UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
-UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
-UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
-UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
-UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
-UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
-UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
-UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
-UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
-UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
-UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
-UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
-UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
-UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
-UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
-UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
-UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
-UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
-UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
-UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
-UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
-UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
-UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
-UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
-UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
-UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
-UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
-UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
-UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
-UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
-UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
-UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
-UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
-UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
-UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
-UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
-UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
-UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
-UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
-UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
-UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
-UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
-UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
-UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
-UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
-UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
-UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
-UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
-UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
-UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
-UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
-UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
-UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
-UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
-UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
-UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
-UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
-UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
-UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
-UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
-UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
-UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
-UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
-UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
-UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
-UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
-UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
-UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
-UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
-UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
-UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
-UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
-UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
-UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
-UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
-UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
-UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
-UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
-UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
-UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
-UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
-UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
-UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
-UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
-UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
-UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
-UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
-UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
-UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
-UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
-UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
-UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
-UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
-UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
-UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
-UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
-UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
-UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
-UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
-UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
-UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
-UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
-UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
-UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
-UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
-UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
-UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
-UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
-UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
-UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
-UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
-UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
-UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
-UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
-UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
-UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
-UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
-UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
-UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
-UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
-UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
-UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
-UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
-UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
-UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
-UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
-UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
-UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
-UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/hyperparameter_tuning/config.yml b/tests/hyperparameter_tuning/config.yml
deleted file mode 100644
index 90a43ae..0000000
--- a/tests/hyperparameter_tuning/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.6604835948084654
-beta_2: 0.24248988924407278
-decay: 0.9336387816411169
-epochs: 1000
-epsilon: 0.4168771003737717
-hidden_layers:
-- - 34
-  - relu
-- - 25
-  - relu
-learning_rate: 0.2538752822891618
-output_activation: linear
diff --git a/tests/hyperparameter_tuning/test.py b/tests/hyperparameter_tuning/test.py
deleted file mode 100644
index 7652a5c..0000000
--- a/tests/hyperparameter_tuning/test.py
+++ /dev/null
@@ -1,24 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def tune(num_processes, shuffle=None, split=[0.7, 0.2, 0.1], validate=True,
-         eval_set=None, eval_fn='rmse'):
-
-    logger.stream_level = 'debug'
-    sv = Server(num_processes=num_processes)
-    sv.load_data('cn_model_v1.0.csv', random=True, split=split)
-    sv.tune_hyperparameters(2, 2, shuffle=shuffle, split=split,
-                            validate=validate, eval_set=eval_set,
-                            eval_fn=eval_fn)
-
-
-if __name__ == '__main__':
-
-    tune(1)
-    tune(1, validate=False)
-    tune(4)
-    tune(1, 'all')
-    tune(1, 'train')
-    tune(1, eval_set='test')
-    tune(1, eval_set='test', eval_fn='mean_abs_error')
diff --git a/tests/limit_inputs/cn_model_v1.0.csv b/tests/limit_inputs/cn_model_v1.0.csv
deleted file mode 100644
index b86906e..0000000
--- a/tests/limit_inputs/cn_model_v1.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
-DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
-UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
-UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
-UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
-UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
-UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
-UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
-UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
-UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
-UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
-UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
-UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
-UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
-UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
-UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
-UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
-UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
-UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
-UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
-UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
-UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
-UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
-UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
-UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
-UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
-UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
-UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
-UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
-UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
-UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
-UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
-UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
-UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
-UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
-UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
-UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
-UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
-UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
-UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
-UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
-UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
-UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
-UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
-UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
-UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
-UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
-UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
-UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
-UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
-UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
-UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
-UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
-UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
-UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
-UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
-UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
-UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
-UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
-UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
-UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
-UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
-UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
-UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
-UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
-UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
-UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
-UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
-UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
-UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
-UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
-UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
-UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
-UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
-UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
-UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
-UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
-UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
-UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
-UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
-UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
-UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
-UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
-UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
-UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
-UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
-UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
-UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
-UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
-UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
-UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
-UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
-UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
-UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
-UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
-UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
-UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
-UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
-UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
-UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
-UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
-UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
-UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
-UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
-UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
-UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
-UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
-UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
-UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
-UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
-UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
-UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
-UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
-UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
-UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
-UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
-UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
-UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
-UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
-UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
-UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
-UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
-UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
-UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
-UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
-UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
-UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
-UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
-UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
-UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
-UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
-UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
-UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
-UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
-UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
-UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
-UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
-UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
-UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
-UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
-UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
-UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
-UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
-UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
-UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
-UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
-UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
-UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
-UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
-UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
-UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
-UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
-UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
-UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
-UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
-UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
-UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
-UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
-UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
-UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
-UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
-UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
-UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
-UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
-UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
-UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
-UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
-UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
-UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
-UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
-UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
-UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
-UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
-UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
-UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
-UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
-UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
-UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
-UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
-UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
-UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
-UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
-UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
-UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
-UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
-UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
-UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
-UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
-UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
-UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
-UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
-UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
-UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
-UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
-UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
-UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
-UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
-UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
-UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
-UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
-UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
-UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
-UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
-UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
-UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
-UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
-UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
-UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
-UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
-UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
-UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
-UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
-UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
-UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
-UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
-UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
-UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
-UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
-UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
-UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
-UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
-UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
-UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
-UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
-UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
-UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
-UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
-UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
-UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
-UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
-UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
-UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
-UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
-UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
-UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
-UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
-UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
-UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
-UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
-UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
-UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
-UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
-UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
-UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
-UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
-UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
-UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
-UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
-UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
-UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
-UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
-UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
-UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
-UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
-UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
-UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
-UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
-UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
-UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
-UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
-UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
-UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
-UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
-UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
-UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
-UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
-UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
-UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
-UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
-UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
-UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
-UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
-UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
-UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
-UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
-UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
-UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
-UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
-UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
-UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
-UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
-UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
-UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
-UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
-UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
-UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
-UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
-UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
-UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
-UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
-UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
-UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
-UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
-UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
-UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
-UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
-UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
-UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
-UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
-UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
-UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
-UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
-UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
-UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
-UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
-UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
-UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
-UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
-UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
-UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
-UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
-UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
-UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
-UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
-UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
-UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
-UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
-UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
-UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
-UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
-UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
-UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
-UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
-UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
-UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
-UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
-UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
-UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
-UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
-UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
-UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
-UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
-UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
-UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
-UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
-UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
-UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
-UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
-UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
-UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
-UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
-UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
-UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
-UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
-UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
-UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
-UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
-UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
-UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
-UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
-UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
-UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
-UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
-UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
-UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
-UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
-UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
-UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
-UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
-UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
-UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
-UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
-UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
-UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
-UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
-UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
-UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
-UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
-UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
-UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
-UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
-UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
-UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
-UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
-UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
-UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
-UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
-UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
-UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
-UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
-UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
-UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
-UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
-UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
-UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
-UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
-UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
-UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
-UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
-UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
-UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
-UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
-UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
-UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
-UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
-UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
-UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
-UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
-UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
-UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
-UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
-UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
-UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
-UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
-UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
-UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
-UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
-UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
-UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
-UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
-UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
-UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
-UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
-UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
-UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
-UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
-UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
-UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
-UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
-UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
-UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
-UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
-UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
-UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
-UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
-UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
-UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
-UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
-UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
-UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
-UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
-UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
-UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
-UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
-UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
-UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
-UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
-UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
-UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
-UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
-UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
-UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
-UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
-UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
-UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
-UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
-UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
-UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
-UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
-UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
-UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
-UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
-UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
-UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
-UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
-UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
-UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
-UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
-UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
-UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
-UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
-UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
-UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
-UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
-UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
-UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
-UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
-UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
-UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
-UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
-UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
-UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
-UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
-UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
-UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
-UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
-UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
-UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
-UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
-UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
-UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
-UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
-UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
-UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/limit_inputs/config.yml b/tests/limit_inputs/config.yml
deleted file mode 100644
index c122a26..0000000
--- a/tests/limit_inputs/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.9
-beta_2: 0.999
-decay: 0.0
-epochs: 1000
-epsilon: 1.0e-07
-hidden_layers:
-- - 32
-  - relu
-- - 32
-  - relu
-learning_rate: 0.001
-output_activation: linear
diff --git a/tests/limit_inputs/limited_inputs.csv b/tests/limit_inputs/limited_inputs.csv
deleted file mode 100644
index baa38f8..0000000
--- a/tests/limit_inputs/limited_inputs.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","GROUP","TARGET","INPUT","INPUT","INPUT"
-"DATAID","ASSIGNMENT","Compound Group","CG2","Compound Name","SMILES","Formula","Source","Method","Null","CN (Exp)","PHI","BIC1","RDF035v"
-"UMLCN0001","L","Cyclic Ethers","Aromatics","5,5'-(furan-2-ylmethylene)bis(2-methylfuran)","CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C","C15H14O3","Kessler (2017)","IQT","0","25.5","2.878","0.505","5.834"
-"UMLCN0002","L","Cyclic Ethers","Aromatics","2-butylfuran","CCCCC1=CC=CO1","C8H12O","Marquardt (2015)","IQT","0","13.1","2.525","0.575","0.716"
-"UMLCN0003","L","Cyclic Ethers","","tetrahydropyran","C1CCOCC1","C5H10O","Marquardt (2015)","IQT","0","38.2","1.507","0.375","1.43"
-"UMLCN0004","L","Cyclic Ethers","Aromatics","2,5-dimethylfuran","CC1=CC=C(C)O1","C6H8O","Marquardt (2015)","IQT","0","10.9","0.989","0.567","0.431"
-"UMLCN0005","L","Cyclic Ethers","Olefins","2,5-dihydrofuran","C1C=CCO1","C4H6O","Marquardt (2015)","IQT","0","15.6","0.712","0.61","0.13"
-"UMLCN0006","L","Cyclic Ethers","Aromatics","tris(5-methylfuran-2-yl)methane","CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C","C16H16O3","Kessler (2017)","IQT","0","22.3","3.109","0.471","6.021"
-"UMLCN0007","L","Cyclic Ethers","","2-butyltetrahydrofuran","CCCCC1CCCO1","C8H16O","Marquardt (2015)","IQT","0","45.5","3.055","0.349","0.733"
-"UMLCN0008","L","Cyclic Ethers","","tris(5-methyltetrahydrofuran-2-yl)methane","CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3","C16H28O3","Kessler (2017)","IQT","0","59.8","4.16","0.326","4.84"
-"UMLCN0009","L","Cyclic Ethers","","5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)","CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3","C15H26O3","Kessler (2017)","IQT","0","60.4","3.924","0.346","5.209"
-"UMLCN0010","L","Cyclic Ethers","Aromatics","furfuryl alcohol","C1=COC(=C1)CO","C5H6O2","NREL (2014)","IQT","0","10.3","1.245","0.766","0.349"
-"UMLCN0011","L","Cyclic Ethers","Olefins","3,4-dihydro-2H-pyran","C1CC=COC1","C5H8O","Marquardt (2015)","IQT","0","23.9","1.28","0.654","1.127"
-"UMLCN0012","L","Cyclic Ethers","","eucalyptol","CC1(C2CCC(O1)(CC2)C)C","C10H18O","Marquardt (2015)","IQT","0","18.8","1.387","0.359","7.895"
-"UMLCN0013","L","Cyclic Ethers","","2-methyltetrahydrofuran","CC1CCCO1","C5H10O","NREL (2014)","IQT","0","21.3","1.105","0.45","0.729"
-"UMLCN0014","L","Cyclic Ethers","Olefins","2,3-dihydrofuran","C1COC=C1","C4H6O","Marquardt (2015)","IQT","0","20","0.712","0.711","0.19"
-"UMLCN0015","L","Cyclic Ethers","Aromatics","2-ethylfuran","CCC1=CC=CO1","C6H8O","Marquardt (2015)","IQT","0","10.2","1.273","0.65","0.661"
-"UMLCN0016","L","Cyclic Ethers","","tetrahydrofuran","C1CCOC1","C4H8O","Marquardt (2015)","IQT","0","21.9","0.893","0.418","0.125"
-"UMLCN0017","L","Alkanes","","7-butyltridecane","CCCCCCC(CCCC)CCCCCC","C17H36 ","NREL (2014)","Unknown","0","36","14.063","0.214","2.364"
-"UMLCN0018","L","Cyclic Ethers","Olefins","rose oxide","CC1CCOC(C1)C=C(C)C","C10H18O","NREL (2014)","IQT","0","30","3.128","0.474","4.93"
-"UMLCN0019","L","Cyclic Ethers","","2-ethyltetrahydrofuran","CCC1CCCO1","C6H12O","Marquardt (2015)","IQT","0","28.1","1.688","0.408","0.733"
-"UMLCN0020","L","Alkanes","","2,7-dimethyl-4,5-diethyloctane","CCC(CC(C)C)C(CC)CC(C)C","C14H30","NREL (2014)","Unknown","0","39","7.313","0.258","9.092"
-"UMLCN0021","L","Cyclic Ethers","Aromatics","2-methylfuran","CC1=CC=CO1","C5H6O","NREL (2014)","IQT","0","9","0.766","0.681","0.241"
-"UMLCN0022","L","Cycloalkenes","Olefins","bisabolene","CC1=CCC(=C(C)CCC=C(C)C)CC1","C15H24","NREL (2014)","IQT","0","32.2","4.873","0.381","8.04"
-"UMLCN0023","L","Cycloalkenes","Olefins","limonene","CC1=CCC(CC1)C(=C)C","C10H16","Marquardt (2015)","IQT","0","18.9","2.311","0.507","5.955"
-"UMLCN0024","L","Olefins","Cyclic","beta-pinene","CC1(C2CCC(=C)C1C2)C","C10H16","NREL (2014)","IQT","0","21.3","1.073","0.503","8.475"
-"UMLCN0025","L","Cycloalkenes","","alpha-pinene","CC1=CCC2CC1C2(C)C","C10H16","NREL (2014)","IQT","0","23.1","1.073","0.493","6.278"
-"UMLCN0026","L","Alcohols","Olefins","beta-citronellol","CC(CCC=C(C)C)CCO","C10H20O","Marquardt (2015)","IQT","0","25.6","6.24","0.485","3.61"
-"UMLCN0027","L","Alcohols","Olefins","Linolenyl alcohol ","CCC=CCC=CCC=CCCCCCCCCO","C18H32O","NREL (2014)","Other Ignition Delay Method","0","41","16.442","0.42","7.11"
-"UMLCN0028","L","Alcohols","Ethers","3-methoxy-3-methyl-1-butanol","CC(C)(CCO)OC","C6H14O2","Marquardt (2015)","IQT","0","10","3.02","0.497","1.761"
-"UMLCN0029","L","Alcohols","","3,7-dimethyl-1-octanol","CC(C)CCCC(C)CCO","C10H22O","Marquardt (2015)","IQT","0","29.3","6.634","0.36","2.733"
-"UMLCN0030","L","Alcohols","","methanol","CO","CH4O","NREL (2014)","Unknown","0","5","0.981","0","0"
-"UMLCN0031","L","Cyclic Ethers","Alcohols","tetrahydrofurfuryl alcohol","C1CC(OC1)CO","C5H10O2","Marquardt (2015)","IQT","0","17.9","1.655","0.532","0.371"
-"UMLCN0032","L","Alcohols","","isobutanol","CC(C)CO","C4H10O","NREL (2014)","IQT","0","8.5","2.196","0.492","1.26"
-"UMLCN0033","L","Alcohols","","2-nonanol","CCCCCCCC(C)O","C9H20O","NREL (2014)","IQT","0","39.6","7.045","0.336","0.525"
-"UMLCN0034","L","Alcohols","","2-butanol","CCC(C)O","C4H10O","NREL (2014)","IQT","0","8.5","2.196","0.492","0.634"
-"UMLCN0035","L","Alcohols","Olefins","oleyl alcohol","CCCCCCCCC=CCCCCCCCCO","C18H36O","NREL (2014)","Other Ignition Delay Method","0","51","17.423","0.322","2.866"
-"UMLCN0036","L","Alcohols","","pentan-1-ol","CCCCCO","C5H12O","NREL (2014)","CFR","0","18.2","4.929","0.438","0.342"
-"UMLCN0037","L","Alcohols","","nonan-1-ol","CCCCCCCCCO","C9H20O","NREL (2014)","CFR","0","45","8.926","0.321","0.342"
-"UMLCN0038","L","Alcohols","Olefins","palmitoleyl alcohol","CCCCCCC=CCCCCCCCCO","C16H32O","NREL (2014)","Other Ignition Delay Method","0","46","15.425","0.345","2.866"
-"UMLCN0039","L","Alcohols","","1-heptanol","CCCCCCCO","C7H16O","NREL (2014)","IQT","0","29","6.927","0.367","0.342"
-"UMLCN0040","L","Alcohols","","1-decanol","CCCCCCCCCCO","C10H22O","NREL (2014)","CFR","0","50","9.926","0.304","0.342"
-"UMLCN0041","L","Alcohols","Cyclic","cyclohexanol","C1CCC(CC1)O","C6H12O","Marquardt (2015)","IQT","0","16.3","1.688","0.385","2.389"
-"UMLCN0042","L","Alcohols","","hexan-1-ol","CCCCCCO","C6H14O","NREL (2014)","CFR","0","23.3","5.928","0.398","0.342"
-"UMLCN0043","L","Alcohols","","tetradecan-1-ol","CCCCCCCCCCCCCCO","C14H30O","NREL (2014)","CFR","0","80.8","13.925","0.257","0.342"
-"UMLCN0044","L","Alcohols","Olefins","linoleyl alcohol","CCCCCC=CCC=CCCCCCCCCO","C18H34O","NREL (2014)","Other Ignition Delay Method","0","44","16.929","0.381","5.014"
-"UMLCN0045","L","Alcohols","","2-ethyl-1-hexanol","CCCCC(CC)CO","C8H18O","NREL (2014)","IQT","0","23.5","6.06","0.385","1.856"
-"UMLCN0046","L","Alcohols","","Isopentanol ","CC(C)CCO","C5H12O","NREL (2014)","IQT","0","13.1","3.142","0.476","1.439"
-"UMLCN0047","L","Alcohols","","1-propanol","CCCO","C3H8O","NREL (2014)","Unknown","0","12","2.932","0.563","0.342"
-"UMLCN0048","L","Alcohols","","1-butanol","CCCCO","C4H10O","NREL (2014)","IQT","0","12","3.93","0.492","0.342"
-"UMLCN0049","L","Alcohols","Olefins","nerolidol","CC(=CCCC(=CCCC(C)(C=C)O)C)C","C15H26O","Marquardt (2015)","IQT","0","19.2","7.073","0.489","8.441"
-"UMLCN0050","L","Alcohols","","1-octanol","CCCCCCCCO","C8H18O","NREL (2014)","CFR","0","39.1","7.927","0.342","0.342"
-"UMLCN0051","L","Alcohols","","octan-3-ol","CCCCCC(O)CC","C8H18O","NREL (2014)","IQT","0","25","6.06","0.357","0.542"
-"UMLCN0052","L","Alcohols","Olefins","linalool","CC(=CCCC(C)(C=C)O)C","C10H18O","NREL (2014)","IQT","0","16.5","4.126","0.568","5.824"
-"UMLCN0053","L","Alcohols","","hexadecan-1-ol","CCCCCCCCCCCCCCCCO","C16H34O","NREL (2014)","Other Ignition Delay Method","0","68","15.924","0.242","0.342"
-"UMLCN0054","L","Alcohols","","dodecan-1-ol","CCCCCCCCCCCCO","C12H26O","NREL (2014)","CFR","0","63.6","11.925","0.278","0.342"
-"UMLCN0055","L","Alcohols","","2-methyl-2-butanol","CCC(C)(C)O","C5H12O","Marquardt (2015)","IQT","0","12.1","1.596","0.438","1.726"
-"UMLCN0056","L","Alcohols","","undecan-1-ol","CCCCCCCCCCCO","C11H24O","NREL (2014)","CFR","0","53","10.925","0.29","0.342"
-"UMLCN0057","L","Alcohols","Cyclic","cyclopentanol","C1CCC(C1)O","C5H10O","Marquardt (2015)","IQT","0","9.8","1.105","0.429","1.047"
-"UMLCN0058","L","Alcohols","Olefins","geraniol","CC(=CCCC(=CCO)C)C","C10H18O","NREL (2014)","IQT","0","19.3","5.858","0.489","3.945"
-"UMLCN0059","L","Alcohols","","ethanol","CCO","C2H6O","NREL (2014)","IQT","0","11","1.936","0.627","0.136"
-"UMLCN0060","L","Aldehydes","","octanal","CCCCCCCC=O","C8H16O","Marquardt (2015)","IQT","0","102.5","7.398","0.395","0.611"
-"UMLCN0061","L","Aldehydes","","hexanal","CCCCCC=O","C6H12O","Marquardt (2015)","IQT","0","75.2","5.412","0.47","0.611"
-"UMLCN0062","L","Aldehydes","","pentanal","CCCCC=O","C5H10O","NREL (2014)","IQT","0","65.1","4.422","0.523","0.611"
-"UMLCN0063","L","Aldehydes","","butanal","CCCC=O","C4H8O","Marquardt (2015)","IQT","0","41.1","3.437","0.591","0.612"
-"UMLCN0064","L","Aldehydes","Cycloalkenes","3-cyclohexene-1-carboxaldehyde","C1CC(CC=C1)C=O","C7H10O","Marquardt (2015)","IQT","0","28.1","1.843","0.6","2.763"
-"UMLCN0065","L","Aldehydes","","isobutyraldehyde","CC(C)C=O","C4H8O","Marquardt (2015)","IQT","0","21.1","1.821","0.55","1.199"
-"UMLCN0066","L","Aromatics","Ethers","dibenzylether","C1=CC=C(C=C1)COCC2=CC=CC=C2","C14H14O","Marquardt (2015)","IQT","0","8.1","3.528","0.416","1.359"
-"UMLCN0067","L","Aromatics","Acetals","benzaldehyde dimethyl acetal","COC(C1=CC=CC=C1)OC","C9H12O2","Marquardt (2015)","IQT","0","10.4","3.08","0.529","1.628"
-"UMLCN0068","L","Aromatics","","2,6-dimethylnaphthalene","CC1=CC2=C(C=C1)C=C(C=C2)C","C12H12","NREL (2014)","20% Blend, CFR","0","-7","1.614","0.486","1.378"
-"UMLCN0069","L","Aromatics","","tert-butylbenzene","CC(C)(C)C1=CC=CC=C1","C10H14","Creton (2011)","Unknown","0","-1","1.797","0.469","4.744"
-"UMLCN0070","L","Aromatics","Ethers","4-methoxybenzaldehyde","COC1=CC=C(C=C1)C=O","C8H8O2","Marquardt (2015)","IQT","0","25.8","2.185","0.632","1.476"
-"UMLCN0071","L","Aromatics","","n-hexylbenzene","CCCCCCC1=CC=CC=C1","C12H18","NREL (2014)","Unknown","0","26","4.514","0.449","1.018"
-"UMLCN0072","L","Aromatics","","1-methylnaphthalene","CC1=CC=CC2=CC=CC=C12","C11H10","NREL (2014)","CFR","0","0","1.392","0.46","1.422"
-"UMLCN0073","L","Aromatics","Olefins","2-phenylundec-2-ene","CC(=CCCCCCCCC)C1=CC=CC=C1","C17H26","Creton (2011)","Unknown","0","23","7.457","0.437","4.138"
-"UMLCN0074","L","Aromatics","","2-octylnaphthalene","CCCCCCCCC1=CC2=CC=CC=C2C=C1","C18H24","NREL (2014)","Unknown","0","18","5.26","0.426","1.751"
-"UMLCN0075","L","Aromatics","","1,3-xylene","CC1=CC(=CC=C1)C","C8H10","NREL (2014)","IQT","0","7","1.336","0.5","0.603"
-"UMLCN0076","L","Aromatics","","2-methyl-2-phenylheptadecane","CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C24H42","NREL (2014)","Unknown","0","39","11.965","0.31","4.982"
-"UMLCN0077","L","Aromatics","","4-isopropyltoluene","CC1=CC=C(C=C1)C(C)C","C10H14","NREL (2014)","20% Blend, CFR","0","4","2.103","0.498","3.703"
-"UMLCN0078","L","Aromatics","","2-tert-butylnaphthalene","CC(C)(C)C1=CC2=CC=CC=C2C=C1","C14H16","NREL (2014)","Unknown","0","3","2.069","0.466","5.414"
-"UMLCN0079","L","Aromatics","","n-heptylbenzene","CCCCCCCC1=CC=CC=C1","C13H20","NREL (2014)","Unknown","0","35","5.315","0.428","1.02"
-"UMLCN0080","L","Aromatics","Cyclic","n-octyltetralin","CCCCCCCCC1CCCC2=CC=CC=C12","C18H28","NREL (2014)","Unknown","0","18","5.771","0.376","2.428"
-"UMLCN0081","L","Aromatics","","1,2-diphenylethane","C1=CC=C(C=C1)CCC2=CC=CC=C2","C14H14","NREL (2014)","CFR","0","1","2.971","0.391","1.592"
-"UMLCN0082","L","Aromatics","","3-ethyl-3-(beta-naphthyl)nonane","C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2","C21H30","NREL (2014)","Unknown","0","13","5.847","0.401","11.493"
-"UMLCN0083","L","Aromatics","","sec-butylbenzene","CCC(C)C1=CC=CC=C1","C10H14","NREL (2014)","20% Blend, CFR","0","6","2.495","0.493","3.981"
-"UMLCN0084","L","Aromatics","","2-methyl-2-(beta-naphthyl)hexane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C17H22","NREL (2014)","Unknown","0","10","3.516","0.45","5.653"
-"UMLCN0085","L","Aromatics","","2-methyl-2-(beta-naphthyl)decane","C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C21H30","NREL (2014)","Unknown","0","18","5.847","0.401","5.653"
-"UMLCN0086","L","Aromatics","","1,3-diethylbenzene","CCC1=CC(=CC=C1)CC","C10H14","NREL (2014)","Blend (Percentage? Method?)","0","5","2.495","0.48","1.222"
-"UMLCN0087","L","Aromatics","","1-butylnaphthalene","CCCCC1=CC=CC2=CC=CC=C21","C14H16","NREL (2014)","Unknown","0","6","2.83","0.484","2.437"
-"UMLCN0088","L","Cycloalkanes ","","decalin","C1CCC2CCCCC2C1","C10H18","Heyne (2009)","IQT","0","37.4","1.967","0.247","3.646"
-"UMLCN0089","L","Aromatics","Cyclic","tert-butyltetralin","CC(C)(C)C1CCCC2=CC=CC=C12","C14H20","NREL (2014)","Unknown","0","17","2.383","0.472","4.854"
-"UMLCN0090","L","Aromatics","","2-phenylundecane","CCCCCCCCCC(C)C1=CC=CC=C1","C17H28","NREL (2014)","Unknown","0","51","7.789","0.374","3.923"
-"UMLCN0091","L","Aromatics","","7-phenyltridecane","CCCCCCC(CCCCCC)C1=CC=CC=C1","C19H32","NREL (2014)","Unknown","0","41","9.493","0.349","5.085"
-"UMLCN0092","L","Aromatics","","n-butylbenzene","CCCCC1=CC=CC=C1","C10H14","NREL (2014)","IQT","0","12","3.007","0.493","1.018"
-"UMLCN0093","L","Aromatics","","4-phenyldodecane","CCCCCCCCC(CCC)C1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","42","8.634","0.361","4.649"
-"UMLCN0094","L","Aromatics","Aldehydes","alpha-methyl-trans-cinnamaldehyde","CC(=CC1=CC=CC=C1)C=O","C10H10O","Marquardt (2015)","IQT","0","19.1","2.617","0.57","2.39"
-"UMLCN0095","L","Aromatics","","5-methyl-5-(beta-naphthyl)nonane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC","C20H28","NREL (2014)","Unknown","0","12","5.228","0.413","5.573"
-"UMLCN0096","L","Aromatics","Cyclic","1-butyltetralin","CCCCC1CCCC2=CC=CC=C12","C14H20","Creton (2011)","Unknown","0","18","3.232","0.445","2.433"
-"UMLCN0097","L","Aromatics","","n-nonylbenzene","CCCCCCCCCC1=CC=CC=C1","C15H24","NREL (2014)","Unknown","0","50","6.984","0.393","1.02"
-"UMLCN0098","L","Aromatics","","1,2,4-trimethylbenzene ","CC1=CC(C)=C(C)C=C1","C9H12","NREL (2014)","IQT","0","8.9","1.564","0.464","0.573"
-"UMLCN0099","L","Aromatics","","2-phenyltetradecane","CCCCCCCCCCCCC(C)C1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","49","10.363","0.338","3.923"
-"UMLCN0100","L","Aromatics","Cyclic","tetralin","C1CCC2=CC=CC=C2C1","C10H12","NREL (2014)","IQT","0","8.9","1.463","0.504","2.124"
-"UMLCN0101","L","Cycloalkenes","","cyclohexene","C1CCC=CC1","C6H10","Marquardt (2015)","IQT","0","18.1","1.313","0.489","2.586"
-"UMLCN0102","L","Aromatics","","isopropylbenzene","CC(C)C1=CC=CC=C1","C9H12","Creton (2011)","Unknown","0","15","1.885","0.492","3.765"
-"UMLCN0103","L","Aromatics","","2-phenyloctane","CCCCCCC(C)C1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","33","5.359","0.419","3.923"
-"UMLCN0104","L","Aromatics","Cyclic","1,4-dioctyltetralin","C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC","C26H44","Creton (2011)","Unknown","0","26","11.09","0.299","2.781"
-"UMLCN0105","L","Aromatics","","1,2-dimethylbenzene","CC1=CC=CC=C1C","C8H10","NREL (2014)","CFR","0","8","1.336","0.5","0.627"
-"UMLCN0106","L","Olefins","Cyclic","gamma-terpinene","CC1=CCC(=CC1)C(C)C","C10H16","Marquardt (2015)","IQT","0","20.3","2.311","0.471","5.048"
-"UMLCN0107","L","Aromatics","","2-methyl-2-phenylpentadecane","CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C22H38","Creton (2011)","Unknown","0","39","10.286","0.326","4.977"
-"UMLCN0108","L","Aromatics","Ethers","1,2-dimethoxybenzene","COC1=CC=CC=C1OC","C8H10O2","Marquardt (2015)","IQT","0","13.4","2.427","0.541","0.979"
-"UMLCN0109","L","Aromatics","","diphenylmethane","C1=CC=C(C=C1)CC2=CC=CC=C2","C13H12","NREL (2014)","Unknown","0","11","2.42","0.365","2.418"
-"UMLCN0110","L","Aromatics","","n-dodecylbenzene","CCCCCCCCCCCCC1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","68","9.608","0.351","1.018"
-"UMLCN0111","L","Aromatics","","n-tetradecylbenzene","CCCCCCCCCCCCCCC1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","72","11.413","0.329","1.018"
-"UMLCN0112","L","Olefins","Cyclic","1,5-cyclooctadiene","C1CC=CCCC=C1","C8H12","Marquardt (2015)","IQT","0","25.7","2.441","0.431","7.001"
-"UMLCN0113","L","Ethers","","Dimethyl ether","COC","C2H6O","NREL (2014)","Unknown","0","67","1.936","0.408","0.079"
-"UMLCN0114","L","Esters","Olefins","isopropyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC(C)C","C21H40O2","NREL (2014)","Other Ignition Delay Method","0","86.6","17.246","0.332","3.582"
-"UMLCN0115","L","Ethers","","1-methoxyhexane","CCCCCCOC","C7H16O","Marquardt (2015)","IQT","0","99.8","6.927","0.35","0.27"
-"UMLCN0116","L","Ethers","","diisoamyl ether","CC(C)CCOCCC(C)C","C10H22O","NREL (2014)","IQT","0","96.2","6.634","0.329","2.655"
-"UMLCN0117","L","Esters","Olefins","2-ethylhexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC","C26H50O2","NREL (2014)","Other Ignition Delay Method","0","88","22.159","0.305","4.761"
-"UMLCN0118","L","Ethers","Cyclic","cyclopentyl methyl ether","COC1CCCC1","C6H12O","Marquardt (2015)","IQT","0","47.3","1.688","0.368","0.903"
-"UMLCN0119","L","Esters","","2-ethylhexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C24H48O2","NREL (2014)","Other Ignition Delay Method","0","98","20.649","0.255","2.238"
-"UMLCN0120","L","Esters","","methyl octanoate","CCCCCCCC(=O)OC","C9H18O2","NREL (2014)","CFR","0","33.6","7.484","0.385","0.234"
-"UMLCN0121","L","Esters","Olefins","propyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCC","C21H40O2","NREL (2014)","Blend","0","72","18.897","0.326","3.008"
-"UMLCN0122","L","Ethers","Alcohols","3-(3-methoxypropoxy)propan-1-ol","COCCCOCCCO","C7H16O3","NREL (2014)","IQT","0","43.9","8.779","0.427","0.175"
-"UMLCN0123","L","Ethers","","diisopropyl ether","CC(OC(C)C)C","C6H14O","Marquardt (2015)","IQT","0","23.6","3.011","0.319","2.424"
-"UMLCN0124","L","Esters","","methyl decanoate","CCCCCCCCCC(=O)OC","C11H22O2","Marquardt (2015)","IQT","0","52.7","9.45","0.344","0.234"
-"UMLCN0125","L","Esters","","propyl stearate ","CCCCCCCCCCCCCCCCCC(=O)OCCC","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","80.5","19.371","0.253","0.485"
-"UMLCN0126","L","Esters","","2-butyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)CC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","98","18.68","0.254","1.263"
-"UMLCN0127","L","Esters","","isopropyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)C","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","97","17.698","0.26","1.059"
-"UMLCN0128","L","Acids","","stearic acid","CCCCCCCCCCCCCCCCCC(=O)O","C18H36O2","NREL (2014)","Other Ignition Delay Method","0","62","16.387","0.268","0.257"
-"UMLCN0129","L","Esters","","trimyristin","CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC","C45H86O6","NREL (2014)","Other Ignition Delay Method","0","100","40.771","0.233","1.261"
-"UMLCN0130","L","Esters","Olefins","isobutyl oleate ","CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","60","18.226","0.336","3.917"
-"UMLCN0131","L","Esters","","butyl myristate","CCCCCCCCCCCCCC(=O)OCCCC","C18H36O2","NREL (2014)","CFR","0","69.4","16.387","0.274","0.485"
-"UMLCN0132","L","Esters","","hexyl acetate","CCCCCCOC(=O)C","C8H16O2","NREL (2014)","IQT","0","32.2","6.507","0.411","0.263"
-"UMLCN0133","L","Esters","","trilaurin","CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC","C39H74O6","NREL (2014)","Other Ignition Delay Method","0","100","34.891","0.251","1.261"
-"UMLCN0134","L","Esters","","methyl hexanoate","CCCCCC(=O)OC","C7H14O2","Marquardt (2015)","IQT","0","25.3","5.534","0.442","0.234"
-"UMLCN0135","L","Esters","","methyl valerate","CCCCC(=O)OC","C6H12O","Marquardt (2015)","IQT","0","13.3","4.569","0.479","0.234"
-"UMLCN0136","L","Ethers","","diisobutyl ether","CC(C)COCC(C)C","C8H18O","Marquardt (2015)","IQT","0","59.7","4.783","0.326","2.27"
-"UMLCN0137","L","Esters","","tributyrin","CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC","C15H26O6","NREL (2004)","Other Ignition Delay Method","0","7","11.978","0.41","1.261"
-"UMLCN0138","L","Esters","Olefins","2-butyl oleate","O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","72","18.226","0.324","3.787"
-"UMLCN0139","L","Ethers","Alcohols","triethylene glycol monomethyl ether","COCCOCCOCCO","C7H16O4","NREL (2014)","IQT","0","80.7","9.705","0.39","0.253"
-"UMLCN0140","L","Ethers","","1,6-dimethoxyhexane","COCCCCCCOC","C8H18O2","NREL (2014)","Blend (Method?)","0","88","8.853","0.342","0.091"
-"UMLCN0141","L","Ethers","","1,2-dimethoxyethane","COCCOC","C4H10O2","NREL (2014)","IQT","0","81","4.858","0.396","0.124"
-"UMLCN0142","L","Esters","","ethyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC","C16H32O2","NREL (2014)","CFR","0","67","14.4","0.291","0.293"
-"UMLCN0143","L","Esters","","butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCCC","C20H40O2","NREL (2014)","Blend (5%-7%)","0","89","18.376","0.259","0.485"
-"UMLCN0144","L","Esters","","n-butyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OCCCC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","86","20.367","0.247","0.485"
-"UMLCN0145","L","Esters","Olefins","methyl linolenate","CCC=CCC=CCC=CCCCCCCCC(=O)OC","C19H32O2","NREL (2014)","IQT","0","37","15.99","0.429","7.002"
-"UMLCN0146","L","Esters","","ethyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC","C18H36O2","NREL (2014)","Blend","0","80","16.387","0.274","0.293"
-"UMLCN0147","L","Ethers","Alcohols","2-methoxyethanol","COCCO","C3H8O2","NREL (2014)","IQT","0","15.5","3.861","0.568","0.162"
-"UMLCN0148","L","Esters","","methyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OC","C19H38O2","NREL (2014)","CFR","0","86","17.381","0.257","0.234"
-"UMLCN0149","L","Esters","","butyl butanoate","CCCCOC(=O)CCC","C8H16O2","NREL (2014)","IQT","0","18","6.507","0.421","0.485"
-"UMLCN0150","L","Esters","","methyl dodecanoate","CCCCCCCCCCCC(=O)OC","C13H26O2","NREL (2014)","IQT","0","66.5","11.426","0.314","0.234"
-"UMLCN0151","L","Ethers","","2,2-dimethoxypropane","CC(OC)(OC)C","C5H12O2","Marquardt (2015)","IQT","0","31.3","2.261","0.4","1.293"
-"UMLCN0152","L","Esters","","methyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC","C17H34O2","NREL (2014)","IQT","0","85.9","15.393","0.272","0.234"
-"UMLCN0153","L","Esters","Olefins","methyl sorbate ","CC=CC=CC(=O)OC","C7H10O2","NREL (2014)","IQT","0","6","4.742","0.628","0.298"
-"UMLCN0154","L","Esters","","ethyl decanoate","CCCCCCCCCC(=O)OCC","C12H24O2","NREL (2014)","CFR","0","51","10.437","0.34","0.293"
-"UMLCN0155","L","Esters","Olefins","methyl palmitoleate","CCCCCCC=CCCCCCCCC(=O)OC","C17H32O2","NREL (2014)","IQT","0","56.6","14.928","0.36","2.758"
-"UMLCN0156","L","Esters","","butyl valerate","CCCCC(=O)OCCCC","C9H18O2","Marquardt (2015)","IQT","0","23.5","7.484","0.396","0.485"
-"UMLCN0157","L","Ethers","","acetal","CC(OCC)OCC","C6H14O2","Marquardt (2015)","IQT","0","54.1","5.017","0.373","0.476"
-"UMLCN0158","L","Esters","Olefins","vinyl laurate","CCCCCCCCCCCC(=O)OC=C","C14H26O2","Marquardt (2015)","IQT","0","77","11.961","0.391","1.226"
-"UMLCN0159","L","Ethers","Alcohols","1-butoxy-2-propanol","CCCCOCC(C)O","C7H16O2","NREL (2014)","IQT","0","36.1","5.996","0.449","0.527"
-"UMLCN0160","L","Ethers","","diethylene glycol dimethyl ether","COCCOCCOC","C6H14O3","NREL (2014)","Blend","0","109","7.781","0.351","0.17"
-"UMLCN0161","L","Esters","","sec-butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)CC","C20H40O2","Creton (2011)","Unknown","0","84.8","16.717","0.266","1.263"
-"UMLCN0162","L","Esters","","butyl decanoate","CCCCCCCCCC(=O)OCCCC","C14H28O2","NREL (2014)","CFR","0","55","12.416","0.313","0.485"
-"UMLCN0163","L","Ethers","Olefins","1,4-cyclohexanedimethanol divinyl ether","C=COCC1CCC(CC1)COC=C","C12H20O2","Marquardt (2015)","IQT","0","61.1","5.572","0.49","3.171"
-"UMLCN0164","L","Esters","Olefins","methyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC","C19H36O2","NREL (2014)","CFR","0","56","16.911","0.337","2.758"
-"UMLCN0165","L","Ethers","Olefins","dodecyl vinyl ether","C=COCCCCCCCCCCCC","C14H28O","Marquardt (2015)","IQT","0","101.7","13.428","0.34","0.67"
-"UMLCN0166","L","Ethers","Alcohols","1-methoxy-2-propanol","CC(COC)O","C4H10O2","Marquardt (2015)","IQT","0","16.3","3.085","0.567","0.637"
-"UMLCN0167","L","Esters","","propyl decanoate","CCCCCCCCCC(=O)OCCC","C13H26O2","NREL (2014)","CFR","0","53","11.426","0.325","0.485"
-"UMLCN0168","L","Esters","Olefins","propyl linolenate","CCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C21H36O2","NREL (2014)","Other Ignition Delay Method","0","27","17.966","0.412","7.253"
-"UMLCN0169","L","Esters","","methyl heptanoate","CCCCCCC(=O)OC","C8H16O2","Marquardt (2015)","IQT","0","34.2","6.507","0.411","0.234"
-"UMLCN0170","L","Esters","Olefins","butyl linolenate","CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C22H38O2","NREL (2014)","Other Ignition Delay Method","0","29","18.955","0.401","7.253"
-"UMLCN0171","L","Esters","","ethyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC","C20H40O2","NREL (2014)","CFR","0","76.8","18.376","0.259","0.293"
-"UMLCN0172","L","Esters","Olefins","ethyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC","C20H38O2","NREL (2014)","Other Ignition Delay Method","0","61","17.904","0.336","2.816"
-"UMLCN0173","L","Acids","Olefins","linolenic acid","CCC=CCC=CCC=CCCCCCCCC(=O)O","C18H30O2","NREL (2014)","Other Ignition Delay Method","0","20","15.004","0.45","7.025"
-"UMLCN0174","L","Esters","Olefins","butyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCCC","C22H40O2","NREL (2014)","Other Ignition Delay Method","0","54","19.42","0.367","5.157"
-"UMLCN0175","L","Esters","","ethyl valerate","CCCCC(=O)OCC","C7H14O2","Marquardt (2015)","IQT","0","18.6","5.534","0.449","0.293"
-"UMLCN0176","L","Esters","","propyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCC","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","85","17.381","0.266","0.487"
-"UMLCN0177","L","Esters","","propyl valerate","CCCCC(=O)OCCC","C8H16O","Marquardt (2015)","IQT","0","20.7","6.507","0.421","0.485"
-"UMLCN0178","L","Ethers","","2-ethoxyethyl ether","CCOCCOCCOCC","C8H18O3","NREL (2014)","Other Ignition Delay Method","0","123","9.778","0.312","0.14"
-"UMLCN0179","L","Esters","Cyclic Ethers","tetrahydrofurfuryl acetate","CC(=O)OCC1CCCO1","C7H12O3","Marquardt (2015)","IQT","0","18.2","2.842","0.513","0.543"
-"UMLCN0180","L","Ethers","","1,4-diethoxybutane","CCOCCCCOCC","C8H18O2","NREL (2014)","Blend (Method?)","0","97","8.853","0.342","0.06"
-"UMLCN0181","L","Esters","","methyl tetradecanoate","CCCCCCCCCCCCCC(=O)OC","C15H30O2","Marquardt (2015)","IQT","0","75.8","13.407","0.29","0.234"
-"UMLCN0182","L","Esters","Ketones","ethyl acetoacetate","CCOC(=O)CC(=O)C","C6H10O3","Marquardt (2015)","IQT","0","13.7","3.894","0.554","0.383"
-"UMLCN0183","L","Esters","","isobutyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCC(C)C","C20H40O2","NREL (2014)","Unknown","0","84","16.717","0.28","1.393"
-"UMLCN0184","L","Esters","","isopropyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)C","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","83","15.737","0.273","1.059"
-"UMLCN0185","L","Esters","","ethyl hexanoate","CCCCCC(=O)OCC","C8H16O2","NREL (2014)","IQT","0","27.8","6.507","0.421","0.293"
-"UMLCN0186","L","Ethers","","dibutoxymethane","CCCCOCOCCCC","C9H20O2","NREL (2014)","Unknown","0","74","9.852","0.349","1.302"
-"UMLCN0187","L","Acids","Olefins","oleic acid","CCCCCCCCC=CCCCCCCCC(=O)O","C18H34O2","NREL (2014)","Other Ignition Delay Method","0","46","15.919","0.354","2.78"
-"UMLCN0188","L","Esters","Olefins","propyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCC","C21H38O2","NREL (2014)","Other Ignition Delay Method","0","42.5","18.428","0.377","5.157"
-"UMLCN0189","L","Esters","Ethers","2-ethoxyethyl acetate","CCOCCOC(C)=O","C6H12O3","NREL (2014)","Blend (20%, method?)","0","40","5.473","0.482","0.116"
-"UMLCN0190","L","Esters","Olefins","methyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OC","C19H34O2","NREL (2014)","IQT","0","43.9","16.447","0.393","4.906"
-"UMLCN0191","L","Esters","Cyclic","menthyl acetate","CC1CCC(C(C1)OC(=O)C)C(C)C","C12H22O2","Marquardt (2015)","IQT","0","19.5","4.121","0.393","4.913"
-"UMLCN0192","L","Ethers","","dibutyl ether","CCCCOCCCC","C8H18O","Marquardt (2015)","IQT","0","115.4","7.927","0.326","0.461"
-"UMLCN0193","L","Ethers","Alcohols","Tripropylene glycol monomethyl ether","CC(CO)OCC(C)OCC(C)OC","C10H22O4","NREL (2014)","IQT","0","81.3","8.086","0.405","2.479"
-"UMLCN0194","L","Ethers","","diethoxymethane","CCOCOCC","C5H12O2","Marquardt (2015)","IQT","0","57.3","5.856","0.4","0.889"
-"UMLCN0195","L","Ethers","Alcohols","2-isopropoxyethanol","CC(C)OCCO","C5H12O2","Marquardt (2015)","IQT","0","27.8","4.045","0.488","0.892"
-"UMLCN0196","L","Ethers","Alcohols","dipropylene glycol monomethyl ether","CCC(O)OCCCOC","C7H16O3","Marquardt (2015)","IQT","0","43.9","6.914","0.477","0.331"
-"UMLCN0197","L","Ethers","Alcohols","ethylene glycol vinyl ether","C=COCCO","C6H12O3","Marquardt (2015)","IQT","0","14","4.4","0.723","0.562"
-"UMLCN0198","L","Ethers","Esters","propylene glycol monomethyl ether acetate","CC(COC)OC(=O)C","C6H12O3","Marquardt (2015)","IQT","0","24","4.274","0.534","0.894"
-"UMLCN0199","L","Cyclic Esters","","gamma-undecanolactone","CCCCCCCC1CCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","52.6","5.065","0.36","2.466"
-"UMLCN0200","L","Cyclic Esters","","delta-undecalactone","CCCCCCC1CCCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","48.6","5.065","0.36","2.053"
-"UMLCN0201","L","Cyclic Esters","","epsilon-decalactone","CCCCC1CCCCC(=O)O1","C10H18O2","Marquardt (2015)","IQT","0","40.5","4.303","0.381","2.23"
-"UMLCN0202","L","Cyclic Esters","","whiskey lactone","CCCCC1C(CC(=O)O1)C","C9H16O2","Marquardt (2015)","IQT","0","27.2","3.068","0.444","3.491"
-"UMLCN0203","L","Ketones","Esters","butyl levulinate","CCCCOC(=O)CCC(=O)C","C9H16O3","NREL (2014)","IQT","0","14.4","6.587","0.475","0.304"
-"UMLCN0204","L","Ketones","","3-octanone","CCCCCC(=O)CC","C8H16O","NREL (2014)","IQT","0","36","5.596","0.373","0.399"
-"UMLCN0205","L","Ketones","Cyclic","cycloheptanone","C1CCCC(=O)CC1","C7H12O","Marquardt (2015)","IQT","0","22.5","2.073","0.38","3.65"
-"UMLCN0206","L","Ketones","","2-nonanone","CCCCCCCC(=O)C","C9H18O","Marquardt (2015)","IQT","0","46.1","6.57","0.356","0.537"
-"UMLCN0207","L","Ketones","","4-methyl-2-pentanone","CC(C)CC(=O)C","C6H12O","Marquardt (2015)","IQT","0","12.6","2.655","0.442","1.692"
-"UMLCN0208","L","Ketones","","3-pentanone","CCC(=O)CC","C5H10O","NREL (2014)","IQT","0","14.6","2.733","0.418","0.345"
-"UMLCN0209","L","Ketones","Cyclic","3,3,5-trimethylcyclohexanone","CC1CC(=O)CC(C1)(C)C","C9H16O","Marquardt (2015)","IQT","0","11.9","1.846","0.416","6.395"
-"UMLCN0210","L","Ketones","","2-octanone","CCCCCCC(=O)C","C8H16O","Marquardt (2015)","IQT","0","36.6","5.596","0.38","0.269"
-"UMLCN0211","L","Ketones","Cyclic","menthone","CC1CCC(C(=O)C1)C(C)C","C10H18O","Marquardt (2015)","IQT","0","20.6","2.695","0.401","4.417"
-"UMLCN0212","L","Ketones","Alcohols","4-hydroxy-4-methyl-2-pentanone","CC(=O)CC(C)(C)O","C6H12O2","Marquardt (2015)","IQT","0","11.5","2.167","0.537","1.828"
-"UMLCN0213","L","Ketones","","2,4-dimethyl-3-pentanone","CC(C)C(=O)C(C)C","C7H14O","NREL (2014)","IQT","0","14.4","2.741","0.355","2.442"
-"UMLCN0214","L","Ketones","","cyclohexanone","C1CCC(=O)CC1","C6H10O","Marquardt (2015)","IQT","0","10.4","1.452","0.416","3.778"
-"UMLCN0215","L","Ketones","","2-heptanone","CCCCCC(C)=O","C7H14O","NREL (2014)","IQT","0","30","4.629","0.408","0.269"
-"UMLCN0216","L","Naphthenes","","1-methyl-3-dodecylcyclohexane","CCCCCCCCCCCCC1CCCC(C1)C","C19H38","NREL (2014)","Unknown","0","70","10.587","0.212","4.996"
-"UMLCN0217","L","Naphthenes","","cyclohexyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1","C26H52","Creton (2011)","Unknown","0","66","16.982","0.187","4.599"
-"UMLCN0218","L","Naphthenes","","methylcyclohexane","CC1CCCCC1","C7H14","Marquardt (2015)","IQT","0","24.4","1.722","0.296","2.72"
-"UMLCN0219","L","Naphthenes","","propylcyclohexane","CCCC1CCCCC1","C9H18","Creton (2011)","Unknown","0","52","3.097","0.262","2.86"
-"UMLCN0220","L","Naphthenes","","bicyclohexyl","C1CCC(CC1)C1CCCCC1","C12H22","NREL (2014)","Unknown","0","51","3.076","0.227","4.565"
-"UMLCN0221","L","Naphthenes","","cyclohexane","C1CCCCC1","C6H12","Marquardt (2015)","IQT","0","20","1.543","0.22","2.719"
-"UMLCN0222","L","Naphthenes","","n-butyldecalin","CCCCC1CCCC2C1CCCC2","C14H26","NREL (2014)","Unknown","0","31","3.895","0.246","6.171"
-"UMLCN0223","L","Naphthenes","","1,3,5-trimethylcyclohexane","CC1CC(C)CC(C)C1","C9H18","Marquardt (2015)","IQT","0","30.5","2.151","0.304","2.722"
-"UMLCN0224","L","Naphthenes","","sec-butyldecalin","CCC(C)C1CCCC2C1CCCC2","C14H26","Creton (2011)","Unknown","0","34","3.515","0.264","6.396"
-"UMLCN0225","L","Naphthenes","","2-methyl-2-cyclohexylpentadecane","CCCCCCCCCCCCCC(C)(C)C1CCCCC1","C22H44","Creton (2011)","Unknown","0","45","11.322","0.212","5.005"
-"UMLCN0226","L","Naphthenes","","2-methyl-2-decalyldecane","CCCCCCCCC(C)(C)C1CCCC2CCCCC12","C21H40","Creton (2011)","Unknown","0","37","7.095","0.237","10.27"
-"UMLCN0227","L","Naphthenes","","1,2,4-trimethylcyclohexane","CC1CCC(C(C1)C)C","C9H18","Marquardt (2015)","IQT","0","24.4","2.151","0.304","5.04"
-"UMLCN0228","L","Naphthenes","Aromatics","n-propyltetralin","CCCC1=CC2=C(CCCC2)C=C1","C13H18","NREL (2014)","Unknown","0","8","2.677","0.448","2.42"
-"UMLCN0229","L","Naphthenes","","cyclohexyltetradecane","CCCCCCCCCCCCCCC1CCCCC1","C20H40","Creton (2011)","Unknown","0","57","12.598","0.188","2.86"
-"UMLCN0230","L","Naphthenes","","3-cyclohexylhexane","CCCCCCC1CCCCC1","C12H24","NREL (2014)","Unknown","0","36","5.469","0.23","2.86"
-"UMLCN0231","L","Naphthenes","","tert-butyldecalin","CC(C)(C)C1CCCC2CCCCC12","C14H26","NREL (2014)","Unknown","0","24","2.905","0.287","8.401"
-"UMLCN0232","L","Naphthenes","","n-propyldecalin","CCCC1CCCC2C1CCCC2","C13H24","NREL (2014)","Unknown","0","35","3.293","0.255","6.171"
-"UMLCN0233","L","Naphthenes","","n-butylcyclohexane","CCCCC1CCCCC1","C10H20","NREL (2014)","IQT","0","47.8","3.856","0.25","2.86"
-"UMLCN0234","L","Olefins","","hept-2-ene","CCCCC=CC","C7H14","NREL (2014)","20% Blend, CFR","0","44","5.527","0.469","1.503"
-"UMLCN0235","L","Naphthenes","","ethylcyclohexane","CCC1CCCCC1","C8H16","NREL (2014)","IQT","0","35.8","2.382","0.277","2.918"
-"UMLCN0236","L","Olefins","Cyclic","ethenylcyclohexane","C=CC1CCCCC1","C8H14","Creton (2011)","Unknown","0","38","2.133","0.439","4.859"
-"UMLCN0237","L","Olefins","","1-decene","CCCCCCCCC=C","C10H20","Marquardt (2015)","IQT","0","49.1","8.513","0.39","1.71"
-"UMLCN0238","L","Olefins","","1-hexene","CCCCC=C","C6H12","NREL (2014)","IQT","0","25.8","4.535","0.53","1.709"
-"UMLCN0239","L","Olefins","","2,2,6,6,8,8-hexamethyl-4-methylene-nonane","C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H32","Creton (2011)","Unknown","0","5","4.858","0.329","11.082"
-"UMLCN0240","L","Olefins","","1-heptene","CCCCCC=C","C7H14","NREL (2014)","IQT","0","32","5.527","0.484","1.71"
-"UMLCN0241","L","Olefins","","1-octene","CCCCCCC=C","C8H16","NREL (2014)","IQT","0","40","6.521","0.447","1.71"
-"UMLCN0242","L","Olefins","","1-hexadecene","CCCCCCCCCCCCCCC=C","C16H32","NREL (2014)","IQT","0","75.9","14.501","0.296","1.71"
-"UMLCN0243","L","Alkanes","","9-methylheptadecane","CCCCCCCCC(C)CCCCCCCC","C18H38","NREL (2014)","Unknown","0","66","15.059","0.209","1.743"
-"UMLCN0244","L","Olefins","","diethylene glycol monomethyl ether","OCCOCCOC","C5H12O3","Marquardt (2015)","IQT","0","38.3","6.783","0.452","0.207"
-"UMLCN0245","L","Olefins","","cyclooctane","C1CCCCCCC1","C8H16","NREL (2014)","IQT","0","22.3","3.015","0.2","7.409"
-"UMLCN0246","L","Alkanes","","5-butyldodecane","CCCCCCCC(CCCC)CCCC","C16H34","NREL (2014)","Unknown","0","45","13.067","0.219","2.364"
-"UMLCN0247","L","Olefins","","1-dodecene","CCCCCCCCCCC=C","C12H24","NREL (2014)","IQT","0","56.8","10.508","0.35","1.71"
-"UMLCN0248","L","Olefins","","2-methyl-1,3-butadiene","CC(=C)C=C","C5H8","Marquardt (2015)","IQT","0","13","1.584","0.601","1.38"
-"UMLCN0249","L","Olefins","","7,10-dimethyl-8-hexadecene","CCCCCCC(C)C=CC(C)CCCCCC","C18H36","NREL (2014)","Unknown","0","43","12.988","0.291","6.684"
-"UMLCN0250","L","Olefins","","2,5-dimethyl-2,4-hexadiene","CC(=CC=C(C)C)C","C8H14","Marquardt (2015)","IQT","0","19.9","3.253","0.413","2.116"
-"UMLCN0251","L","Olefins","","1,9-decadiene","C=CCCCCCCC=C","C10H18","Marquardt (2015)","IQT","0","41","8.04","0.456","2.971"
-"UMLCN0252","L","Olefins","","1-nonene","CCCCCCCC=C","C9H18","NREL (2014)","Unknown","0","51","7.517","0.416","1.71"
-"UMLCN0253","L","Olefins","","7-hexyl-7-pentadecene","CCCCCCCC=C(CCCCCC)CCCCCC","C21H42","NREL (2014)","Unknown","0","47","17.571","0.264","3.796"
-"UMLCN0254","L","Olefins","","3-octene","CCCCC=CCC","C8H16","Marquardt (2015)","IQT","0","36","6.521","0.425","2.92"
-"UMLCN0255","L","Alkanes","","2-methyloctadecane","CCCCCCCCCCCCCCCCC(C)C","C19H40","Marquardt (2015)","IQT","0","104","16.056","0.205","1.546"
-"UMLCN0256","L","Alkanes","","2,2-dimethyloctane","CCCCCCC(C)(C)C","C10H22","NREL (2014)","Unknown","0","59","4.76","0.267","2.886"
-"UMLCN0257","L","Alkanes","","2,6,10-trimethyldodecane (aka farnesane)","CCC(C)CCCC(C)CCCC(C)C","C15H32","NREL (2014)","IQT","0","58.6","9.242","0.251","4.201"
-"UMLCN0258","L","Alkanes","","7,8-dimethyltetradecane","CCCCCCC(C)C(C)CCCCCC","C16H34","NREL (2014)","Unknown","0","40","11.484","0.235","2.462"
-"UMLCN0259","L","Alkanes","","3-ethylpentane","CCC(CC)CC","C7H16","Marquardt (2015)","IQT","0","34.1","4.167","0.298","2.49"
-"UMLCN0260","L","Alkanes","","n-hexane","CCCCCC","C6H14","NREL (2014)","IQT","0","47.9","5","0.272","0.449"
-"UMLCN0261","L","Alkanes","","n-heptane","CCCCCCC","C7H16","Marquardt (2015)","IQT","0","52.8","6","0.258","0.449"
-"UMLCN0262","L","Alkanes","","4,5-diethyloctane","CCCC(CC)C(CC)CCC","C12H26","NREL (2014)","Unknown","0","20","7.639","0.261","4.401"
-"UMLCN0263","L","Alkanes","","5-butylnonane","CCCCC(CCCC)CCCC","C13H28","NREL (2014)","Unknown","0","53","10.083","0.237","2.175"
-"UMLCN0264","L","Alkanes","","2-methylheptadecane","CCCCCCCCCCCCCCCC(C)C","C18H38","Marquardt (2015)","IQT","0","91","15.059","0.209","1.546"
-"UMLCN0265","L","Alkanes","","2,2,4,6,6-pentamethylheptane","CC(CC(C)(C)C)CC(C)(C)C","C12H26","NREL (2014)","Unknown","0","9","3.806","0.271","7.414"
-"UMLCN0266","L","Alkanes","","10,13-dimethyldocosane","CCCCCCCCCC(C)CCC(C)CCCCCCCCC","C24H50","Creton (2011)","Unknown","0","56","19.326","0.201","3.037"
-"UMLCN0267","L","Alkanes","","2,2,3-trimethylbutane","CC(C)C(C)(C)C","C7H16","NREL (2014)","IQT","0","12.9","1.852","0.277","3.867"
-"UMLCN0268","L","Alkanes","","2,2-dimethylbutane","CCC(C)(C)C","C6H14","Marquardt (2015)","IQT","0","24.4","1.633","0.296","3.056"
-"UMLCN0269","L","Alkanes","","9,10-dimethyloctadecane","CCCCCCCCC(C)C(C)CCCCCCCC","C20H42","NREL (2014)","Unknown","0","60","15.39","0.216","2.462"
-"UMLCN0270","L","Alkanes","","n-octane","CCCCCCCC","C8H18","NREL (2014)","CFR","0","64","7","0.246","0.449"
-"UMLCN0271","L","Alkanes","","2,6-dimethyloctane","CCC(C)CCCC(C)C","C10H22","Marquardt (2015)","IQT","0","51.7","5.76","0.277","2.907"
-"UMLCN0272","L","Alkanes","","2,2,4,4,6,8,8-heptamethylnonane ","CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H34","NREL (2014)","CFR","0","15","5.104","0.254","11.882"
-"UMLCN0273","L","Alcohols","","octadecan-1-ol","CCCCCCCCCCCCCCCCCCO","C18H38O","NREL (2014)","Other Ignition Delay Method","0","81","17.924","0.229","0.342"
-"UMLCN0274","L","Alkanes","","3-ethyldecane","CCCCCCCC(CC)CC","C12H26","NREL (2014)","Unknown","0","48","9.091","0.245","2.398"
-"UMLCN0275","L","Alkanes","","n-heptadecane","CCCCCCCCCCCCCCCCC","C17H36","NREL (2014)","Unknown","0","105","16","0.188","0.449"
-"UMLCN0276","L","Alkanes","","n-eicosane","CCCCCCCCCCCCCCCCCCCC","C20H42","NREL (2014)","Unknown","0","110","19","0.178","0.449"
-"UMLCN0277","L","Alkanes","","2-methylpentane","CCCC(C)C","C6H14","NREL (2014)","IQT","0","34.5","3.2","0.311","1.549"
-"UMLCN0278","L","Alkanes","","n-tetradecane","CCCCCCCCCCCCCC","C14H30","NREL (2014)","IQT","0","85.1","13","0.201","0.449"
-"UMLCN0279","L","Alkanes","","n-decane","CCCCCCCCCC","C10H22","Marquardt (2015)","IQT","0","65.5","9","0.226","0.449"
-"UMLCN0280","L","Alkanes","","2,5-dimethylundecane","CCCCCCC(C)CCC(C)C","C13H28","NREL (2014)","Unknown","0","58","8.592","0.254","2.84"
-"UMLCN0281","L","Alkanes","","3-methylheptane","CCCCC(C)CC","C8H18O","Marquardt (2015)","IQT","0","45","5.143","0.285","1.801"
-"UMLCN0282","L","Alkanes","","n-nonane","CCCCCCCCC","C9H20","Marquardt (2015)","IQT","0","60.9","8","0.235","0.449"
-"UMLCN0283","L","Alkanes","","2-methylbutane","CCC(C)C","C5H12","NREL (2014)","IQT","0","24.9","2.25","0.319","1.604"
-"UMLCN0284","L","Alkanes","","n-nonadecane","CCCCCCCCCCCCCCCCCCC","C19H40","NREL (2014)","Unknown","0","110","18","0.181","0.449"
-"UMLCN0285","L","Alkanes","","2-methylhexane","CCCCC(C)C","C7H16","NREL (2014)","IQT","0","43.5","4.167","0.298","1.546"
-"UMLCN0286","L","Alkanes","","n-pentane","CCCCC","C5H12 ","NREL (2014)","20% Blend, CFR","0","30","4","0.29","0.449"
-"UMLCN0287","L","Alkanes","","n-pentadecane","CCCCCCCCCCCCCCC","C15H32","NREL (2014)","Unknown","0","96","14","0.196","0.449"
-"UMLCN0288","L","Alkanes","","2-methylheptane","CCCCCC(C)C","C8H18","NREL (2014)","IQT","0","49.8","5.143","0.285","1.546"
-"UMLCN0289","L","Alkanes","","3-methylpentane","CCC(C)CC","C6H14","NREL (2014)","Unknown","0","30","3.2","0.311","1.859"
-"UMLCN0290","L","Alkanes","","4-propyldecane","CCCCCCC(CCC)CCC","C13H28","NREL (2014)","Unknown","0","39","10.083","0.237","2.365"
-"UMLCN0291","L","Alkanes","","n-undecane","CCCCCCCCCCC","C11H24","NREL (2014)","20% Blend, CFR","0","81","10","0.219","0.449"
-"UMLCN0292","L","Alkanes","","n-tridecane","CCCCCCCCCCCCC","C13H28","NREL (2014)","Unknown","0","90","12","0.206","0.449"
-"UMLCN0293","L","Alkanes","","2,2,4-trimethylpentane","CC(C)CC(C)(C)C","C8H18","NREL (2014)","IQT","0","18","2.52","0.294","4.355"
-"UMLCN0294","L","Alkanes","","8-propylpentadecane","CCCCCCCC(CCC)CCCCCCC","C18H38","NREL (2014)","Unknown","0","48","15.059","0.209","2.364"
-"UMLCN0295","L","Alkanes","","2,3-dimethylpentane","CCC(C)C(C)C","C7H16","NREL (2014)","IQT","0","22","3.061","0.293","2.368"
-"UMLCN0296","L","Alkanes","","n-dodecane","CCCCCCCCCCCC","C12H26","NREL (2014)","IQT","0","72.9","11","0.212","0.449"
-"UMLCN0297","L","Alkanes","","2,4-dimethylpentane","CC(C)CC(C)C","C7H16","NREL (2014)","IQT","0","28.6","3.061","0.293","2.578"
-"UMLCN0298","L","Alkanes","","2,2,5-trimethylhexane","CC(C)CCC(C)(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","24","3.24","0.293","3.983"
-"UMLCN0299","L","Alkanes","","9,10-dipropyloctadecane","CCCCCCCCC(CCC)C(CCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","47","19.326","0.201","4.304"
-"UMLCN0300","L","Alkanes","","n-octadecane","CCCCCCCCCCCCCCCCCC","C18H38","NREL (2014)","Unknown","0","106","17","0.185","0.449"
-"UMLCN0301","L","Alkanes","","n-hexadecane","CCCCCCCCCCCCCCCC","C16H34","NREL (2014)","CFR","0","100","15","0.192","0.449"
-"UMLCN0302","L","Alkanes","","5,6-dibutyldecane","CCCCC(CCCC)C(CCCC)CCCC","C18H38","NREL (2014)","Unknown","0","30","13.432","0.225","4.241"
-"UMLCN0303","L","Alkanes","","7-hexylpentadecane","CCCCCCCCC(CCCCCC)CCCCCC","C21H44","NREL (2014)","Unknown","0","83","18.05","0.197","2.175"
-"UMLCN0304","L","Alkanes","","2,9-dimethyl-5,6-diisopentyldecane","CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C","C22H46","NREL (2014)","Unknown","0","48","12.426","0.234","8.765"
-"UMLCN0305","L","Alkanes","","9-heptylheptadecane","CCCCCCCCC(CCCCCCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","88","21.043","0.188","2.364"
-"UMLCN0306","L","Naphthenes","","methylcyclopentane","CC1CCCC1","C6H12","NREL (2014)","IQT","0","17.2","1.134","0.32","1.066"
-"UMLCN0307","L","Naphthenes","","1,3,5-triisopropyl cyclohexane","CC(C)C1CC(CC(C1)C(C)C)C(C)C","C15H30 ","NREL (2014)","IQT","0","25.3","4.674","0.26","8.65"
-"UMLCN0308","L","Naphthenes","","2-methyl-3-cyclohexylnonane","CC(C(CCCCCC)C1CCCCC1)C","C16H32","NREL (2014)","Unknown","0","63","7.158","0.244","5.551"
-"UMLCN0309","L","Naphthenes","","1,2,4-trimethyl-5-hexadecyl cyclohexane","C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C","C25H50","NREL (2014)","Unknown","0","42","13.913","0.213","5.496"
-"UMLCN0310","L","Cycloalkenes","","4-methyl-1-cyclohexene","CC1CCC=CC1","C7H12","Kubic (2016)","Unknown","0","28","1.504","0.505","2.704"
-"UMLCN0311","L","Alkynes","","1-heptyne","CCCCCC#C","C7H12","NREL (2014)","IQT","0","22","5.208","0.462","1.709"
-"UMLCN0312","L","Cycloalkenes","Olefins","4-vinyl-1-cyclohexene","C=CC1CCC=CC1","C8H12","Santana (2006)","Unknown","0","32","1.899","0.543","4.912"
-"UMLCN0313","L","Olefins","","2,4,4-trimethyl-1-pentene","CC(=C)CC(C)(C)C","C8H16","NREL (2014)","IQT","0","8.8","2.265","0.454","4.099"
-"UMLCN0314","L","Olefins","","2-octene","CCCCCC=CC","C8H16","NREL (2014)","20% Blend, CFR","0","43","6.521","0.436","1.504"
-"UMLCN0315","L","Olefins","","2,6-dimethylheptane","CC(C)CCCC(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","51","4.84","0.285","2.643"
-"UMLCN0316","L","Olefins","","1-undecene","CCCCCCCCCC=C","C11H22","NREL (2014)","Unknown","0","65.5","9.51","0.369","1.71"
-"UMLCN0317","L","Olefins","","1-tetradecene","CCCCCCCCCCCCC=C","C14H28","NREL (2014)","Unknown","0","80.9","12.504","0.32","1.71"
-"UMLCN0318","L","Olefins","","2,6,7-trimethyl-2,6-tridecadiene","CCCCCCC(=C(C)CCC=C(C)C)C","C16H30","NREL (2014)","Unknown","0","24","9.374","0.343","6.564"
-"UMLCN0319","L","Olefins","","4-butyl-4-dodecene","CCCC(CCCC)=CCCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","12.6","0.302","4.005"
-"UMLCN0320","L","Olefins","","5-butyl-4-dodecene","CCCC=C(CCCC)CCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","12.6","0.302","3.796"
-"UMLCN0321","L","Olefins","","3,12-diethyl-3,11-tetradecadiene","C(C(CC)=CCCCCCCC=C(CC)CC)C","C18H34","NREL (2014)","Unknown","0","26","12.552","0.332","7.106"
-"UMLCN0322","L","Olefins","","1-octadecene","CCCCCCCCCCCCCCCCC=C","C18H36","NREL (2014)","Unknown","0","90","16.499","0.278","1.709"
-"UMLCN0323","L","Olefins","","9-methyl-9-heptadecene","CCCCCCCCC(C)=CCCCCCCC","C18H36","NREL (2014)","Unknown","0","66","14.586","0.287","3.063"
-"UMLCN0324","L","Olefins","","8-propyl-8-pentadecene","CCCCCCCC(CCC)=CCCCCCC","C18H36","NREL (2014)","Unknown","0","45","14.586","0.285","4.004"
-"UMLCN0325","L","Olefins","","10,13-dimethyl-11-doeicosene","CCCCCCCCCC(C)C=CC(C)CCCCCCCCC","C24H48","NREL (2014)","Unknown","0","56","18.864","0.252","6.684"
-"UMLCN0326","L","Aromatics","","benzene","C1=CC=CC=C1","C6H6","NREL (2014)","CFR","0","14.3","0.914","0.256","0.715"
-"UMLCN0327","L","Aromatics","","toluene","CC1=CC=CC=C1","C7H8","NREL (2014)","IQT","0","6","1.117","0.49","0.659"
-"UMLCN0328","L","Aromatics","","ethyl benzene","CCC1=CC=CC=C1","C8H10","NREL (2014)","IQT","0","6.3","1.681","0.509","0.967"
-"UMLCN0329","L","Aromatics","","1,4-dimethylbenzene","CC1=CC=C(C=C1)C","C8H10","NREL (2014)","IQT","0","6.2","1.336","0.5","0.603"
-"UMLCN0330","V","Aromatics","","1,3,5-trimethylbenzene","CC1=CC(=CC(=C1)C)C","C9H12","NREL (2014)","80% Blend, IQT","0","8","1.564","0.464","0.546"
-"UMLCN0331","V","Aromatics","","n-propylbenzene","CCCC1=CC=CC=C1","C9H12","NREL (2014)","80% Blend, IQT","0","16","2.316","0.513","1.018"
-"UMLCN0332","V","Aromatics","","1,2,4,5-tetramethylbenzene","CC1=C(C(=C(C=C1)C)C)C","C10H14","NREL (2014)","20% Blend, CFR","0","1","1.797","0.412","0.573"
-"UMLCN0333","V","Aromatics","","naphthalene","C1=CC=C2C=CC=CC2=C1","C10H8O","NREL (2014)","5%–7% Blend, CFR","0","22","1.176","0.302","1.473"
-"UMLCN0334","V","Aromatics","","2-methylnaphthalene","CC1=CC2=CC=CC=C2C=C1","C11H10","NREL (2014)","20% Blend, CFR","0","6","1.392","0.46","1.428"
-"UMLCN0335","V","Aromatics","","n-pentylbenzene","CCCCCC1=CC=CC=C1","C11H16","NREL (2014)","Blend","0","18","3.743","0.471","1.02"
-"UMLCN0336","V","Aromatics","","biphenyl","C1=CC=C(C=C1)C2=CC=CC=C2","C12H10","NREL (2014)","5%–7% Blend, CFR","0","12","1.911","0.278","1.381"
-"UMLCN0337","V","Aromatics","","m-diisopropylbenzene","CC(C)C1=CC(=CC=C1)C(C)C","C12H18","NREL (2014)","CFR","0","-3","2.91","0.435","6.813"
-"UMLCN0338","V","Aromatics","","n-octylbenzene","CCCCCCCCC1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","37.5","6.139","0.409","1.018"
-"UMLCN0339","V","Aromatics","","1,3,5-triisopropylbenzene","CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C","C15H24","NREL (2014)","Blend, IQT","0","2.8","3.957","0.377","9.863"
-"UMLCN0340","V","Aromatics","","4-methyl-4-(2-naphthyl)heptane","C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC","C18H24","NREL (2014)","Unknown","0","9","4.06","0.438","8.476"
-"UMLCN0341","V","Aromatics","","2-methyl-4-isobutyl-4-phenylundecane","CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C","C22H38 ","NREL (2014)","Unknown","0","18","9.6","0.346","11.627"
-"UMLCN0342","V","Aromatics","","5-butyl-5-phenyltetradecane","C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC","C24H42","NREL (2014)","Unknown","0","58","11.965","0.31","9.998"
-"UMLCN0343","V","Aromatics","","1,2,4-trimethyl-5-hexadecyl benzene","C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C","C25H44","NREL (2014)","Unknown","0","42","12.82","0.294","1.57"
-"UMLCN0344","V","Aromatics","","5-phenyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1","C26H46","NREL (2014)","Unknown","0","39","15.768","0.29","5.085"
-"UMLCN0345","V","Alcohols","","tert-butanol","CC(C)(C)O","C4H10O","NREL (2014)","Blend, IQT","0","5.6","0.97","0.443","1.541"
-"UMLCN0346","V","Ethers","","dimethoxymethane","COCOC","C3H8O2","NREL (2014)","Blend","0","49","3.861","0.431","0.982"
-"UMLCN0347","V","Ethers","","diethyl ether","CCOCC","C4H10O","NREL (2014)","Other Ignition Delay Method","0","160","3.93","0.374","0.048"
-"UMLCN0348","V","Ethers","Alcohols","2-butoxyethanol","CCCCOCCO","C6H14O2","NREL (2014)","Blend appx. 20% (Method?)","0","41","6.855","0.448","0.353"
-"UMLCN0349","V","Esters","","2-ethylhexyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","116","22.623","0.245","2.238"
-"UMLCN0350","V","Alkanes","","7,8-diethyltetradecane","CCCCCCC(CC)C(CC)CCCCCC","C18H38","BioCompoundML (2016)","Unknown","0","67","13.432","0.225","4.4"
-"UMLCN0351","V","Esters","","butyl laurate","CCCCCCCCCCCC(=O)OCCCC","C16H32O2","NREL (2014)","Blend","0","73","14.4","0.291","0.485"
-"UMLCN0352","V","Esters","","butyl octanoate","CCCCCCCC(=O)OCCCC","C12H24O2","BioCompoundML (2016)","Unknown","0","39.6","10.437","0.34","0.485"
-"UMLCN0353","V","Esters","Olefins","butyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCC","C22H42O2","NREL (2014)","Blend","0","102","19.891","0.318","3.008"
-"UMLCN0354","V","Naphthenes","","cyclopentane","C1CCCC1","C5H10","BioCompoundML (2016)","Unknown","0","6.1","0.922","0.235","0.447"
-"UMLCN0355","V","Acids","","decanoic acid","CCCCCCCCCC(=O)O","C10H20O2","BioCompoundML (2016)","Unknown","0","48","8.466","0.373","0.257"
-"UMLCN0356","V","Esters","","decyl acetate","CCCCCCCCCCOC(=O)C","C12H24O2","BioCompoundML (2016)","Unknown","0","62","10.437","0.328","0.263"
-"UMLCN0357","V","Esters","","decyl caprate","CCCCCCCCCCOC(=O)CCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","81","18.376","0.259","0.485"
-"UMLCN0358","V","Esters","","decyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","84","20.367","0.247","0.485"
-"UMLCN0359","V","Esters","","decyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","72","22.36","0.237","0.485"
-"UMLCN0360","V","Esters","Olefins","decyl oleate","CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC","C28H54O2","BioCompoundML (2016)","Unknown","0","134","25.863","0.277","3.008"
-"UMLCN0361","V","Esters","","decyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","91","24.353","0.228","0.485"
-"UMLCN0362","V","Esters","","decyl valerate","CCCCCCCCCCOC(=O)CCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","61","13.407","0.301","0.485"
-"UMLCN0363","V","Esters","","dibutyl adipate","CCCCOC(=O)CCCCC(=O)OCCCC","C14H26O4","NREL (2014)","Blend","0","81","12.208","0.374","0.521"
-"UMLCN0364","V","Esters","","dibutyl azelate","CCCCOC(=O)CCCCCCCC(=O)OCCCC","C17H32O4","BioCompoundML (2016)","Unknown","0","83","15.115","0.338","0.521"
-"UMLCN0365","V","Esters","","dibutyl malonate","CCCCOC(=O)CC(=O)OCCCC","C11H20O4","NREL (2014)","CFR","0","21","9.338","0.415","0.525"
-"UMLCN0366","V","Aromatics","Esters","dibutyl phthalate","CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","C16H22O4","BioCompoundML (2016)","Unknown","0","38","7.782","0.495","2.393"
-"UMLCN0367","V","Esters","","dibutyl succinate","CCCCOC(=O)CCC(=O)OCCCC","C12H22O4","Jenkins (2013)","CFR","0","21","10.289","0.405","0.521"
-"UMLCN0368","V","Esters","","diethyl adipate","CCOC(=O)CCCCC(=O)OCC","C10H18O4","BioCompoundML (2016)","Unknown","0","15","8.393","0.439","0.137"
-"UMLCN0369","V","Esters","","diethyl azelate","CCOC(=O)CCCCCCCC(=O)OCC","C13H24O4","BioCompoundML (2016)","Unknown","0","47","11.247","0.389","0.137"
-"UMLCN0370","V","Esters","","diethyl butanedioate","CCOC(=O)CCC(=O)OCC","C8H14O4","NREL (2014)","CFR","0","21","6.53","0.46","0.137"
-"UMLCN0371","V","Esters","","diethyl oxalate","CCOC(=O)C(=O)OCC","C6H10O4","BioCompoundML (2016)","Unknown","0","21","4.719","0.492","0.292"
-"UMLCN0372","V","Esters","","diethyl sebacate","CCOC(=O)CCCCCCCCC(=O)OCC","C14H26O4","BioCompoundML (2016)","Unknown","0","47","12.208","0.374","0.137"
-"UMLCN0373","V","Esters","","dihexyl azelate","CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC","C21H40O4","BioCompoundML (2016)","Unknown","0","99","19.025","0.302","0.521"
-"UMLCN0374","V","Aromatics","Esters","dihexyl phthalate","CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC","C20H30O4","BioCompoundML (2016)","Unknown","0","48","11.005","0.43","2.393"
-"UMLCN0375","V","Esters","","dimethyl adipate","COC(=O)CCCCC(=O)OC","C8H14O4","BioCompoundML (2016)","Unknown","0","5","6.53","0.46","0.02"
-"UMLCN0376","V","Esters","","dimethyl azelate","COC(=O)CCCCCCCC(=O)OC","C11H20O4","BioCompoundML (2016)","Unknown","0","24","9.338","0.395","0.02"
-"UMLCN0377","V","Esters","","dimethyl malonate","COC(=O)CC(=O)OC","C5H8O4","BioCompoundML (2016)","Unknown","0","15","3.843","0.529","0.024"
-"UMLCN0378","V","Aromatics","Esters","dimethyl phthalate","COC(=O)C1=CC=CC=C1C(=O)OC","C10H10O4","BioCompoundML (2016)","Unknown","0","19","3.514","0.588","1.903"
-"UMLCN0379","V","Esters","","dioctyl adipate","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","C22H42O4","BioCompoundML (2016)","Unknown","0","89","20.007","0.294","0.521"
-"UMLCN0380","V","Esters","","dioctyl sebacate","CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC","C26H50O4","BioCompoundML (2016)","Unknown","0","70","20.981","0.296","3.835"
-"UMLCN0381","V","Ethers","","dipentyl ether","CCCCCOCCCCC","C10H22O","NREL (2014)","IQT","0","111","9.926","0.296","0.461"
-"UMLCN0382","V","Esters","","dodecyl acetate","CCCCCCCCCCCCOC(=O)C","C14H28O2","BioCompoundML (2016)","Unknown","0","77","12.416","0.301","0.278"
-"UMLCN0383","V","Esters","","dodecyl laurate","CCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","85","22.36","0.237","0.485"
-"UMLCN0384","V","Esters","","dodecyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","74","24.353","0.228","0.485"
-"UMLCN0385","V","Esters","","dodecyl valerate","CCCCCCCCCCCCOC(=O)CCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","67","15.393","0.282","0.485"
-"UMLCN0386","V","Esters","","ethyl laurate","CCCCCCCCCCCC(=O)OCC","C14H28O2","BioCompoundML (2016)","Unknown","0","73","12.416","0.313","0.293"
-"UMLCN0387","V","Esters","Ketones","ethyl levulinate","CCOC(=O)CCC(=O)C","C7H12O3","NREL (2014)","IQT","0","6","4.772","0.513","0.113"
-"UMLCN0388","V","Esters","Olefins","ethyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCC","C20H36O2","BioCompoundML (2016)","Unknown","0","44.4","17.437","0.388","4.965"
-"UMLCN0389","V","Esters","Olefins","ethyl linolenate","CCC=CCC=CCC=CCCCCCCCC(=O)OCC","C20H34O2","BioCompoundML (2016)","Unknown","0","27","16.977","0.423","7.059"
-"UMLCN0390","V","Esters","","glycerol triacetate","CC(=O)OCC(COC(=O)C)OC(=O)C","C9H14O6","BioCompoundML (2016)","Unknown","0","5","6.708","0.463","0.606"
-"UMLCN0391","V","Esters","","hexadecyl acetate","CCCCCCCCCCCCCCCCOC(=O)C","C18H36O2","BioCompoundML (2016)","Unknown","0","86","16.387","0.264","0.263"
-"UMLCN0392","V","Esters","","hexadecyl laurate","CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C28H56O2","BioCompoundML (2016)","Unknown","0","88","26.348","0.22","0.485"
-"UMLCN0393","V","Esters","","hexyl decanoate ","CCCCCCCCCC(=O)OCCCCCC","C16H32O2","BioCompoundML (2016)","Unknown","0","64","14.4","0.291","0.485"
-"UMLCN0394","V","Esters","","hexyl laurate","CCCCCCCCCCCC(=O)OCCCCCC","C18H36O2","BioCompoundML (2016)","Unknown","0","74","16.387","0.274","0.485"
-"UMLCN0395","V","Esters","","hexyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","72","18.376","0.259","0.485"
-"UMLCN0396","V","Esters","Olefins","hexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC","C24H46O2","BioCompoundML (2016)","Unknown","0","102","21.88","0.302","3.008"
-"UMLCN0397","V","Esters","","hexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","87","20.367","0.247","0.485"
-"UMLCN0398","V","Esters","","isobutyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(C)C","C22H44O2","BioCompoundML (2016)","Unknown","0","99","18.68","0.267","1.393"
-"UMLCN0399","V","Esters","","isopropyl decanoate","CCCCCCCCCC(=O)OC(C)C","C13H26O2","BioCompoundML (2016)","Unknown","0","46.6","9.918","0.333","1.059"
-"UMLCN0400","V","Acids","Olefins","linoleic acid","CCCCCC=CCC=CCCCCCCCC(=O)O","C18H32O2","BioCompoundML (2016)","Unknown","0","31","15.458","0.412","4.928"
-"UMLCN0401","V","Esters","Olefins","methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate","CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC","C23H34O2","NREL (2014)","IQT","0","24.4","18.576","0.417","2.337"
-"UMLCN0402","V","Esters","","methyl arachidate","CCCCCCCCCCCCCCCCCCCC(=O)OC","C21H42O2","BioCompoundML (2016)","Unknown","0","100","19.371","0.244","0.234"
-"UMLCN0403","V","Esters","","methyl butanoate","CCCC(=O)OC","C5H10O2","BioCompoundML (2016)","Unknown","0","6.4","3.616","0.522","0.234"
-"UMLCN0404","V","Esters","Olefins","methyl erucate","CCCCCCCCC=CCCCCCCCCCCCC(=O)OC","C23H44O2","BioCompoundML (2016)","Unknown","0","74.2","20.885","0.302","2.758"
-"UMLCN0405","V","Esters","Olefins","methyl gamma-linolenate","CCCCCC=CCC=CCC=CCCCCC(=O)OC","C19H32O2","BioCompoundML (2016)","Unknown","0","29.2","15.99","0.429","7.054"
-"UMLCN0406","V","Esters","Olefins","methyl gondoate","CCCCCCCCC=CCCCCCCCCCC(=O)OC","C21H40O2","BioCompoundML (2016)","Unknown","0","73.2","18.897","0.318","2.758"
-"UMLCN0407","V","Esters","Olefins","methyl petroselinate","CCCCCCCCCCCC=CCCCCC(=O)OC","C19H36O2","BioCompoundML (2016)","Unknown","0","58.6","16.911","0.337","2.758"
-"UMLCN0408","V","Esters","Olefins","methyl ricinoleate","CCCCCCC(CC=CCCCCCCCC(=O)OC)O","C19H36O3","NREL (2014)","IQT","0","37.4","16.201","0.385","2.798"
-"UMLCN0409","V","Esters","Olefins","methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate","CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC","C21H34O2","BioCompoundML (2016)","Unknown","0","29.6","17.509","0.428","9.202"
-"UMLCN0410","V","Esters","Olefins","methyl-9-decenoate","COC(=O)CCCCCCCC=C","C11H20O2","BioCompoundML (2016)","Unknown","0","38.3","9.011","0.468","1.495"
-"UMLCN0411","V","Esters","","octadecyl acetate","CCCCCCCCCCCCCCCCCCOC(=O)C","C20H40O2","BioCompoundML (2016)","Unknown","0","90","18.376","0.25","0.278"
-"UMLCN0412","V","Esters","","octyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","84","18.376","0.259","0.485"
-"UMLCN0413","V","Esters","","octyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","71","20.367","0.247","0.485"
-"UMLCN0414","V","Esters","Olefins","octyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC","C26H50O2","NREL (2014)","Blend","0","131","23.871","0.289","3.008"
-"UMLCN0415","V","Esters","","octyl valerate","CCCCCCCCOC(=O)CCCC","C13H26O2","BioCompoundML (2016)","Unknown","0","49","11.426","0.325","0.485"
-"UMLCN0416","V","Esters","","pentyl pentanoate","CCCCCOC(=O)CCCC","C10H20O2","BioCompoundML (2016)","Unknown","0","28.2","8.466","0.375","0.485"
-"UMLCN0417","V","Naphthenes","","Perhydro-phenanthrene","C1CCC2C(C1)CCC3C2CCCC3","C14H24","BioCompoundML (2016)","Unknown","0","38.8","2.553","0.238","6.536"
-"UMLCN0418","V","Esters","","propyl laurate","CCCCCCCCCCCC(=O)OCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","71","13.407","0.301","0.485"
-"UMLCN0419","V","Esters","","propyl myristate","CCCCCCCCCCCCCC(=O)OCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","71","15.393","0.282","0.485"
-"UMLCN0420","V","Esters","","tetradecyl acetate","CCCCCCCCCCCCCCOC(=O)C","C16H32O2","BioCompoundML (2016)","Unknown","0","81","14.4","0.281","0.259"
-"UMLCN0421","V","Ethers","","triethyleneglycol dimethyl ether","COCCOCCOCCOC","C8H18O4","BioCompoundML (2016)","Unknown","0","120","10.703","0.32","0.216"
-"UMLCN0422","V","Cyclic Ethers","Aromatics","furan","C1=COC=C1","C4H4O","NREL (2014)","IQT","0","7","0.555","0.521","0.005"
-"UMLCN0423","V","Alkanes","","2,3,4-trimethylpentane","CC(C)C(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","14","3.111","0.255","3.561"
-"UMLCN0424","V","Naphthenes","","1,1,2,4-tetramethylcyclopentane","CC1CC(C(C1)(C)C)C","C9H18","Kubic (2016)","Unknown","0","34.2","1.58","0.322","5.974"
-"UMLCN0425","V","Naphthenes","","1,1,2-Trimethylcyclohexane","CC1CCCCC1(C)C","C9H18","Kubic (2016)","Unknown","0","29","1.833","0.316","5.753"
-"UMLCN0426","V","Alkanes","","2,3,3-Trimethylpentane","CCC(C)(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","17","2.52","0.294","4.144"
-"UMLCN0427","V","Alkanes","","2,2,3-Trimethylpentane","CCC(C)C(C)(C)C","C8H18","Kubic (2016)","Unknown","0","14","2.52","0.294","3.95"
-"UMLCN0428","V","Alkanes","","3,4-Dimethylhexane","CCC(C)C(C)CC","C8H18","Kubic (2016)","Unknown","0","20","3.938","0.291","2.578"
-"UMLCN0429","V","Alkanes","","2,4-Dimethylhexane","CCC(C)CC(C)C","C8H18","Kubic (2016)","Unknown","0","29","3.938","0.291","2.833"
-"UMLCN0430","V","Alkanes","","3,3-Diethylpentane","CCC(CC)(CC)CC","C9H20","Kubic (2016)","Unknown","0","17","3.92","0.276","8.328"
-"UMLCN0431","V","Alkanes","","2-Methyl-3-ethylpentane","CCC(CC)C(C)C","C8H18","Kubic (2016)","Unknown","0","12","3.938","0.291","4.157"
-"UMLCN0432","V","Alkanes","","n-butane","CCCC","C4H10","NREL (2014)","IQT","0","20.6","3","0.31","0.449"
-"UMLCN0433","V","Alkanes","","2,2-Dimethylpentane","CCCC(C)(C)C","C7H16","Kubic (2016)","Unknown","0","30","2.344","0.293","2.886"
-"UMLCN0434","V","Alkanes","","3-methylhexane","CCCC(C)CC","C7H16","NREL (2014)","IQT","0","42","4.167","0.298","1.801"
-"UMLCN0435","V","Naphthenes","","n-Propylcyclopentane","CCCC1CCCC1","C8H16","Kubic (2016)","Unknown","0","37","2.382","0.277","1.235"
-"UMLCN0436","V","Alkanes","","2,2-Dimethylhexane","CCCCC(C)(C)C","C8H18","Kubic (2016)","Unknown","0","40","3.111","0.285","2.886"
-"UMLCN0437","V","Alkanes","","2,2-Dimethylheptane","CCCCCC(C)(C)C","C9H20","Kubic (2016)","Unknown","0","49","3.92","0.276","2.886"
-"UMLCN0438","V","Alkanes","","2-Methyloctane","CCCCCCC(C)C","C9H20","Kubic (2016)","Unknown","0","39","6.125","0.273","1.546"
-"UMLCN0439","V","Esters","","dioctyl sebacate ","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Kubic (2016)","Unknown","0","70","23.946","0.269","0.521"
-"UMLCN0440","V","Aromatics","Ethers","anisole","COC1=CC=CC=C1","C7H8O","NREL (2014)","IQT","0","6","1.649","0.53","0.889"
-"UMLCN0441","V","Aromatics","Ethers","4-methylanisole","CC1=CC=C(C=C1)OC","C8H10O","NREL (2014)","IQT","0","7.4","1.854","0.581","0.834"
-"UMLCN0442","V","Aromatics","Ethers","guaiacol","COC1=CC=CC=C1O","C7H8O2","NREL (2014)","IQT","0","19.3","1.824","0.636","0.889"
-"UMLCN0443","V","Aromatics","Ethers","4-propylanisole","CCCC1=CC=C(C=C1)OC","C10H14O","NREL (2014)","IQT","0","7.5","3.118","0.556","1.188"
-"UMLCN0444","V","Aromatics","Alcohols","2-phenylethanol","C1=CC=C(C=C1)CCO","C8H10O","NREL (2014)","IQT","0","8","2.28","0.584","0.917"
-"UMLCN0445","V","Aromatics","Ethers","4-methylguaiacol","CC1=CC(=C(C=C1)O)OC","C8H10O2","NREL (2014)","IQT","0","19.8","2.043","0.657","0.827"
-"UMLCN0446","V","Aromatics","Phenols","4-propylphenol","CCCC1=CC=C(C=C1)O","C9H12O","NREL (2014)","IQT","0","8.6","2.461","0.611","1.086"
-"UMLCN0447","V","Aromatics","Ethers","4-ethylguaiacol","CCC1=CC(=C(C=C1)O)OC","C9H12O2","NREL (2014)","IQT","0","19.6","2.629","0.634","1.128"
-"UMLCN0448","T","Aromatics","Ethers","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","NREL (2014)","IQT","0","18","3.261","0.613","1.18"
-"UMLCN0449","T","Aromatics","Ethers","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","McCormick (2015)","Unknown","0","26","2.596","0.607","0.968"
-"UMLCN0450","T","Aromatics","Ethers","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","NREL (2014)","IQT","0","25","2.812","0.602","0.899"
-"UMLCN0451","T","Cyclic Ethers","Aromatics","furfural","C1=COC(=C1)C=O","C5H4O2","NREL (2014)","IQT","0","13.9","1.047","0.661","1.415"
-"UMLCN0452","T","Aromatics","Cyclic","indan","C1CC2=CC=CC=C2C1","C9H10","NREL (2014)","IQT","0","8.6","1.048","0.526","0.586"
-"UMLCN0453","T","Naphthenes","","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","NREL (2014)","IQT","0","20.4","1","0.278","4.877"
-"UMLCN0454","T","Ketones","Cyclic","cyclopentanone","C1CCC(=O)C1","C5H8O","NREL (2014)","IQT","0","9","0.91","0.463","0.673"
-"UMLCN0455","T","Alkenes","","ocimene","CC(=CCC=C(C)C=C)C","C10H16","NREL (2014)","IQT","0","28","4.649","0.526","4.586"
-"UMLCN0456","T","Alkenes","","farnesene","CC(=CCCC(=CCC=C(C)C=C)C)C","C15H24","NREL (2014)","IQT","0","32","7.71","0.47","7.74"
-"UMLCN0457","T","Alkenes","Alcohols","farnesol","CC(=CCCC(=CCCC(=CCO)C)C)C","C15H26O","NREL (2014)","IQT","0","24","8.93","0.428","7.072"
-"UMLCN0458","T","Esters","Ketones","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","NREL (2014)","IQT","0","7.8","3.894","0.53","0.322"
-"UMLCN0459","T","Esters","","methyl acetate","CC(=O)OC","C3H6O2","NREL (2014)","IQT","0","19.5","1.772","0.592","0.012"
-"UMLCN0460","T","Aromatics","","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","NREL (2014)","IQT","0","10.1","1.564","0.464","0.603"
-"UMLCN0461","T","Cycloalkenes","Cyclic","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","NREL (2014)","IQT","0","27","1.073","0.461","6.133"
-"UMLCN0462","T","Cycloalkenes","Alkenes","caryophyllene","CC1=CCCC(=C)C2CC(C2CC1)(C)C","C15H24","NREL (2014)","IQT","0","29","2.788","0.468","10.054"
-"UMLCN0463","T","Naphthenes","","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","NREL (2014)","IQT","0","30.5","1.929","0.309","4.858"
-"UMLCN0464","T","Naphthenes","","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","NREL (2014)","IQT","0","24","1.929","0.309","5.122"
-"UMLCN0465","T","Aromatics","","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","NREL (2014)","IQT","0","7.6","3.334","0.428","1.475"
-"UMLCN0466","T","Naphthenes","","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","NREL (2014)","IQT","0","42.7","1.54","0.285","12.374"
-"UMLCN0467","T","Alkenes","","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","NREL (2014)","IQT","0","27","4.47","0.412","4.006"
-"UMLCN0468","T","Alcohols","","4-heptanol","CCCC(CCC)O","C7H16O","NREL (2014)","IQT","0","21","5.08","0.382","0.541"
-"UMLCN0469","T","Naphthenes","","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","NREL (2014)","IQT","0","48.6","1.757","0.289","10.832"
-"UMLCN0470","T","Naphthenes","","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","NREL (2014)","IQT","0","49.1","2.146","0.277","10.832"
-"UMLCN0471","T","Ketones","","4-nonanone","CCCCCC(=O)CCC","C9H18O","NREL (2014)","IQT","0","43","6.57","0.353","0.45"
-"UMLCN0472","T","Ketones","","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","NREL (2014)","IQT","0","49","8.532","0.32","0.45"
-"UMLCN0473","T","Esters","","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","NREL (2014)","IQT","0","31","8.466","0.375","0.485"
-"UMLCN0474","T","Alcohols","","2-heptanol","CCCCCC(C)O","C7H16O","NREL (2014)","IQT","0","25","5.08","0.382","0.525"
-"UMLCN0475","T","Alcohols","","4-nonanol","CCCCCC(CCC)O","C9H20O","NREL (2014)","IQT","0","28","7.045","0.336","0.541"
-"UMLCN0476","T","Esters","","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","NREL (2014)","IQT","0","42.2","8.466","0.375","0.293"
-"UMLCN0477","T","Esters","","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","NREL (2014)","IQT","0","29","8.466","0.375","0.485"
-"UMLCN0478","T","Esters","","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","NREL (2014)","IQT","0","40","10.437","0.34","0.485"
-"UMLCN0479","T","Esters","","pentyl acetate","CCCCCOC(=O)C","C7H14O2","NREL (2014)","IQT","0","23.6","5.534","0.442","0.263"
-"UMLCN0480","T","Cyclic Ethers","Aromatics","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","NREL (2014)","IQT","0","18.4","2.487","0.646","0.384"
-"UMLCN0481","T","Cyclic Ethers","Ethers","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","NREL (2014)","IQT","0","78.9","3.014","0.404","0.52"
-"UMLCN0482","T","Esters","Olefins","dibutyl fumarate","CCCCOC(=O)C=CC(=O)OCCCC","C12H20O4","Jenkins (2013)","CFR","0","23","9.879","0.471","0.594"
diff --git a/tests/limit_inputs/test.py b/tests/limit_inputs/test.py
deleted file mode 100644
index 8e2e096..0000000
--- a/tests/limit_inputs/test.py
+++ /dev/null
@@ -1,16 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def limit(num_processes, output_filename=None):
-
-    logger.stream_level = 'info'
-    sv = Server(num_processes=num_processes)
-    sv.load_data('cn_model_v1.0.csv')
-    sv.limit_inputs(3, output_filename=output_filename)
-
-
-if __name__ == '__main__':
-
-    limit(1)
-    limit(4, output_filename='limited_inputs.csv')
diff --git a/tests/logging/logs/1559170924.log b/tests/logging/logs/1559170924.log
deleted file mode 100644
index 59d236f..0000000
--- a/tests/logging/logs/1559170924.log
+++ /dev/null
@@ -1,25 +0,0 @@
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
diff --git a/tests/logging/new_logs/1559170924.log b/tests/logging/new_logs/1559170924.log
deleted file mode 100644
index 52d0bdf..0000000
--- a/tests/logging/new_logs/1559170924.log
+++ /dev/null
@@ -1,5 +0,0 @@
-[19:02:05] [file_logging:20] [DEBUG] Debug message
-[19:02:05] [file_logging:21] [INFO] Info message
-[19:02:05] [file_logging:22] [WARNING] Warning message
-[19:02:05] [file_logging:23] [ERROR] Error message
-[19:02:05] [file_logging:24] [CRITICAL] Critical message
diff --git a/tests/logging/test.py b/tests/logging/test.py
deleted file mode 100644
index d5373b5..0000000
--- a/tests/logging/test.py
+++ /dev/null
@@ -1,34 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def stream_logging(s_level):
-
-    logger.stream_level = s_level
-    logger.log('debug', 'Debug message')
-    logger.log('info', 'Info message')
-    logger.log('warn', 'Warning message')
-    logger.log('error', 'Error message')
-    logger.log('crit', 'Critical message')
-
-
-def file_logging(f_level, log_dir='logs'):
-
-    logger.file_level = f_level
-    logger.stream_level = f_level
-    logger.log_dir = log_dir
-    logger.log('debug', 'Debug message')
-    logger.log('info', 'Info message')
-    logger.log('warn', 'Warning message')
-    logger.log('error', 'Error message')
-    logger.log('crit', 'Critical message')
-
-
-if __name__ == '__main__':
-
-    levels = ['debug', 'info', 'warn', 'error', 'crit', 'disable']
-    for l in levels:
-        stream_logging(l)
-    for l in levels:
-        file_logging(l)
-    file_logging('debug', 'new_logs')
diff --git a/tests/remove_outliers/cn_model_v1.0.csv b/tests/remove_outliers/cn_model_v1.0.csv
deleted file mode 100644
index b86906e..0000000
--- a/tests/remove_outliers/cn_model_v1.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
-DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
-UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
-UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
-UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
-UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
-UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
-UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
-UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
-UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
-UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
-UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
-UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
-UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
-UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
-UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
-UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
-UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
-UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
-UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
-UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
-UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
-UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
-UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
-UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
-UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
-UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
-UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
-UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
-UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
-UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
-UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
-UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
-UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
-UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
-UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
-UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
-UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
-UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
-UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
-UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
-UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
-UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
-UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
-UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
-UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
-UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
-UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
-UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
-UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
-UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
-UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
-UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
-UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
-UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
-UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
-UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
-UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
-UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
-UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
-UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
-UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
-UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
-UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
-UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
-UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
-UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
-UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
-UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
-UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
-UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
-UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
-UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
-UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
-UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
-UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
-UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
-UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
-UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
-UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
-UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
-UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
-UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
-UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
-UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
-UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
-UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
-UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
-UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
-UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
-UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
-UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
-UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
-UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
-UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
-UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
-UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
-UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
-UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
-UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
-UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
-UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
-UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
-UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
-UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
-UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
-UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
-UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
-UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
-UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
-UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
-UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
-UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
-UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
-UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
-UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
-UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
-UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
-UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
-UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
-UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
-UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
-UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
-UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
-UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
-UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
-UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
-UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
-UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
-UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
-UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
-UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
-UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
-UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
-UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
-UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
-UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
-UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
-UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
-UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
-UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
-UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
-UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
-UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
-UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
-UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
-UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
-UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
-UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
-UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
-UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
-UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
-UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
-UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
-UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
-UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
-UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
-UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
-UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
-UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
-UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
-UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
-UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
-UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
-UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
-UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
-UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
-UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
-UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
-UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
-UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
-UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
-UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
-UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
-UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
-UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
-UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
-UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
-UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
-UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
-UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
-UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
-UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
-UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
-UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
-UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
-UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
-UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
-UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
-UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
-UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
-UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
-UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
-UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
-UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
-UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
-UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
-UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
-UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
-UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
-UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
-UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
-UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
-UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
-UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
-UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
-UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
-UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
-UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
-UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
-UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
-UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
-UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
-UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
-UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
-UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
-UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
-UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
-UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
-UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
-UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
-UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
-UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
-UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
-UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
-UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
-UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
-UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
-UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
-UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
-UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
-UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
-UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
-UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
-UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
-UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
-UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
-UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
-UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
-UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
-UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
-UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
-UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
-UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
-UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
-UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
-UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
-UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
-UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
-UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
-UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
-UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
-UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
-UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
-UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
-UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
-UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
-UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
-UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
-UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
-UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
-UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
-UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
-UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
-UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
-UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
-UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
-UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
-UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
-UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
-UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
-UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
-UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
-UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
-UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
-UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
-UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
-UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
-UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
-UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
-UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
-UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
-UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
-UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
-UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
-UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
-UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
-UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
-UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
-UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
-UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
-UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
-UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
-UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
-UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
-UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
-UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
-UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
-UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
-UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
-UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
-UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
-UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
-UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
-UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
-UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
-UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
-UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
-UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
-UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
-UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
-UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
-UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
-UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
-UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
-UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
-UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
-UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
-UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
-UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
-UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
-UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
-UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
-UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
-UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
-UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
-UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
-UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
-UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
-UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
-UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
-UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
-UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
-UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
-UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
-UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
-UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
-UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
-UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
-UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
-UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
-UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
-UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
-UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
-UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
-UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
-UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
-UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
-UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
-UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
-UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
-UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
-UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
-UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
-UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
-UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
-UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
-UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
-UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
-UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
-UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
-UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
-UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
-UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
-UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
-UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
-UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
-UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
-UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
-UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
-UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
-UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
-UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
-UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
-UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
-UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
-UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
-UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
-UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
-UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
-UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
-UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
-UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
-UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
-UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
-UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
-UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
-UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
-UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
-UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
-UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
-UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
-UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
-UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
-UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
-UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
-UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
-UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
-UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
-UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
-UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
-UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
-UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
-UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
-UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
-UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
-UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
-UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
-UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
-UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
-UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
-UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
-UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
-UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
-UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
-UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
-UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
-UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
-UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
-UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
-UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
-UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
-UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
-UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
-UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
-UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
-UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
-UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
-UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
-UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
-UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
-UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
-UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
-UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
-UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
-UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
-UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
-UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
-UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
-UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
-UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
-UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
-UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
-UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
-UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
-UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
-UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
-UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
-UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
-UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
-UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
-UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
-UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
-UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
-UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
-UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
-UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
-UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
-UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
-UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
-UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
-UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
-UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
-UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
-UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
-UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
-UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
-UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
-UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
-UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
-UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
-UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
-UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
-UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
-UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
-UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
-UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
-UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
-UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
-UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
-UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
-UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
-UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
-UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/remove_outliers/cn_no_outliers.csv b/tests/remove_outliers/cn_no_outliers.csv
deleted file mode 100644
index eb0c37e..0000000
--- a/tests/remove_outliers/cn_no_outliers.csv
+++ /dev/null
@@ -1,435 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","GROUP","TARGET","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT"
-"DATAID","ASSIGNMENT","Compound Group","CG2","Compound Name","SMILES","Formula","Source","Method","Null","CN (Exp)","PHI","piPC05","RDF035v","MAXDP","nHDon","EEig10d","EEig15d","nHAcc","BIC1","BELe2","H5u","ESpm06u","EEig13r","N-066","DELS"
-"UMLCN0002","L","Cyclic Ethers","Aromatics","2-butylfuran","CCCCC1=CC=CO1","C8H12O","Marquardt (2015)","IQT","0","13.1","2.525","3.234","0.716","1.636","0","0","0","1","0.575","1.381","0.22","5.911","0","0","3.685"
-"UMLCN0003","L","Cyclic Ethers","","tetrahydropyran","C1CCOCC1","C5H10O","Marquardt (2015)","IQT","0","38.2","1.507","1.946","1.43","1.569","0","0","0","1","0.375","1.019","0","4.89","0","0","3.139"
-"UMLCN0004","L","Cyclic Ethers","Aromatics","2,5-dimethylfuran","CC1=CC=C(C)O1","C6H8O","Marquardt (2015)","IQT","0","10.9","0.989","3.204","0.431","1.583","0","0","0","1","0.567","1.421","0","6.057","0","0","3.167"
-"UMLCN0005","L","Cyclic Ethers","Olefins","2,5-dihydrofuran","C1C=CCO1","C4H6O","Marquardt (2015)","IQT","0","15.6","0.712","0","0.13","1.333","0","0","0","1","0.61","1.116","0","4.615","0","0","2.722"
-"UMLCN0007","L","Cyclic Ethers","","2-butyltetrahydrofuran","CCCCC1CCCO1","C8H16O","Marquardt (2015)","IQT","0","45.5","3.055","2.197","0.733","1.955","0","0","0","1","0.349","1.417","0.277","5.911","0","0","4.372"
-"UMLCN0010","L","Cyclic Ethers","Aromatics","furfuryl alcohol","C1=COC(=C1)CO","C5H6O2","NREL (2014)","IQT","0","10.3","1.245","2.883","0.349","2.333","1","0","0","2","0.766","1.288","0","5.778","0","0","7.131"
-"UMLCN0011","L","Cyclic Ethers","Olefins","3,4-dihydro-2H-pyran","C1CC=COC1","C5H8O","Marquardt (2015)","IQT","0","23.9","1.28","2.485","1.127","1.389","0","0","0","1","0.654","0.984","0","4.89","0","0","2.868"
-"UMLCN0012","L","Cyclic Ethers","","eucalyptol","CC1(C2CCC(O1)(CC2)C)C","C10H18O","Marquardt (2015)","IQT","0","18.8","1.387","3.664","7.895","2.56","0","-1.277","0","1","0.359","1.364","0.584","7.969","0","0","6.633"
-"UMLCN0013","L","Cyclic Ethers","","2-methyltetrahydrofuran","CC1CCCO1","C5H10O","NREL (2014)","IQT","0","21.3","1.105","1.099","0.729","1.653","0","0","0","1","0.45","1.299","0.097","5.565","0","0","3.542"
-"UMLCN0014","L","Cyclic Ethers","Olefins","2,3-dihydrofuran","C1COC=C1","C4H6O","Marquardt (2015)","IQT","0","20","0.712","0","0.19","1.264","0","0","0","1","0.711","1.142","0","4.615","0","0","2.556"
-"UMLCN0015","L","Cyclic Ethers","Aromatics","2-ethylfuran","CCC1=CC=CO1","C6H8O","Marquardt (2015)","IQT","0","10.2","1.273","2.883","0.661","1.483","0","0","0","1","0.65","1.325","0.067","5.778","0","0","3.102"
-"UMLCN0016","L","Cyclic Ethers","","tetrahydrofuran","C1CCOC1","C4H8O","Marquardt (2015)","IQT","0","21.9","0.893","0","0.125","1.444","0","0","0","1","0.418","1.182","0","4.615","0","0","2.889"
-"UMLCN0017","L","Alkanes","","7-butyltridecane","CCCCCCC(CCCC)CCCCCC","C17H36 ","NREL (2014)","Unknown","0","36","14.063","2.833","2.364","0.325","0","-0.709","-1.908","0","0.214","1.612","1.365","6.116","-0.497","0","1.893"
-"UMLCN0018","L","Cyclic Ethers","Olefins","rose oxide","CC1CCOC(C1)C=C(C)C","C10H18O","NREL (2014)","IQT","0","30","3.128","3.219","4.93","2.083","0","-1.524","0","1","0.474","1.538","0.429","6.454","0","0","5.74"
-"UMLCN0019","L","Cyclic Ethers","","2-ethyltetrahydrofuran","CCC1CCCO1","C6H12O","Marquardt (2015)","IQT","0","28.1","1.688","1.609","0.733","1.802","0","0","0","1","0.408","1.351","0.141","5.778","0","0","3.957"
-"UMLCN0020","L","Alkanes","","2,7-dimethyl-4,5-diethyloctane","CCC(CC(C)C)C(CC)CC(C)C","C14H30","NREL (2014)","Unknown","0","39","7.313","2.833","9.092","0.357","0","-1","0","0","0.258","1.578","0.926","6.73","-0.895","0","4.244"
-"UMLCN0021","L","Cyclic Ethers","Aromatics","2-methylfuran","CC1=CC=CO1","C5H6O","NREL (2014)","IQT","0","9","0.766","2.409","0.241","1.333","0","0","0","1","0.681","1.287","0","5.565","0","0","2.667"
-"UMLCN0022","L","Cycloalkenes","Olefins","bisabolene","CC1=CCC(=C(C)CCC=C(C)C)CC1","C15H24","NREL (2014)","IQT","0","32.2","4.873","4.078","8.04","0.392","0","-0.434","-1.638","0","0.381","1.666","1.36","6.825","-0.7","0","3.31"
-"UMLCN0023","L","Cycloalkenes","Olefins","limonene","CC1=CCC(CC1)C(=C)C","C10H16","Marquardt (2015)","IQT","0","18.9","2.311","3.434","5.955","0.975","0","-1.819","0","0","0.507","1.471","0.956","6.532","0","0","3.359"
-"UMLCN0024","L","Olefins","Cyclic","beta-pinene","CC1(C2CCC(=C)C1C2)C","C10H16","NREL (2014)","IQT","0","21.3","1.073","3.611","8.475","1.129","0","-1.823","0","0","0.503","1.342","0.619","7.87","0","0","3.853"
-"UMLCN0025","L","Cycloalkenes","","alpha-pinene","CC1=CCC2CC1C2(C)C","C10H16","NREL (2014)","IQT","0","23.1","1.073","3.892","6.278","0.435","0","-1.777","0","0","0.493","1.341","0.48","7.87","0","0","3.132"
-"UMLCN0026","L","Alcohols","Olefins","beta-citronellol","CC(CCC=C(C)C)CCO","C10H20O","Marquardt (2015)","IQT","0","25.6","6.24","2.398","3.61","2.63","1","-1.786","0","1","0.485","1.553","1.109","5.916","0","0","6.641"
-"UMLCN0028","L","Alcohols","Ethers","3-methoxy-3-methyl-1-butanol","CC(C)(CCO)OC","C6H14O2","Marquardt (2015)","IQT","0","10","3.02","0.693","1.761","2.453","1","0","0","2","0.497","1.108","0.553","6.969","0","0","7.942"
-"UMLCN0029","L","Alcohols","","3,7-dimethyl-1-octanol","CC(C)CCCC(C)CCO","C10H22O","Marquardt (2015)","IQT","0","29.3","6.634","1.946","2.733","2.645","1","-1.893","0","1","0.36","1.554","1.025","5.916","0","0","6.77"
-"UMLCN0031","L","Cyclic Ethers","Alcohols","tetrahydrofurfuryl alcohol","C1CC(OC1)CO","C5H10O2","Marquardt (2015)","IQT","0","17.9","1.655","1.609","0.371","2.441","1","0","0","2","0.532","1.3","0.132","5.778","0","0","7.986"
-"UMLCN0032","L","Alcohols","","isobutanol","CC(C)CO","C4H10O","NREL (2014)","IQT","0","8.5","2.196","0","1.26","2.144","1","0","0","1","0.492","0.784","0.03","4.762","0","0","4.287"
-"UMLCN0033","L","Alcohols","","2-nonanol","CCCCCCCC(C)O","C9H20O","NREL (2014)","IQT","0","39.6","7.045","1.792","0.525","2.909","1","0","0","1","0.336","1.506","0.54","5.407","0","0","6.252"
-"UMLCN0034","L","Alcohols","","2-butanol","CCC(C)O","C4H10O","NREL (2014)","IQT","0","8.5","2.196","0","0.634","2.361","1","0","0","1","0.492","1.025","0.109","4.762","0","0","4.722"
-"UMLCN0036","L","Alcohols","","pentan-1-ol","CCCCCO","C5H12O","NREL (2014)","CFR","0","18.2","4.929","0.693","0.342","2.197","1","0","0","1","0.438","1.199","0","4.043","0","0","4.636"
-"UMLCN0037","L","Alcohols","","nonan-1-ol","CCCCCCCCCO","C9H20O","NREL (2014)","CFR","0","45","8.926","1.792","0.342","2.469","1","0","0","1","0.321","1.506","0.6","4.92","0","0","5.398"
-"UMLCN0039","L","Alcohols","","1-heptanol","CCCCCCCO","C7H16O","NREL (2014)","IQT","0","29","6.927","1.386","0.342","2.366","1","0","0","1","0.367","1.398","0.208","4.575","0","0","5.118"
-"UMLCN0040","L","Alcohols","","1-decanol","CCCCCCCCCCO","C10H22O","NREL (2014)","CFR","0","50","9.926","1.946","0.342","2.507","1","-1.912","0","1","0.304","1.542","0.788","5.056","0","0","5.498"
-"UMLCN0041","L","Alcohols","Cyclic","cyclohexanol","C1CCC(CC1)O","C6H12O","Marquardt (2015)","IQT","0","16.3","1.688","2.197","2.389","2.909","1","0","0","1","0.385","1.026","0","5.638","0","0","5.818"
-"UMLCN0042","L","Alcohols","","hexan-1-ol","CCCCCCO","C6H14O","NREL (2014)","CFR","0","23.3","5.928","1.099","0.342","2.293","1","0","0","1","0.398","1.315","0.103","4.344","0","0","4.914"
-"UMLCN0043","L","Alcohols","","tetradecan-1-ol","CCCCCCCCCCCCCCO","C14H30O","NREL (2014)","CFR","0","80.8","13.925","2.398","0.342","2.61","1","-0.942","0","1","0.257","1.627","1.33","5.468","-0.832","0","5.76"
-"UMLCN0045","L","Alcohols","","2-ethyl-1-hexanol","CCCCC(CC)CO","C8H18O","NREL (2014)","IQT","0","23.5","6.06","1.609","1.856","2.753","1","0","0","1","0.385","1.424","0.366","5.638","0","0","6.145"
-"UMLCN0046","L","Alcohols","","Isopentanol ","CC(C)CCO","C5H12O","NREL (2014)","IQT","0","13.1","3.142","0","1.439","2.237","1","0","0","1","0.476","1.089","0.206","4.963","0","0","4.847"
-"UMLCN0048","L","Alcohols","","1-butanol","CCCCO","C4H10O","NREL (2014)","IQT","0","12","3.93","0","0.342","2.066","1","0","0","1","0.492","1.031","0","3.611","0","0","4.236"
-"UMLCN0050","L","Alcohols","","1-octanol","CCCCCCCCO","C8H18O","NREL (2014)","CFR","0","39.1","7.927","1.609","0.342","2.423","1","0","0","1","0.342","1.459","0.426","4.762","0","0","5.274"
-"UMLCN0051","L","Alcohols","","octan-3-ol","CCCCCC(O)CC","C8H18O","NREL (2014)","IQT","0","25","6.06","1.609","0.542","3.085","1","0","0","1","0.357","1.459","0.506","5.476","0","0","6.576"
-"UMLCN0052","L","Alcohols","Olefins","linalool","CC(=CCCC(C)(C=C)O)C","C10H18O","NREL (2014)","IQT","0","16.5","4.126","2.565","5.824","3.489","1","-1.716","0","1","0.568","1.553","1.033","7.098","0","0","8.575"
-"UMLCN0054","L","Alcohols","","dodecan-1-ol","CCCCCCCCCCCCO","C12H26O","NREL (2014)","CFR","0","63.6","11.925","2.197","0.342","2.566","1","-1.461","0","1","0.278","1.593","1.088","5.283","0","0","5.65"
-"UMLCN0055","L","Alcohols","","2-methyl-2-butanol","CCC(C)(C)O","C5H12O","Marquardt (2015)","IQT","0","12.1","1.596","0","1.726","2.826","1","0","0","1","0.438","1.082","0.329","6.779","0","0","5.653"
-"UMLCN0056","L","Alcohols","","undecan-1-ol","CCCCCCCCCCCO","C11H24O","NREL (2014)","CFR","0","53","10.925","2.079","0.342","2.539","1","-1.711","0","1","0.29","1.57","0.941","5.176","0","0","5.58"
-"UMLCN0057","L","Alcohols","Cyclic","cyclopentanol","C1CCC(C1)O","C5H10O","Marquardt (2015)","IQT","0","9.8","1.105","1.099","1.047","2.729","1","0","0","1","0.429","1.452","0","5.565","0","0","5.458"
-"UMLCN0058","L","Alcohols","Olefins","geraniol","CC(=CCCC(=CCO)C)C","C10H18O","NREL (2014)","IQT","0","19.3","5.858","2.708","3.945","2.553","1","-1.582","0","1","0.489","1.556","1.067","5.916","0","0","6.051"
-"UMLCN0060","L","Aldehydes","","octanal","CCCCCCCC=O","C8H16O","Marquardt (2015)","IQT","0","102.5","7.398","1.792","0.611","2.838","0","0","0","1","0.395","1.448","0.257","4.762","0","0","6.063"
-"UMLCN0061","L","Aldehydes","","hexanal","CCCCCC=O","C6H12O","Marquardt (2015)","IQT","0","75.2","5.412","1.386","0.611","2.68","0","0","0","1","0.47","1.293","0.069","4.344","0","0","5.619"
-"UMLCN0062","L","Aldehydes","","pentanal","CCCCC=O","C5H10O","NREL (2014)","IQT","0","65.1","4.422","1.099","0.611","2.564","0","0","0","1","0.523","1.168","0.008","4.043","0","0","5.273"
-"UMLCN0063","L","Aldehydes","","butanal","CCCC=O","C4H8O","Marquardt (2015)","IQT","0","41.1","3.437","0","0.612","2.405","0","0","0","1","0.591","0.984","0","3.611","0","0","4.81"
-"UMLCN0064","L","Aldehydes","Cycloalkenes","3-cyclohexene-1-carboxaldehyde","C1CC(CC=C1)C=O","C7H10O","Marquardt (2015)","IQT","0","28.1","1.843","3.091","2.763","3.126","0","0","0","1","0.6","1.14","0.039","5.838","0","0","6.702"
-"UMLCN0065","L","Aldehydes","","isobutyraldehyde","CC(C)C=O","C4H8O","Marquardt (2015)","IQT","0","21.1","1.821","0","1.199","2.505","0","0","0","1","0.55","0.761","0","4.762","0","0","5.009"
-"UMLCN0066","L","Aromatics","Ethers","dibenzylether","C1=CC=C(C=C1)COCC2=CC=CC=C2","C14H14O","Marquardt (2015)","IQT","0","8.1","3.528","4.948","1.359","2.106","0","-0.715","-2","1","0.416","1.829","0.063","6.608","-0.575","0","5.097"
-"UMLCN0067","L","Aromatics","Acetals","benzaldehyde dimethyl acetal","COC(C1=CC=CC=C1)OC","C9H12O2","Marquardt (2015)","IQT","0","10.4","3.08","4.372","1.628","1.563","0","-1.422","0","2","0.529","1.246","0.262","6.506","0","0","6.253"
-"UMLCN0068","L","Aromatics","","2,6-dimethylnaphthalene","CC1=CC2=C(C=C1)C=C(C=C2)C","C12H12","NREL (2014)","20% Blend, CFR","0","-7","1.614","5.518","1.378","0.217","0","-1.165","0","0","0.486","1.528","0.272","6.952","-1","0","2.696"
-"UMLCN0069","L","Aromatics","","tert-butylbenzene","CC(C)(C)C1=CC=CC=C1","C10H14","Creton (2011)","Unknown","0","-1","1.797","4.343","4.744","0.225","0","-2","0","0","0.469","1.484","0.537","7.3","0","0","2.451"
-"UMLCN0070","L","Aromatics","Ethers","4-methoxybenzaldehyde","COC1=CC=C(C=C1)C=O","C8H8O2","Marquardt (2015)","IQT","0","25.8","2.185","4.541","1.476","3.165","0","-2","0","2","0.632","1.132","0.297","6.315","0","0","9.126"
-"UMLCN0071","L","Aromatics","","n-hexylbenzene","CCCCCCC1=CC=CC=C1","C12H18","NREL (2014)","Unknown","0","26","4.514","4.29","1.018","0.252","0","-1.419","0","0","0.449","1.605","0.419","6.061","0","0","2.001"
-"UMLCN0072","L","Aromatics","","1-methylnaphthalene","CC1=CC=CC2=CC=CC=C12","C11H10","NREL (2014)","CFR","0","0","1.392","5.388","1.422","0.157","0","-1.639","0","0","0.46","1.437","0.257","6.889","0","0","1.934"
-"UMLCN0073","L","Aromatics","Olefins","2-phenylundec-2-ene","CC(=CCCCCCCCC)C1=CC=CC=C1","C17H26","Creton (2011)","Unknown","0","23","7.457","4.624","4.138","0.384","0","-0.629","-1.772","0","0.437","1.68","1.243","6.616","-0.302","0","3.07"
-"UMLCN0074","L","Aromatics","","2-octylnaphthalene","CCCCCCCCC1=CC2=CC=CC=C2C=C1","C18H24","NREL (2014)","Unknown","0","18","5.26","5.503","1.751","0.349","0","-0.253","-1.507","0","0.426","1.677","0.873","6.984","-0.071","0","3.562"
-"UMLCN0075","L","Aromatics","","1,3-xylene","CC1=CC(=CC=C1)C","C8H10","NREL (2014)","IQT","0","7","1.336","4.202","0.603","0.167","0","0","0","0","0.5","1.18","0","6.075","0","0","1.315"
-"UMLCN0076","L","Aromatics","","2-methyl-2-phenylheptadecane","CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C24H42","NREL (2014)","Unknown","0","39","11.965","4.589","4.982","0.392","0","0.651","-0.886","0","0.31","1.716","2.226","7.555","0.483","0","4.177"
-"UMLCN0077","L","Aromatics","","4-isopropyltoluene","CC1=CC=C(C=C1)C(C)C","C10H14","NREL (2014)","20% Blend, CFR","0","4","2.103","4.467","3.703","0.213","0","-2","0","0","0.498","1.446","0.449","6.532","0","0","2.508"
-"UMLCN0078","L","Aromatics","","2-tert-butylnaphthalene","CC(C)(C)C1=CC2=CC=CC=C2C=C1","C14H16","NREL (2014)","Unknown","0","3","2.069","5.538","5.414","0.287","0","-1","-2","0","0.466","1.645","0.684","7.645","-0.85","0","3.915"
-"UMLCN0079","L","Aromatics","","n-heptylbenzene","CCCCCCCC1=CC=CC=C1","C13H20","NREL (2014)","Unknown","0","35","5.315","4.303","1.02","0.261","0","-1.145","0","0","0.428","1.633","0.656","6.107","-1","0","2.084"
-"UMLCN0080","L","Aromatics","Cyclic","n-octyltetralin","CCCCCCCCC1CCCC2=CC=CC=C12","C18H28","NREL (2014)","Unknown","0","18","5.771","4.845","2.428","0.371","0","-0.224","-1.42","0","0.376","1.671","1.095","7.069","0","0","2.838"
-"UMLCN0081","L","Aromatics","","1,2-diphenylethane","C1=CC=C(C=C1)CCC2=CC=CC=C2","C14H14","NREL (2014)","CFR","0","1","2.971","4.969","1.592","0.183","0","-1","-2","0","0.391","1.805","0.199","6.581","-0.918","0","2.494"
-"UMLCN0082","L","Aromatics","","3-ethyl-3-(beta-naphthyl)nonane","C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2","C21H30","NREL (2014)","Unknown","0","13","5.847","5.626","11.493","0.433","0","0.338","-1.08","0","0.401","1.748","1.554","7.892","0.382","0","5.666"
-"UMLCN0083","L","Aromatics","","sec-butylbenzene","CCC(C)C1=CC=CC=C1","C10H14","NREL (2014)","20% Blend, CFR","0","6","2.495","4.313","3.981","0.259","0","-2","0","0","0.493","1.48","0.453","6.399","0","0","2.231"
-"UMLCN0084","L","Aromatics","","2-methyl-2-(beta-naphthyl)hexane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C17H22","NREL (2014)","Unknown","0","10","3.516","5.578","5.653","0.354","0","-0.618","-1.689","0","0.45","1.704","1.369","7.741","-0.081","0","4.916"
-"UMLCN0085","L","Aromatics","","2-methyl-2-(beta-naphthyl)decane","C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C21H30","NREL (2014)","Unknown","0","18","5.847","5.593","5.653","0.392","0","0.129","-1.041","0","0.401","1.724","1.908","7.775","0.382","0","5.398"
-"UMLCN0086","L","Aromatics","","1,3-diethylbenzene","CCC1=CC(=CC=C1)CC","C10H14","NREL (2014)","Blend (Percentage? Method?)","0","5","2.495","4.44","1.222","0.278","0","-2","0","0","0.48","1.385","0.18","6.326","0","0","2.305"
-"UMLCN0087","L","Aromatics","","1-butylnaphthalene","CCCCC1=CC=CC2=CC=CC=C21","C14H16","NREL (2014)","Unknown","0","6","2.83","5.489","2.437","0.248","0","-0.852","-2","0","0.484","1.567","0.279","6.999","-0.878","0","2.937"
-"UMLCN0088","L","Cycloalkanes ","","decalin","C1CCC2CCCCC2C1","C10H18","Heyne (2009)","IQT","0","37.4","1.967","3.296","3.646","0.06","0","-2","0","0","0.247","1.452","0.162","6.603","0","0","0.713"
-"UMLCN0089","L","Aromatics","Cyclic","tert-butyltetralin","CC(C)(C)C1CCCC2=CC=CC=C12","C14H20","NREL (2014)","Unknown","0","17","2.383","4.876","4.854","0.361","0","-1","-2","0","0.472","1.613","0.681","7.696","-0.832","0","4.118"
-"UMLCN0090","L","Aromatics","","2-phenylundecane","CCCCCCCCCC(C)C1=CC=CC=C1","C17H28","NREL (2014)","Unknown","0","51","7.789","4.439","3.923","0.354","0","-0.633","-1.719","0","0.374","1.682","1.337","6.616","-0.302","0","3.089"
-"UMLCN0091","L","Aromatics","","7-phenyltridecane","CCCCCCC(CCCCCC)C1=CC=CC=C1","C19H32","NREL (2014)","Unknown","0","41","9.493","4.556","5.085","0.324","0","-0.035","-1.497","0","0.349","1.656","1.247","6.735","0","0","3.506"
-"UMLCN0092","L","Aromatics","","n-butylbenzene","CCCCC1=CC=CC=C1","C10H14","NREL (2014)","IQT","0","12","3.007","4.262","1.018","0.225","0","-2","0","0","0.493","1.508","0.189","5.964","0","0","1.749"
-"UMLCN0093","L","Aromatics","","4-phenyldodecane","CCCCCCCCC(CCC)C1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","42","8.634","4.535","4.649","0.303","0","-0.482","-1.627","0","0.361","1.672","1.16","6.711","0","0","3.35"
-"UMLCN0094","L","Aromatics","Aldehydes","alpha-methyl-trans-cinnamaldehyde","CC(=CC1=CC=CC=C1)C=O","C10H10O","Marquardt (2015)","IQT","0","19.1","2.617","4.607","2.39","3.241","0","-1.824","0","1","0.57","1.497","0.052","6.286","0","0","6.482"
-"UMLCN0095","L","Aromatics","","5-methyl-5-(beta-naphthyl)nonane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC","C20H28","NREL (2014)","Unknown","0","12","5.228","5.624","5.573","0.461","0","0.113","-1.041","0","0.413","1.74","1.422","7.831","0","0","5.617"
-"UMLCN0096","L","Aromatics","Cyclic","1-butyltetralin","CCCCC1CCCC2=CC=CC=C12","C14H20","Creton (2011)","Unknown","0","18","3.232","4.813","2.433","0.342","0","-0.902","-2","0","0.445","1.578","0.54","6.999","-0.878","0","2.641"
-"UMLCN0097","L","Aromatics","","n-nonylbenzene","CCCCCCCCCC1=CC=CC=C1","C15H24","NREL (2014)","Unknown","0","50","6.984","4.33","1.02","0.273","0","-1","-2","0","0.393","1.669","0.907","6.192","-0.755","0","2.204"
-"UMLCN0098","L","Aromatics","","1,2,4-trimethylbenzene ","CC1=CC(C)=C(C)C=C1","C9H12","NREL (2014)","IQT","0","8.9","1.564","4.427","0.573","0.204","0","0","0","0","0.464","1.239","0.547","6.503","0","0","1.789"
-"UMLCN0099","L","Aromatics","","2-phenyltetradecane","CCCCCCCCCCCCC(C)C1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","49","10.363","4.474","3.923","0.364","0","0.06","-1.241","0","0.338","1.704","1.62","6.693","0.131","0","3.208"
-"UMLCN0100","L","Aromatics","Cyclic","tetralin","C1CCC2=CC=CC=C2C1","C10H12","NREL (2014)","IQT","0","8.9","1.463","4.613","2.124","0.258","0","-1.814","0","0","0.504","1.435","0.092","6.603","0","0","1.606"
-"UMLCN0101","L","Cycloalkenes","","cyclohexene","C1CCC=CC1","C6H10","Marquardt (2015)","IQT","0","18.1","1.313","2.485","2.586","0.267","0","0","0","0","0.489","0.984","0","4.89","0","0","1.069"
-"UMLCN0102","L","Aromatics","","isopropylbenzene","CC(C)C1=CC=CC=C1","C9H12","Creton (2011)","Unknown","0","15","1.885","4.251","3.765","0.204","0","0","0","0","0.492","1.405","0.259","6.29","0","0","1.854"
-"UMLCN0103","L","Aromatics","","2-phenyloctane","CCCCCCC(C)C1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","33","5.359","4.403","3.923","0.335","0","-1","0","0","0.419","1.637","1.019","6.532","-0.927","0","2.889"
-"UMLCN0104","L","Aromatics","Cyclic","1,4-dioctyltetralin","C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC","C26H44","Creton (2011)","Unknown","0","26","11.09","5.049","2.781","0.449","0","0.908","-0.39","0","0.299","1.679","2.349","7.386","1.099","0","4.311"
-"UMLCN0105","L","Aromatics","","1,2-dimethylbenzene","CC1=CC=CC=C1C","C8H10","NREL (2014)","CFR","0","8","1.336","4.202","0.627","0.12","0","0","0","0","0.5","1.105","0.665","6.24","0","0","1.194"
-"UMLCN0106","L","Olefins","Cyclic","gamma-terpinene","CC1=CCC(=CC1)C(C)C","C10H16","Marquardt (2015)","IQT","0","20.3","2.311","3.807","5.048","0.375","0","-1.601","0","0","0.471","1.461","0.847","6.532","0","0","2.896"
-"UMLCN0107","L","Aromatics","","2-methyl-2-phenylpentadecane","CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C22H38","Creton (2011)","Unknown","0","39","10.286","4.569","4.977","0.388","0","0.306","-1","0","0.326","1.709","2.095","7.534","0.268","0","4.12"
-"UMLCN0108","L","Aromatics","Ethers","1,2-dimethoxybenzene","COC1=CC=CC=C1OC","C8H10O2","Marquardt (2015)","IQT","0","13.4","2.427","4.404","0.979","1.511","0","-2","0","2","0.541","1.075","0.363","6.475","0","0","6.045"
-"UMLCN0109","L","Aromatics","","diphenylmethane","C1=CC=C(C=C1)CC2=CC=CC=C2","C13H12","NREL (2014)","Unknown","0","11","2.42","5.03","2.418","0.16","0","-1","0","0","0.365","1.764","0.172","6.561","-1","0","2.131"
-"UMLCN0110","L","Aromatics","","n-dodecylbenzene","CCCCCCCCCCCCC1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","68","9.608","4.369","1.018","0.284","0","-0.239","-1.546","0","0.351","1.698","1.169","6.308","0","0","2.32"
-"UMLCN0111","L","Aromatics","","n-tetradecylbenzene","CCCCCCCCCCCCCCC1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","72","11.413","4.394","1.018","0.289","0","0.144","-1.181","0","0.329","1.709","1.344","6.378","0.097","0","2.374"
-"UMLCN0112","L","Olefins","Cyclic","1,5-cyclooctadiene","C1CC=CCCC=C1","C8H12","Marquardt (2015)","IQT","0","25.7","2.441","3.045","7.001","0.267","0","0","0","0","0.431","1.282","0.215","5.081","0","0","2.139"
-"UMLCN0114","L","Esters","Olefins","isopropyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC(C)C","C21H40O2","NREL (2014)","Other Ignition Delay Method","0","86.6","17.246","3.219","3.582","4.356","0","0.594","-0.839","2","0.332","1.666","1.955","6.425","0.464","0","13.922"
-"UMLCN0115","L","Ethers","","1-methoxyhexane","CCCCCCOC","C7H16O","Marquardt (2015)","IQT","0","99.8","6.927","1.386","0.27","1.388","0","0","0","1","0.35","1.338","0.476","4.575","0","0","3.207"
-"UMLCN0116","L","Ethers","","diisoamyl ether","CC(C)CCOCCC(C)C","C10H22O","NREL (2014)","IQT","0","96.2","6.634","1.946","2.655","1.955","0","-1.694","0","1","0.329","1.597","0.755","5.796","0","0","5.734"
-"UMLCN0117","L","Esters","Olefins","2-ethylhexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC","C26H50O2","NREL (2014)","Other Ignition Delay Method","0","88","22.159","3.584","4.761","4.84","0","1.13","-0.029","2","0.305","1.705","2.391","6.678","1.215","0","16.447"
-"UMLCN0118","L","Ethers","Cyclic","cyclopentyl methyl ether","COC1CCCC1","C6H12O","Marquardt (2015)","IQT","0","47.3","1.688","1.609","0.903","1.611","0","0","0","1","0.368","1.452","0.346","5.778","0","0","3.222"
-"UMLCN0119","L","Esters","","2-ethylhexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C24H48O2","NREL (2014)","Other Ignition Delay Method","0","98","20.649","3.367","2.238","4.816","0","0.779","-0.3","2","0.255","1.703","1.685","6.627","0.876","0","14.929"
-"UMLCN0120","L","Esters","","methyl octanoate","CCCCCCCC(=O)OC","C9H18O2","NREL (2014)","CFR","0","33.6","7.484","2.079","0.234","3.622","0","-1.842","0","2","0.385","1.457","0.766","5.631","0","0","9.642"
-"UMLCN0121","L","Esters","Olefins","propyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCC","C21H40O2","NREL (2014)","Blend","0","72","18.897","3.296","3.008","4.304","0","0.679","-0.679","2","0.326","1.666","1.883","6.263","0.532","0","13.756"
-"UMLCN0122","L","Ethers","Alcohols","3-(3-methoxypropoxy)propan-1-ol","COCCCOCCCO","C7H16O3","NREL (2014)","IQT","0","43.9","8.779","1.792","0.175","2.364","1","0","0","3","0.427","1.412","0.577","4.92","0","0","10.639"
-"UMLCN0123","L","Ethers","","diisopropyl ether","CC(OC(C)C)C","C6H14O","Marquardt (2015)","IQT","0","23.6","3.011","0","2.424","1.75","0","0","0","1","0.319","1.351","0.286","5.541","0","0","3.833"
-"UMLCN0124","L","Esters","","methyl decanoate","CCCCCCCCCC(=O)OC","C11H22O2","Marquardt (2015)","IQT","0","52.7","9.45","2.303","0.234","3.725","0","-1.177","0","2","0.344","1.539","1.024","5.765","0","0","10.001"
-"UMLCN0125","L","Esters","","propyl stearate ","CCCCCCCCCCCCCCCCCC(=O)OCCC","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","80.5","19.371","3.091","0.485","4.314","0","0.667","-0.7","2","0.253","1.668","1.684","6.263","0.532","0","12.386"
-"UMLCN0126","L","Esters","","2-butyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)CC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","98","18.68","3.135","1.263","4.524","0","0.667","-0.65","2","0.254","1.669","1.548","6.512","0.548","0","13.261"
-"UMLCN0127","L","Esters","","isopropyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)C","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","97","17.698","2.996","1.059","4.365","0","0.552","-0.891","2","0.26","1.668","1.637","6.425","0.464","0","12.548"
-"UMLCN0130","L","Esters","Olefins","isobutyl oleate ","CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","60","18.226","3.401","3.917","4.45","0","0.713","-0.676","2","0.336","1.667","1.828","6.447","0.533","0","14.49"
-"UMLCN0131","L","Esters","","butyl myristate","CCCCCCCCCCCCCC(=O)OCCCC","C18H36O2","NREL (2014)","CFR","0","69.4","16.387","2.944","0.485","4.356","0","0.194","-1.242","2","0.274","1.63","1.545","6.142","0.02","0","12.727"
-"UMLCN0132","L","Esters","","hexyl acetate","CCCCCCOC(=O)C","C8H16O2","NREL (2014)","IQT","0","32.2","6.507","1.946","0.263","3.254","0","0","0","2","0.411","1.373","0.544","5.407","0","0","9.325"
-"UMLCN0134","L","Esters","","methyl hexanoate","CCCCCC(=O)OC","C7H14O2","Marquardt (2015)","IQT","0","25.3","5.534","1.792","0.234","3.464","0","0","0","2","0.442","1.319","0.501","5.476","0","0","9.061"
-"UMLCN0135","L","Esters","","methyl valerate","CCCCC(=O)OC","C6H12O","Marquardt (2015)","IQT","0","13.3","4.569","1.609","0.234","3.348","0","0","0","2","0.479","1.222","0.204","5.389","0","0","8.613"
-"UMLCN0136","L","Ethers","","diisobutyl ether","CC(C)COCC(C)C","C8H18O","Marquardt (2015)","IQT","0","59.7","4.783","1.609","2.27","1.856","0","0","0","1","0.326","1.521","0.051","5.666","0","0","5.049"
-"UMLCN0138","L","Esters","Olefins","2-butyl oleate","O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","72","18.226","3.332","3.787","4.515","0","0.68","-0.631","2","0.324","1.667","1.926","6.512","0.548","0","14.636"
-"UMLCN0139","L","Ethers","Alcohols","triethylene glycol monomethyl ether","COCCOCCOCCO","C7H16O4","NREL (2014)","IQT","0","80.7","9.705","1.946","0.253","2.321","1","-1.411","0","4","0.39","1.349","0.15","5.056","0","0","13.242"
-"UMLCN0140","L","Ethers","","1,6-dimethoxyhexane","COCCCCCCOC","C8H18O2","NREL (2014)","Blend (Method?)","0","88","8.853","1.792","0.091","1.417","0","0","0","2","0.342","1.359","0.873","4.92","0","0","5.668"
-"UMLCN0141","L","Ethers","","1,2-dimethoxyethane","COCCOC","C4H10O2","NREL (2014)","IQT","0","81","4.858","0.693","0.124","1.157","0","0","0","2","0.396","1.041","0.204","4.043","0","0","4.629"
-"UMLCN0142","L","Esters","","ethyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC","C16H32O2","NREL (2014)","CFR","0","67","14.4","2.708","0.293","4.081","0","-0.05","-1.559","2","0.291","1.627","1.452","6.052","-0.318","0","11.472"
-"UMLCN0143","L","Esters","","butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCCC","C20H40O2","NREL (2014)","Blend (5%-7%)","0","89","18.376","3.045","0.485","4.397","0","0.447","-0.812","2","0.259","1.652","1.667","6.225","0.468","0","12.864"
-"UMLCN0144","L","Esters","","n-butyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OCCCC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","86","20.367","3.135","0.485","4.43","0","0.702","-0.584","2","0.247","1.668","1.775","6.301","0.597","0","12.972"
-"UMLCN0146","L","Esters","","ethyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC","C18H36O2","NREL (2014)","Blend","0","80","16.387","2.833","0.293","4.122","0","0.212","-1.134","2","0.274","1.65","1.612","6.142","0.126","0","11.605"
-"UMLCN0147","L","Ethers","Alcohols","2-methoxyethanol","COCCO","C3H8O2","NREL (2014)","IQT","0","15.5","3.861","0","0.162","1.941","1","0","0","2","0.568","0.95","0.068","3.611","0","0","5.764"
-"UMLCN0148","L","Esters","","methyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OC","C19H38O2","NREL (2014)","CFR","0","86","17.381","2.89","0.234","3.923","0","0.381","-1.008","2","0.257","1.667","1.771","6.172","0.213","0","10.662"
-"UMLCN0149","L","Esters","","butyl butanoate","CCCCOC(=O)CCC","C8H16O2","NREL (2014)","IQT","0","18","6.507","1.946","0.485","3.696","0","0","0","2","0.421","1.501","0.343","5.58","0","0","10.313"
-"UMLCN0150","L","Esters","","methyl dodecanoate","CCCCCCCCCCCC(=O)OC","C13H26O2","NREL (2014)","IQT","0","66.5","11.426","2.485","0.234","3.797","0","-0.616","0","2","0.314","1.591","1.269","5.883","-0.831","0","10.246"
-"UMLCN0152","L","Esters","","methyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC","C17H34O2","NREL (2014)","IQT","0","85.9","15.393","2.773","0.234","3.891","0","0.07","-1.41","2","0.272","1.65","1.634","6.084","-0.18","0","10.557"
-"UMLCN0153","L","Esters","Olefins","methyl sorbate ","CC=CC=CC(=O)OC","C7H10O2","NREL (2014)","IQT","0","6","4.742","2.944","0.298","3.344","0","0","0","2","0.628","1.277","0.26","5.476","0","0","8.362"
-"UMLCN0154","L","Esters","","ethyl decanoate","CCCCCCCCCC(=O)OCC","C12H24O2","NREL (2014)","CFR","0","51","10.437","2.398","0.293","3.956","0","-0.939","0","2","0.34","1.543","1.055","5.844","-0.975","0","11.054"
-"UMLCN0155","L","Esters","Olefins","methyl palmitoleate","CCCCCCC=CCCCCCCCC(=O)OC","C17H32O2","NREL (2014)","IQT","0","56.6","14.928","3.045","2.758","3.882","0","0.078","-1.321","2","0.36","1.648","1.53","6.084","-0.18","0","11.832"
-"UMLCN0156","L","Esters","","butyl valerate","CCCCC(=O)OCCCC","C9H18O2","Marquardt (2015)","IQT","0","23.5","7.484","2.303","0.485","3.855","0","-1.627","0","2","0.396","1.533","0.553","5.652","0","0","10.904"
-"UMLCN0157","L","Ethers","","acetal","CC(OCC)OCC","C6H14O2","Marquardt (2015)","IQT","0","54.1","5.017","1.099","0.476","1.56","0","0","0","2","0.373","1.303","0.075","5.416","0","0","6.24"
-"UMLCN0158","L","Esters","Olefins","vinyl laurate","CCCCCCCCCCCC(=O)OC=C","C14H26O2","Marquardt (2015)","IQT","0","77","11.961","2.639","1.226","3.957","0","-0.493","-1.93","2","0.391","1.593","1.314","5.953","-0.704","0","11.369"
-"UMLCN0159","L","Ethers","Alcohols","1-butoxy-2-propanol","CCCCOCC(C)O","C7H16O2","NREL (2014)","IQT","0","36.1","5.996","1.609","0.527","2.727","1","0","0","2","0.449","1.444","0.173","5.313","0","0","8.858"
-"UMLCN0160","L","Ethers","","diethylene glycol dimethyl ether","COCCOCCOC","C6H14O3","NREL (2014)","Blend","0","109","7.781","1.609","0.17","1.564","0","0","0","3","0.351","1.278","0.19","4.762","0","0","8.154"
-"UMLCN0161","L","Esters","","sec-butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)CC","C20H40O2","Creton (2011)","Unknown","0","84.8","16.717","3.045","1.263","4.491","0","0.418","-0.948","2","0.266","1.654","1.436","6.45","0.408","0","13.153"
-"UMLCN0162","L","Esters","","butyl decanoate","CCCCCCCCCC(=O)OCCCC","C14H28O2","NREL (2014)","CFR","0","55","12.416","2.708","0.485","4.231","0","-0.506","-1.9","2","0.313","1.573","1.227","5.953","-0.67","0","12.298"
-"UMLCN0163","L","Ethers","Olefins","1,4-cyclohexanedimethanol divinyl ether","C=COCC1CCC(CC1)COC=C","C12H20O2","Marquardt (2015)","IQT","0","61.1","5.572","3.367","3.171","1.706","0","-0.89","0","2","0.49","1.414","0.826","6.469","-0.991","0","9.012"
-"UMLCN0164","L","Esters","Olefins","methyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC","C19H36O2","NREL (2014)","CFR","0","56","16.911","3.135","2.758","3.914","0","0.515","-0.93","2","0.337","1.665","1.871","6.172","0.213","0","12.015"
-"UMLCN0165","L","Ethers","Olefins","dodecyl vinyl ether","C=COCCCCCCCCCCCC","C14H28O","Marquardt (2015)","IQT","0","101.7","13.428","2.485","0.67","1.569","0","-0.852","0","1","0.34","1.598","1.34","5.468","-0.871","0","4.72"
-"UMLCN0166","L","Ethers","Alcohols","1-methoxy-2-propanol","CC(COC)O","C4H10O2","Marquardt (2015)","IQT","0","16.3","3.085","0","0.637","2.427","1","0","0","2","0.567","1.039","0.02","4.963","0","0","6.961"
-"UMLCN0167","L","Esters","","propyl decanoate","CCCCCCCCCC(=O)OCCC","C13H26O2","NREL (2014)","CFR","0","53","11.426","2.639","0.485","4.115","0","-0.656","0","2","0.325","1.551","1.064","5.9","-0.868","0","11.706"
-"UMLCN0168","L","Esters","Olefins","propyl linolenate","CCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C21H36O2","NREL (2014)","Other Ignition Delay Method","0","27","17.966","3.664","7.253","4.295","0","0.779","-0.468","2","0.412","1.672","1.56","6.263","0.532","0","14.863"
-"UMLCN0169","L","Esters","","methyl heptanoate","CCCCCCC(=O)OC","C8H16O2","Marquardt (2015)","IQT","0","34.2","6.507","1.946","0.234","3.553","0","0","0","2","0.411","1.397","0.545","5.557","0","0","9.39"
-"UMLCN0170","L","Esters","Olefins","butyl linolenate","CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C22H38O2","NREL (2014)","Other Ignition Delay Method","0","29","18.955","3.689","7.253","4.411","0","0.865","-0.44","2","0.401","1.672","1.753","6.301","0.597","0","15.476"
-"UMLCN0171","L","Esters","","ethyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC","C20H40O2","NREL (2014)","CFR","0","76.8","18.376","2.944","0.293","4.155","0","0.425","-0.903","2","0.259","1.668","1.742","6.225","0.392","0","11.71"
-"UMLCN0172","L","Esters","Olefins","ethyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC","C20H38O2","NREL (2014)","Other Ignition Delay Method","0","61","17.904","3.178","2.816","4.146","0","0.536","-0.851","2","0.336","1.665","1.939","6.225","0.392","0","13.078"
-"UMLCN0174","L","Esters","Olefins","butyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCCC","C22H40O2","NREL (2014)","Other Ignition Delay Method","0","54","19.42","3.555","5.157","4.415","0","0.775","-0.558","2","0.367","1.668","1.836","6.301","0.597","0","15.194"
-"UMLCN0175","L","Esters","","ethyl valerate","CCCCC(=O)OCC","C7H14O2","Marquardt (2015)","IQT","0","18.6","5.534","1.792","0.293","3.58","0","0","0","2","0.449","1.349","0.253","5.501","0","0","9.679"
-"UMLCN0176","L","Esters","","propyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCC","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","85","17.381","2.996","0.487","4.281","0","0.411","-1.1","2","0.266","1.651","1.563","6.184","0.127","0","12.277"
-"UMLCN0177","L","Esters","","propyl valerate","CCCCC(=O)OCCC","C8H16O","Marquardt (2015)","IQT","0","20.7","6.507","2.197","0.485","3.739","0","0","0","2","0.421","1.464","0.312","5.58","0","0","10.311"
-"UMLCN0178","L","Ethers","","2-ethoxyethyl ether","CCOCCOCCOCC","C8H18O3","NREL (2014)","Other Ignition Delay Method","0","123","9.778","1.946","0.14","1.688","0","-1.406","0","3","0.312","1.39","0.199","5.056","0","0","9.672"
-"UMLCN0179","L","Esters","Cyclic Ethers","tetrahydrofurfuryl acetate","CC(=O)OCC1CCCO1","C7H12O3","Marquardt (2015)","IQT","0","18.2","2.842","2.565","0.543","3.323","0","-1.754","0","3","0.513","1.347","0.227","6.163","0","0","12.621"
-"UMLCN0180","L","Ethers","","1,4-diethoxybutane","CCOCCCCOCC","C8H18O2","NREL (2014)","Blend (Method?)","0","97","8.853","1.792","0.06","1.658","0","0","0","2","0.342","1.364","0.712","4.92","0","0","6.698"
-"UMLCN0181","L","Esters","","methyl tetradecanoate","CCCCCCCCCCCCCC(=O)OC","C15H30O2","Marquardt (2015)","IQT","0","75.8","13.407","2.639","0.234","3.85","0","-0.279","-1.798","2","0.29","1.626","1.469","5.989","-0.511","0","10.423"
-"UMLCN0182","L","Esters","Ketones","ethyl acetoacetate","CCOC(=O)CC(=O)C","C6H10O3","Marquardt (2015)","IQT","0","13.7","3.894","1.609","0.383","3.41","0","0","0","3","0.554","1.315","0.165","5.82","0","0","15.263"
-"UMLCN0183","L","Esters","","isobutyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCC(C)C","C20H40O2","NREL (2014)","Unknown","0","84","16.717","3.135","1.393","4.427","0","0.431","-1","2","0.28","1.653","1.418","6.382","0.127","0","13.013"
-"UMLCN0184","L","Esters","","isopropyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)C","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","83","15.737","2.89","1.059","4.333","0","0.344","-1","2","0.273","1.652","1.517","6.358","0.126","0","12.444"
-"UMLCN0185","L","Esters","","ethyl hexanoate","CCCCCC(=O)OCC","C8H16O2","NREL (2014)","IQT","0","27.8","6.507","1.946","0.293","3.696","0","0","0","2","0.421","1.382","0.476","5.58","0","0","10.123"
-"UMLCN0186","L","Ethers","","dibutoxymethane","CCCCOCOCCCC","C9H20O2","NREL (2014)","Unknown","0","74","9.852","1.946","1.302","1.698","0","-1.596","0","2","0.349","1.54","0.278","5.056","0","0","7.41"
-"UMLCN0188","L","Esters","Olefins","propyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCC","C21H38O2","NREL (2014)","Other Ignition Delay Method","0","42.5","18.428","3.526","5.157","4.299","0","0.722","-0.635","2","0.377","1.668","1.638","6.263","0.532","0","14.587"
-"UMLCN0189","L","Esters","Ethers","2-ethoxyethyl acetate","CCOCCOC(C)=O","C6H12O3","NREL (2014)","Blend (20%, method?)","0","40","5.473","1.792","0.116","3.129","0","0","0","3","0.482","1.304","0.113","5.313","0","0","11.232"
-"UMLCN0190","L","Esters","Olefins","methyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OC","C19H34O2","NREL (2014)","IQT","0","43.9","16.447","3.401","4.906","3.909","0","0.525","-0.859","2","0.393","1.667","1.605","6.172","0.213","0","12.835"
-"UMLCN0191","L","Esters","Cyclic","menthyl acetate","CC1CCC(C(C1)OC(=O)C)C(C)C","C12H22O2","Marquardt (2015)","IQT","0","19.5","4.121","3.497","4.913","3.965","0","-1","0","2","0.393","1.477","0.866","7.041","-0.987","0","13.086"
-"UMLCN0192","L","Ethers","","dibutyl ether","CCCCOCCCC","C8H18O","Marquardt (2015)","IQT","0","115.4","7.927","1.609","0.461","1.814","0","0","0","1","0.326","1.506","0.333","4.762","0","0","4.364"
-"UMLCN0194","L","Ethers","","diethoxymethane","CCOCOCC","C5H12O2","Marquardt (2015)","IQT","0","57.3","5.856","1.099","0.889","1.352","0","0","0","2","0.4","1.303","0.078","4.344","0","0","5.407"
-"UMLCN0195","L","Ethers","Alcohols","2-isopropoxyethanol","CC(C)OCCO","C5H12O2","Marquardt (2015)","IQT","0","27.8","4.045","1.099","0.892","2.19","1","0","0","2","0.488","1.255","0.212","5.094","0","0","7.262"
-"UMLCN0196","L","Ethers","Alcohols","dipropylene glycol monomethyl ether","CCC(O)OCCCOC","C7H16O3","Marquardt (2015)","IQT","0","43.9","6.914","1.792","0.331","2.894","1","0","0","3","0.477","1.411","0.699","5.557","0","0","11.317"
-"UMLCN0197","L","Ethers","Alcohols","ethylene glycol vinyl ether","C=COCCO","C6H12O3","Marquardt (2015)","IQT","0","14","4.4","1.099","0.562","2.025","1","0","0","2","0.723","1.177","0","4.043","0","0","6.572"
-"UMLCN0198","L","Ethers","Esters","propylene glycol monomethyl ether acetate","CC(COC)OC(=O)C","C6H12O3","Marquardt (2015)","IQT","0","24","4.274","1.609","0.894","3.251","0","0","0","3","0.534","1.233","0.183","5.82","0","0","11.41"
-"UMLCN0199","L","Cyclic Esters","","gamma-undecanolactone","CCCCCCCC1CCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","52.6","5.065","2.996","2.466","3.766","0","-0.992","0","2","0.36","1.521","0.681","6.389","-1.01","0","11.233"
-"UMLCN0200","L","Cyclic Esters","","delta-undecalactone","CCCCCCC1CCCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","48.6","5.065","3.135","2.053","3.94","0","-0.827","0","2","0.36","1.583","0.593","6.368","-1.085","0","11.753"
-"UMLCN0201","L","Cyclic Esters","","epsilon-decalactone","CCCCC1CCCCC(=O)O1","C10H18O2","Marquardt (2015)","IQT","0","40.5","4.303","3.091","2.23","4.034","0","-1.309","0","2","0.381","1.545","0.491","6.312","0","0","11.948"
-"UMLCN0202","L","Cyclic Esters","","whiskey lactone","CCCCC1C(CC(=O)O1)C","C9H16O2","Marquardt (2015)","IQT","0","27.2","3.068","3.091","3.491","3.805","0","-1.46","0","2","0.444","1.471","0.373","6.673","0","0","11.369"
-"UMLCN0203","L","Ketones","Esters","butyl levulinate","CCCCOC(=O)CCC(=O)C","C9H16O3","NREL (2014)","IQT","0","14.4","6.587","2.773","0.304","3.848","0","-1.359","0","3","0.475","1.524","0.621","5.969","0","0","17.382"
-"UMLCN0204","L","Ketones","","3-octanone","CCCCCC(=O)CC","C8H16O","NREL (2014)","IQT","0","36","5.596","1.792","0.399","3.687","0","0","0","1","0.373","1.448","0.342","5.476","0","0","7.672"
-"UMLCN0205","L","Ketones","Cyclic","cycloheptanone","C1CCCC(=O)CC1","C7H12O","Marquardt (2015)","IQT","0","22.5","2.073","2.485","3.65","3.683","0","0","0","1","0.38","1.568","0.201","5.666","0","0","7.366"
-"UMLCN0206","L","Ketones","","2-nonanone","CCCCCCCC(=O)C","C9H18O","Marquardt (2015)","IQT","0","46.1","6.57","1.946","0.537","3.476","0","0","0","1","0.356","1.491","0.522","5.407","0","0","7.352"
-"UMLCN0207","L","Ketones","","4-methyl-2-pentanone","CC(C)CC(=O)C","C6H12O","Marquardt (2015)","IQT","0","12.6","2.655","0","1.692","3.254","0","0","0","1","0.442","1.24","0.235","5.541","0","0","6.681"
-"UMLCN0208","L","Ketones","","3-pentanone","CCC(=O)CC","C5H10O","NREL (2014)","IQT","0","14.6","2.733","0","0.345","3.181","0","0","0","1","0.418","1.195","0","5.153","0","0","6.361"
-"UMLCN0209","L","Ketones","Cyclic","3,3,5-trimethylcyclohexanone","CC1CC(=O)CC(C1)(C)C","C9H16O","Marquardt (2015)","IQT","0","11.9","1.846","2.833","6.395","4.089","0","-1.863","0","1","0.416","1.342","0.336","7.298","0","0","9.234"
-"UMLCN0210","L","Ketones","","2-octanone","CCCCCCC(=O)C","C8H16O","Marquardt (2015)","IQT","0","36.6","5.596","1.792","0.269","3.407","0","0","0","1","0.38","1.442","0.4","5.313","0","0","7.163"
-"UMLCN0211","L","Ketones","Cyclic","menthone","CC1CCC(C(=O)C1)C(C)C","C10H18O","Marquardt (2015)","IQT","0","20.6","2.695","3.045","4.417","4.446","0","-1.594","0","1","0.401","1.477","0.867","6.843","0","0","9.848"
-"UMLCN0212","L","Ketones","Alcohols","4-hydroxy-4-methyl-2-pentanone","CC(=O)CC(C)(C)O","C6H12O2","Marquardt (2015)","IQT","0","11.5","2.167","0","1.828","3.299","1","0","0","2","0.537","1.241","0.27","6.936","0","0","12.533"
-"UMLCN0213","L","Ketones","","2,4-dimethyl-3-pentanone","CC(C)C(=O)C(C)C","C7H14O","NREL (2014)","IQT","0","14.4","2.741","0","2.442","3.843","0","0","0","1","0.355","1.351","0.382","6.326","0","0","7.685"
-"UMLCN0214","L","Ketones","","cyclohexanone","C1CCC(=O)CC1","C6H10O","Marquardt (2015)","IQT","0","10.4","1.452","2.398","3.778","3.463","0","0","0","1","0.416","1.019","0","5.638","0","0","6.926"
-"UMLCN0215","L","Ketones","","2-heptanone","CCCCCC(C)=O","C7H14O","NREL (2014)","IQT","0","30","4.629","1.609","0.269","3.319","0","0","0","1","0.408","1.378","0.282","5.209","0","0","6.915"
-"UMLCN0216","L","Naphthenes","","1-methyl-3-dodecylcyclohexane","CCCCCCCCCCCCC1CCCC(C1)C","C19H38","NREL (2014)","Unknown","0","70","10.587","3.258","4.996","0.449","0","-0.313","-1.414","0","0.212","1.698","1.585","6.555","0","0","1.684"
-"UMLCN0217","L","Naphthenes","","cyclohexyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1","C26H52","Creton (2011)","Unknown","0","66","16.982","3.638","4.599","0.364","0","0.925","-0.543","0","0.187","1.714","2.103","6.889","1.058","0","1.825"
-"UMLCN0218","L","Naphthenes","","methylcyclohexane","CC1CCCCC1","C7H14","Marquardt (2015)","IQT","0","24.4","1.722","2.197","2.72","0.36","0","0","0","0","0.296","1.194","0.016","5.638","0","0","0.721"
-"UMLCN0219","L","Naphthenes","","propylcyclohexane","CCCC1CCCCC1","C9H18","Creton (2011)","Unknown","0","52","3.097","2.565","2.86","0.3","0","0","0","0","0.262","1.439","0.31","5.911","0","0","0.706"
-"UMLCN0220","L","Naphthenes","","bicyclohexyl","C1CCC(CC1)C1CCCCC1","C12H22","NREL (2014)","Unknown","0","51","3.076","3.367","4.565","0.06","0","-1","0","0","0.227","1.641","0.759","6.655","-1","0","0.781"
-"UMLCN0221","L","Naphthenes","","cyclohexane","C1CCCCC1","C6H12","Marquardt (2015)","IQT","0","20","1.543","1.946","2.719","0","0","0","0","0","0.22","1.019","0","4.89","0","0","0"
-"UMLCN0222","L","Naphthenes","","n-butyldecalin","CCCCC1CCCC2C1CCCC2","C14H26","NREL (2014)","Unknown","0","31","3.895","3.689","6.171","0.335","0","-0.92","-2","0","0.246","1.575","0.833","6.999","-0.878","0","1.446"
-"UMLCN0223","L","Naphthenes","","1,3,5-trimethylcyclohexane","CC1CC(C)CC(C)C1","C9H18","Marquardt (2015)","IQT","0","30.5","2.151","2.565","2.722","0.381","0","0","0","0","0.304","1.271","0.04","6.389","0","0","2.287"
-"UMLCN0224","L","Naphthenes","","sec-butyldecalin","CCC(C)C1CCCC2C1CCCC2","C14H26","Creton (2011)","Unknown","0","34","3.515","3.738","6.396","0.488","0","-1","-2","0","0.264","1.587","1.104","7.18","-0.847","0","2.255"
-"UMLCN0225","L","Naphthenes","","2-methyl-2-cyclohexylpentadecane","CCCCCCCCCCCCCC(C)(C)C1CCCCC1","C22H44","Creton (2011)","Unknown","0","45","11.322","3.434","5.005","0.541","0","0.303","-1","0","0.212","1.706","2.459","7.534","0.268","0","2.786"
-"UMLCN0226","L","Naphthenes","","2-methyl-2-decalyldecane","CCCCCCCCC(C)(C)C1CCCC2CCCCC12","C21H40","Creton (2011)","Unknown","0","37","7.095","4.007","10.27","0.598","0","0.123","-1","0","0.237","1.7","1.853","7.82","0.382","0","3.496"
-"UMLCN0227","L","Naphthenes","","1,2,4-trimethylcyclohexane","CC1CCC(C(C1)C)C","C9H18","Marquardt (2015)","IQT","0","24.4","2.151","2.708","5.04","0.389","0","0","0","0","0.304","1.325","0.709","6.503","0","0","2.304"
-"UMLCN0228","L","Naphthenes","Aromatics","n-propyltetralin","CCCC1=CC2=C(CCCC2)C=C1","C13H18","NREL (2014)","Unknown","0","8","2.677","4.894","2.42","0.429","0","-1.078","0","0","0.448","1.557","0.404","6.887","-1","0","2.676"
-"UMLCN0229","L","Naphthenes","","cyclohexyltetradecane","CCCCCCCCCCCCCCC1CCCCC1","C20H40","Creton (2011)","Unknown","0","57","12.598","3.219","2.86","0.3","0","0.099","-1.198","0","0.188","1.706","1.55","6.378","0.097","0","0.972"
-"UMLCN0230","L","Naphthenes","","3-cyclohexylhexane","CCCCCCC1CCCCC1","C12H24","NREL (2014)","Unknown","0","36","5.469","2.833","2.86","0.292","0","-1.545","0","0","0.23","1.602","0.647","6.061","0","0","0.836"
-"UMLCN0231","L","Naphthenes","","tert-butyldecalin","CC(C)(C)C1CCCC2CCCCC12","C14H26","NREL (2014)","Unknown","0","24","2.905","3.761","8.401","0.453","0","-1","-2","0","0.287","1.605","0.758","7.696","-0.832","0","2.997"
-"UMLCN0232","L","Naphthenes","","n-propyldecalin","CCCC1CCCC2C1CCCC2","C13H24","NREL (2014)","Unknown","0","35","3.293","3.638","6.171","0.354","0","-1.089","0","0","0.255","1.539","0.637","6.98","-1","0","1.391"
-"UMLCN0233","L","Naphthenes","","n-butylcyclohexane","CCCCC1CCCCC1","C10H20","NREL (2014)","IQT","0","47.8","3.856","2.708","2.86","0.294","0","-2","0","0","0.25","1.513","0.305","5.964","0","0","0.759"
-"UMLCN0234","L","Olefins","","hept-2-ene","CCCCC=CC","C7H14","NREL (2014)","20% Blend, CFR","0","44","5.527","1.609","1.503","0.212","0","0","0","0","0.469","1.388","0.17","4.344","0","0","1.191"
-"UMLCN0235","L","Naphthenes","","ethylcyclohexane","CCC1CCCCC1","C8H16","NREL (2014)","IQT","0","35.8","2.382","2.398","2.918","0.315","0","0","0","0","0.277","1.335","0.268","5.838","0","0","0.673"
-"UMLCN0236","L","Olefins","Cyclic","ethenylcyclohexane","C=CC1CCCCC1","C8H14","Creton (2011)","Unknown","0","38","2.133","2.565","4.859","0.784","0","0","0","0","0.439","1.324","0.098","5.838","0","0","1.789"
-"UMLCN0237","L","Olefins","","1-decene","CCCCCCCCC=C","C10H20","Marquardt (2015)","IQT","0","49.1","8.513","1.946","1.71","0.695","0","0","0","0","0.39","1.542","0.632","4.92","0","0","1.924"
-"UMLCN0238","L","Olefins","","1-hexene","CCCCC=C","C6H12","NREL (2014)","IQT","0","25.8","4.535","1.099","1.709","0.598","0","0","0","0","0.53","1.303","0.128","4.043","0","0","1.564"
-"UMLCN0239","L","Olefins","","2,2,6,6,8,8-hexamethyl-4-methylene-nonane","C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H32","Creton (2011)","Unknown","0","5","4.858","2.565","11.082","1.255","0","-1","-1.825","0","0.329","1.695","1.406","8.032","-0.557","0","7.623"
-"UMLCN0240","L","Olefins","","1-heptene","CCCCCC=C","C7H14","NREL (2014)","IQT","0","32","5.527","1.386","1.71","0.632","0","0","0","0","0.484","1.393","0.221","4.344","0","0","1.688"
-"UMLCN0241","L","Olefins","","1-octene","CCCCCCC=C","C8H16","NREL (2014)","IQT","0","40","6.521","1.609","1.71","0.658","0","0","0","0","0.447","1.457","0.317","4.575","0","0","1.777"
-"UMLCN0242","L","Olefins","","1-hexadecene","CCCCCCCCCCCCCCC=C","C16H32","NREL (2014)","IQT","0","75.9","14.501","2.565","1.71","0.75","0","-0.711","-1.955","0","0.296","1.651","1.4","5.549","-0.663","0","2.143"
-"UMLCN0243","L","Alkanes","","9-methylheptadecane","CCCCCCCCC(C)CCCCCCCC","C18H38","NREL (2014)","Unknown","0","66","15.059","2.708","1.743","0.456","0","-0.547","-1.7","0","0.209","1.66","1.734","6.052","-0.205","0","2.09"
-"UMLCN0244","L","Olefins","","diethylene glycol monomethyl ether","OCCOCCOC","C5H12O3","Marquardt (2015)","IQT","0","38.3","6.783","1.386","0.207","2.2","1","0","0","3","0.452","1.242","0.131","4.575","0","0","9.459"
-"UMLCN0246","L","Alkanes","","5-butyldodecane","CCCCCCCC(CCCC)CCCC","C16H34","NREL (2014)","Unknown","0","45","13.067","2.773","2.364","0.318","0","-1","-1.941","0","0.219","1.618","1.172","6.071","-0.696","0","1.872"
-"UMLCN0247","L","Olefins","","1-dodecene","CCCCCCCCCCC=C","C12H24","NREL (2014)","IQT","0","56.8","10.508","2.197","1.71","0.719","0","-1.678","0","0","0.35","1.594","0.943","5.176","0","0","2.024"
-"UMLCN0248","L","Olefins","","2-methyl-1,3-butadiene","CC(=C)C=C","C5H8","Marquardt (2015)","IQT","0","13","1.584","0","1.38","0.556","0","0","0","0","0.601","1.018","0.147","4.762","0","0","2.032"
-"UMLCN0249","L","Olefins","","7,10-dimethyl-8-hexadecene","CCCCCCC(C)C=CC(C)CCCCCC","C18H36","NREL (2014)","Unknown","0","43","12.988","3.219","6.684","0.455","0","-0.596","-1.531","0","0.291","1.661","1.541","6.315","-0.389","0","4.414"
-"UMLCN0250","L","Olefins","","2,5-dimethyl-2,4-hexadiene","CC(=CC=C(C)C)C","C8H14","Marquardt (2015)","IQT","0","19.9","3.253","2.833","2.116","0.12","0","0","0","0","0.413","1.414","0.363","5.595","0","0","1.255"
-"UMLCN0251","L","Olefins","","1,9-decadiene","C=CCCCCCCC=C","C10H18","Marquardt (2015)","IQT","0","41","8.04","2.079","2.971","0.678","0","0","0","0","0.456","1.542","0.612","4.92","0","0","2.714"
-"UMLCN0252","L","Olefins","","1-nonene","CCCCCCCC=C","C9H18","NREL (2014)","Unknown","0","51","7.517","1.792","1.71","0.678","0","0","0","0","0.416","1.505","0.492","4.762","0","0","1.856"
-"UMLCN0253","L","Olefins","","7-hexyl-7-pentadecene","CCCCCCCC=C(CCCCCC)CCCCCC","C21H42","NREL (2014)","Unknown","0","47","17.571","3.401","3.796","0.601","0","0.277","-1.242","0","0.264","1.645","2.058","6.279","0.291","0","3.226"
-"UMLCN0254","L","Olefins","","3-octene","CCCCC=CCC","C8H16","Marquardt (2015)","IQT","0","36","6.521","1.946","2.92","0.267","0","0","0","0","0.425","1.448","0.187","4.575","0","0","1.781"
-"UMLCN0255","L","Alkanes","","2-methyloctadecane","CCCCCCCCCCCCCCCCC(C)C","C19H40","Marquardt (2015)","IQT","0","104","16.056","2.708","1.546","0.336","0","-0.313","-1.547","0","0.205","1.683","1.702","5.999","0","0","1.931"
-"UMLCN0256","L","Alkanes","","2,2-dimethyloctane","CCCCCCC(C)(C)C","C10H22","NREL (2014)","Unknown","0","59","4.76","1.792","2.886","0.318","0","0","0","0","0.267","1.547","0.651","6.878","0","0","2.432"
-"UMLCN0257","L","Alkanes","","2,6,10-trimethyldodecane (aka farnesane)","CCC(C)CCCC(C)CCCC(C)C","C15H32","NREL (2014)","IQT","0","58.6","9.242","2.485","4.201","0.428","0","-1.2","0","0","0.251","1.657","1.644","6.351","-0.802","0","3.524"
-"UMLCN0258","L","Alkanes","","7,8-dimethyltetradecane","CCCCCCC(C)C(C)CCCCCC","C16H34","NREL (2014)","Unknown","0","40","11.484","2.639","2.462","0.455","0","-0.765","-1.95","0","0.235","1.63","1.735","6.392","-0.594","0","2.985"
-"UMLCN0259","L","Alkanes","","3-ethylpentane","CCC(CC)CC","C7H16","Marquardt (2015)","IQT","0","34.1","4.167","0","2.49","0.262","0","0","0","0","0.298","1.195","0.465","5.46","0","0","1.569"
-"UMLCN0260","L","Alkanes","","n-hexane","CCCCCC","C6H14","NREL (2014)","IQT","0","47.9","5","0.693","0.449","0.232","0","0","0","0","0.272","1.313","0.071","4.043","0","0","0.927"
-"UMLCN0261","L","Alkanes","","n-heptane","CCCCCCC","C7H16","Marquardt (2015)","IQT","0","52.8","6","1.099","0.449","0.246","0","0","0","0","0.258","1.397","0.101","4.344","0","0","0.983"
-"UMLCN0262","L","Alkanes","","4,5-diethyloctane","CCCC(CC)C(CC)CCC","C12H26","NREL (2014)","Unknown","0","20","7.639","2.398","4.401","0.346","0","-1.732","0","0","0.261","1.488","0.808","6.418","0","0","2.611"
-"UMLCN0263","L","Alkanes","","5-butylnonane","CCCCC(CCCC)CCCC","C13H28","NREL (2014)","Unknown","0","53","10.083","2.565","2.175","0.302","0","-1.496","0","0","0.237","1.506","0.611","5.922","0","0","1.814"
-"UMLCN0264","L","Alkanes","","2-methylheptadecane","CCCCCCCCCCCCCCCC(C)C","C18H38","Marquardt (2015)","IQT","0","91","15.059","2.639","1.546","0.334","0","-0.523","-1.716","0","0.209","1.677","1.629","5.948","-0.214","0","1.921"
-"UMLCN0265","L","Alkanes","","2,2,4,6,6-pentamethylheptane","CC(CC(C)(C)C)CC(C)(C)C","C12H26","NREL (2014)","Unknown","0","9","3.806","1.946","7.414","0.372","0","-1.588","0","0","0.271","1.617","0.8","7.599","0","0","4.65"
-"UMLCN0266","L","Alkanes","","10,13-dimethyldocosane","CCCCCCCCCC(C)CCC(C)CCCCCCCCC","C24H50","Creton (2011)","Unknown","0","56","19.326","3.135","3.037","0.484","0","0.406","-0.829","0","0.201","1.697","2.2","6.512","0.726","0","3.142"
-"UMLCN0267","L","Alkanes","","2,2,3-trimethylbutane","CC(C)C(C)(C)C","C7H16","NREL (2014)","IQT","0","12.9","1.852","0","3.867","0.262","0","0","0","0","0.277","1.21","0.9","7.116","0","0","2.569"
-"UMLCN0268","L","Alkanes","","2,2-dimethylbutane","CCC(C)(C)C","C6H14","Marquardt (2015)","IQT","0","24.4","1.633","0","3.056","0.243","0","0","0","0","0.296","1.11","0.394","6.779","0","0","1.875"
-"UMLCN0269","L","Alkanes","","9,10-dimethyloctadecane","CCCCCCCCC(C)C(C)CCCCCCCC","C20H42","NREL (2014)","Unknown","0","60","15.39","2.89","2.462","0.48","0","0","-1.414","0","0.216","1.669","2.015","6.518","-0.163","0","3.11"
-"UMLCN0270","L","Alkanes","","n-octane","CCCCCCCC","C8H18","NREL (2014)","CFR","0","64","7","1.386","0.449","0.256","0","0","0","0","0.246","1.459","0.32","4.575","0","0","1.024"
-"UMLCN0271","L","Alkanes","","2,6-dimethyloctane","CCC(C)CCCC(C)C","C10H22","Marquardt (2015)","IQT","0","51.7","5.76","1.792","2.907","0.348","0","0","0","0","0.277","1.554","0.902","5.844","0","0","2.46"
-"UMLCN0272","L","Alkanes","","2,2,4,4,6,8,8-heptamethylnonane ","CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H34","NREL (2014)","CFR","0","15","5.104","2.485","11.882","0.428","0","-1","-1.934","0","0.254","1.694","1.261","8.032","-0.557","0","6.724"
-"UMLCN0274","L","Alkanes","","3-ethyldecane","CCCCCCCC(CC)CC","C12H26","NREL (2014)","Unknown","0","48","9.091","2.079","2.398","0.32","0","-1.618","0","0","0.245","1.592","0.919","5.832","0","0","1.836"
-"UMLCN0275","L","Alkanes","","n-heptadecane","CCCCCCCCCCCCCCCCC","C17H36","NREL (2014)","Unknown","0","105","16","2.565","0.449","0.292","0","-0.547","-1.865","0","0.188","1.66","1.54","5.624","-0.478","0","1.169"
-"UMLCN0276","L","Alkanes","","n-eicosane","CCCCCCCCCCCCCCCCCCCC","C20H42","NREL (2014)","Unknown","0","110","19","2.773","0.449","0.297","0","0","-1.414","0","0.178","1.681","1.76","5.82","0.092","0","1.187"
-"UMLCN0277","L","Alkanes","","2-methylpentane","CCCC(C)C","C6H14","NREL (2014)","IQT","0","34.5","3.2","0","1.549","0.253","0","0","0","0","0.311","1.264","0.25","4.963","0","0","1.458"
-"UMLCN0278","L","Alkanes","","n-tetradecane","CCCCCCCCCCCCCC","C14H30","NREL (2014)","IQT","0","85.1","13","2.303","0.449","0.285","0","-1.247","0","0","0.201","1.627","1.257","5.38","-0.95","0","1.142"
-"UMLCN0279","L","Alkanes","","n-decane","CCCCCCCCCC","C10H22","Marquardt (2015)","IQT","0","65.5","9","1.792","0.449","0.27","0","0","0","0","0.226","1.542","0.681","4.92","0","0","1.08"
-"UMLCN0280","L","Alkanes","","2,5-dimethylundecane","CCCCCCC(C)CCC(C)C","C13H28","NREL (2014)","Unknown","0","58","8.592","2.398","2.84","0.411","0","-1.419","0","0","0.254","1.606","1.344","6.019","0","0","2.675"
-"UMLCN0281","L","Alkanes","","3-methylheptane","CCCCC(C)CC","C8H18O","Marquardt (2015)","IQT","0","45","5.143","1.386","1.801","0.329","0","0","0","0","0.285","1.424","0.586","5.389","0","0","1.691"
-"UMLCN0282","L","Alkanes","","n-nonane","CCCCCCCCC","C9H20","Marquardt (2015)","IQT","0","60.9","8","1.609","0.449","0.264","0","0","0","0","0.235","1.506","0.481","4.762","0","0","1.055"
-"UMLCN0283","L","Alkanes","","2-methylbutane","CCC(C)C","C5H12","NREL (2014)","IQT","0","24.9","2.25","0","1.604","0.222","0","0","0","0","0.319","1.081","0.184","4.762","0","0","1.287"
-"UMLCN0284","L","Alkanes","","n-nonadecane","CCCCCCCCCCCCCCCCCCC","C19H40","NREL (2014)","Unknown","0","110","18","2.708","0.449","0.295","0","-0.165","-1.578","0","0.181","1.675","1.692","5.759","-0.094","0","1.182"
-"UMLCN0285","L","Alkanes","","2-methylhexane","CCCCC(C)C","C7H16","NREL (2014)","IQT","0","43.5","4.167","1.099","1.546","0.273","0","0","0","0","0.298","1.38","0.285","5.094","0","0","1.571"
-"UMLCN0286","L","Alkanes","","n-pentane","CCCCC","C5H12 ","NREL (2014)","20% Blend, CFR","0","30","4","0","0.449","0.212","0","0","0","0","0.29","1.195","0","3.611","0","0","0.847"
-"UMLCN0287","L","Alkanes","","n-pentadecane","CCCCCCCCCCCCCCC","C15H32","NREL (2014)","Unknown","0","96","14","2.398","0.449","0.288","0","-1","0","0","0.196","1.64","1.355","5.468","-0.827","0","1.152"
-"UMLCN0288","L","Alkanes","","2-methylheptane","CCCCCC(C)C","C8H18","NREL (2014)","IQT","0","49.8","5.143","1.386","1.546","0.287","0","0","0","0","0.285","1.457","0.392","5.209","0","0","1.65"
-"UMLCN0289","L","Alkanes","","3-methylpentane","CCC(C)CC","C6H14","NREL (2014)","Unknown","0","30","3.2","0","1.859","0.278","0","0","0","0","0.311","1.195","0.474","5.153","0","0","1.477"
-"UMLCN0290","L","Alkanes","","4-propyldecane","CCCCCCC(CCC)CCC","C13H28","NREL (2014)","Unknown","0","39","10.083","2.398","2.365","0.314","0","-1.573","0","0","0.237","1.577","0.77","5.922","0","0","1.831"
-"UMLCN0291","L","Alkanes","","n-undecane","CCCCCCCCCCC","C11H24","NREL (2014)","20% Blend, CFR","0","81","10","1.946","0.449","0.275","0","-1.919","0","0","0.219","1.57","0.839","5.056","0","0","1.1"
-"UMLCN0292","L","Alkanes","","n-tridecane","CCCCCCCCCCCCC","C13H28","NREL (2014)","Unknown","0","90","12","2.197","0.449","0.282","0","-1.497","0","0","0.206","1.612","1.125","5.283","0","0","1.13"
-"UMLCN0293","L","Alkanes","","2,2,4-trimethylpentane","CC(C)CC(C)(C)C","C8H18","NREL (2014)","IQT","0","18","2.52","0","4.355","0.285","0","0","0","0","0.294","1.4","0.505","6.936","0","0","2.785"
-"UMLCN0294","L","Alkanes","","8-propylpentadecane","CCCCCCCC(CCC)CCCCCCC","C18H38","NREL (2014)","Unknown","0","48","15.059","2.833","2.364","0.348","0","-0.311","-1.705","0","0.209","1.64","1.615","6.159","-0.284","0","1.925"
-"UMLCN0295","L","Alkanes","","2,3-dimethylpentane","CCC(C)C(C)C","C7H16","NREL (2014)","IQT","0","22","3.061","0","2.368","0.296","0","0","0","0","0.293","1.272","0.86","5.894","0","0","2.162"
-"UMLCN0296","L","Alkanes","","n-dodecane","CCCCCCCCCCCC","C12H26","NREL (2014)","IQT","0","72.9","11","2.079","0.449","0.279","0","-1.732","0","0","0.212","1.593","1.002","5.176","0","0","1.116"
-"UMLCN0297","L","Alkanes","","2,4-dimethylpentane","CC(C)CC(C)C","C7H16","NREL (2014)","IQT","0","28.6","3.061","0","2.578","0.264","0","0","0","0","0.293","1.351","0.452","5.541","0","0","2.111"
-"UMLCN0298","L","Alkanes","","2,2,5-trimethylhexane","CC(C)CCC(C)(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","24","3.24","1.946","3.983","0.301","0","0","0","0","0.293","1.501","0.626","6.944","0","0","2.94"
-"UMLCN0299","L","Alkanes","","9,10-dipropyloctadecane","CCCCCCCCC(CCC)C(CCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","47","19.326","3.367","4.304","0.391","0","0.518","-0.765","0","0.201","1.67","2.297","6.763","0.489","0","2.878"
-"UMLCN0300","L","Alkanes","","n-octadecane","CCCCCCCCCCCCCCCCCC","C18H38","NREL (2014)","Unknown","0","106","17","2.639","0.449","0.294","0","-0.347","-1.732","0","0.185","1.668","1.625","5.694","-0.286","0","1.176"
-"UMLCN0301","L","Alkanes","","n-hexadecane","CCCCCCCCCCCCCCCC","C16H34","NREL (2014)","CFR","0","100","15","2.485","0.449","0.29","0","-0.765","-1.962","0","0.192","1.651","1.457","5.549","-0.663","0","1.161"
-"UMLCN0302","L","Alkanes","","5,6-dibutyldecane","CCCCC(CCCC)C(CCCC)CCCC","C18H38","NREL (2014)","Unknown","0","30","13.432","3.219","4.241","0.337","0","-0.347","-1.879","0","0.225","1.581","1.109","6.613","-0.244","0","2.698"
-"UMLCN0303","L","Alkanes","","7-hexylpentadecane","CCCCCCCCC(CCCCCC)CCCCCC","C21H44","NREL (2014)","Unknown","0","83","18.05","3.045","2.175","0.318","0","0.201","-1.292","0","0.197","1.65","2","6.279","0.291","0","1.985"
-"UMLCN0304","L","Alkanes","","2,9-dimethyl-5,6-diisopentyldecane","CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C","C22H46","NREL (2014)","Unknown","0","48","12.426","3.497","8.765","0.386","0","-0.183","-1","0","0.234","1.647","1.415","7.064","0","0","6.171"
-"UMLCN0305","L","Alkanes","","9-heptylheptadecane","CCCCCCCCC(CCCCCCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","88","21.043","3.178","2.364","0.319","0","0.489","-0.765","0","0.188","1.66","2.391","6.385","0.678","0","2.031"
-"UMLCN0306","L","Naphthenes","","methylcyclopentane","CC1CCCC1","C6H12","NREL (2014)","IQT","0","17.2","1.134","1.099","1.066","0.34","0","0","0","0","0.32","1.452","0.057","5.565","0","0","0.681"
-"UMLCN0307","L","Naphthenes","","1,3,5-triisopropyl cyclohexane","CC(C)C1CC(CC(C1)C(C)C)C(C)C","C15H30 ","NREL (2014)","IQT","0","25.3","4.674","3.611","8.65","0.407","0","-1","-2","0","0.26","1.54","1.257","7.222","-0.834","0","4.89"
-"UMLCN0308","L","Naphthenes","","2-methyl-3-cyclohexylnonane","CC(C(CCCCCC)C1CCCCC1)C","C16H32","NREL (2014)","Unknown","0","63","7.158","3.296","5.551","0.444","0","-1","-1.929","0","0.244","1.637","1.331","6.864","-0.549","0","2.501"
-"UMLCN0309","L","Naphthenes","","1,2,4-trimethyl-5-hexadecyl cyclohexane","C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C","C25H50","NREL (2014)","Unknown","0","42","13.913","3.638","5.496","0.519","0","0.555","-0.641","0","0.213","1.717","2.221","7.143","0.739","0","3.582"
-"UMLCN0310","L","Cycloalkenes","","4-methyl-1-cyclohexene","CC1CCC=CC1","C7H12","Kubic (2016)","Unknown","0","28","1.504","2.773","2.704","0.309","0","0","0","0","0.505","1.174","0.029","5.638","0","0","1.745"
-"UMLCN0311","L","Alkynes","","1-heptyne","CCCCCC#C","C7H12","NREL (2014)","IQT","0","22","5.208","1.609","1.709","1.019","0","0","0","0","0.462","1.357","0.296","4.344","0","0","2.598"
-"UMLCN0312","L","Cycloalkenes","Olefins","4-vinyl-1-cyclohexene","C=CC1CCC=CC1","C8H12","Santana (2006)","Unknown","0","32","1.899","3.091","4.912","0.75","0","0","0","0","0.543","1.316","0.091","5.838","0","0","2.611"
-"UMLCN0313","L","Olefins","","2,4,4-trimethyl-1-pentene","CC(=C)CC(C)(C)C","C8H16","NREL (2014)","IQT","0","8.8","2.265","0","4.099","0.84","0","0","0","0","0.454","1.396","0.295","6.936","0","0","3.174"
-"UMLCN0314","L","Olefins","","2-octene","CCCCCC=CC","C8H16","NREL (2014)","20% Blend, CFR","0","43","6.521","1.792","1.504","0.232","0","0","0","0","0.436","1.457","0.388","4.575","0","0","1.319"
-"UMLCN0315","L","Olefins","","2,6-dimethylheptane","CC(C)CCCC(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","51","4.84","1.609","2.643","0.292","0","0","0","0","0.285","1.521","0.615","5.666","0","0","2.336"
-"UMLCN0316","L","Olefins","","1-undecene","CCCCCCCCCC=C","C11H22","NREL (2014)","Unknown","0","65.5","9.51","2.079","1.71","0.708","0","-1.9","0","0","0.369","1.571","0.793","5.056","0","0","1.979"
-"UMLCN0317","L","Olefins","","1-tetradecene","CCCCCCCCCCCCC=C","C14H28","NREL (2014)","Unknown","0","80.9","12.504","2.398","1.71","0.736","0","-1.157","0","0","0.32","1.628","1.194","5.38","-0.95","0","2.093"
-"UMLCN0318","L","Olefins","","2,6,7-trimethyl-2,6-tridecadiene","CCCCCCC(=C(C)CCC=C(C)C)C","C16H30","NREL (2014)","Unknown","0","24","9.374","3.258","6.564","0.341","0","-0.489","-1.815","0","0.343","1.644","1.482","6.526","-0.566","0","3.151"
-"UMLCN0319","L","Olefins","","4-butyl-4-dodecene","CCCC(CCCC)=CCCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","12.6","3.135","4.005","0.533","0","-0.596","-1.857","0","0.302","1.632","1.163","6.071","-0.726","0","2.897"
-"UMLCN0320","L","Olefins","","5-butyl-4-dodecene","CCCC=C(CCCC)CCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","12.6","3.178","3.796","0.509","0","-0.798","-1.854","0","0.302","1.619","1.041","6.071","-0.696","0","2.856"
-"UMLCN0321","L","Olefins","","3,12-diethyl-3,11-tetradecadiene","C(C(CC)=CCCCCCCC=C(CC)CC)C","C18H34","NREL (2014)","Unknown","0","26","12.552","3.178","7.106","0.464","0","-0.209","-1.37","0","0.332","1.722","1.748","6.438","-0.551","0","3.975"
-"UMLCN0322","L","Olefins","","1-octadecene","CCCCCCCCCCCCCCCCC=C","C18H36","NREL (2014)","Unknown","0","90","16.499","2.708","1.709","0.76","0","-0.337","-1.698","0","0.278","1.668","1.57","5.694","-0.286","0","2.182"
-"UMLCN0323","L","Olefins","","9-methyl-9-heptadecene","CCCCCCCCC(C)=CCCCCCCC","C18H36","NREL (2014)","Unknown","0","66","14.586","3.045","3.063","0.484","0","-0.4","-1.581","0","0.287","1.658","1.87","6.052","-0.205","0","2.738"
-"UMLCN0324","L","Olefins","","8-propyl-8-pentadecene","CCCCCCCC(CCC)=CCCCCCC","C18H36","NREL (2014)","Unknown","0","45","14.586","3.219","4.004","0.555","0","-0.158","-1.523","0","0.285","1.637","1.581","6.159","-0.284","0","3.027"
-"UMLCN0325","L","Olefins","","10,13-dimethyl-11-doeicosene","CCCCCCCCCC(C)C=CC(C)CCCCCCCCC","C24H48","NREL (2014)","Unknown","0","56","18.864","3.434","6.684","0.489","0","0.438","-0.829","0","0.252","1.695","1.994","6.512","0.726","0","4.721"
-"UMLCN0327","L","Aromatics","","toluene","CC1=CC=CC=C1","C7H8","NREL (2014)","IQT","0","6","1.117","4.038","0.659","0.083","0","0","0","0","0.49","1.086","0","5.638","0","0","0.69"
-"UMLCN0328","L","Aromatics","","ethyl benzene","CCC1=CC=CC=C1","C8H10","NREL (2014)","IQT","0","6.3","1.681","4.15","0.967","0.162","0","0","0","0","0.509","1.292","0.038","5.838","0","0","1.234"
-"UMLCN0329","L","Aromatics","","1,4-dimethylbenzene","CC1=CC=C(C=C1)C","C8H10","NREL (2014)","IQT","0","6.2","1.336","4.298","0.603","0.12","0","0","0","0","0.5","1.215","0.105","6.061","0","0","1.35"
-"UMLCN0330","V","Aromatics","","1,3,5-trimethylbenzene","CC1=CC(=CC(=C1)C)C","C9H12","NREL (2014)","80% Blend, IQT","0","8","1.564","4.343","0.546","0.188","0","0","0","0","0.464","1.18","0","6.389","0","0","1.875"
-"UMLCN0331","V","Aromatics","","n-propylbenzene","CCCC1=CC=CC=C1","C9H12","NREL (2014)","80% Blend, IQT","0","16","2.316","4.219","1.018","0.201","0","0","0","0","0.513","1.423","0.107","5.911","0","0","1.546"
-"UMLCN0332","V","Aromatics","","1,2,4,5-tetramethylbenzene","CC1=C(C(=C(C=C1)C)C)C","C10H14","NREL (2014)","20% Blend, CFR","0","1","1.797","4.541","0.573","0.178","0","-2","0","0","0.412","1.254","1.522","6.897","0","0","2.044"
-"UMLCN0333","V","Aromatics","","naphthalene","C1=CC=C2C=CC=CC2=C1","C10H8O","NREL (2014)","5%–7% Blend, CFR","0","22","1.176","5.29","1.473","0.12","0","-2","0","0","0.302","1.406","0.086","6.603","0","0","1.426"
-"UMLCN0334","V","Aromatics","","2-methylnaphthalene","CC1=CC2=CC=CC=C2C=C1","C11H10","NREL (2014)","20% Blend, CFR","0","6","1.392","5.411","1.428","0.204","0","-1.665","0","0","0.46","1.475","0.163","6.792","0","0","2.066"
-"UMLCN0335","V","Aromatics","","n-pentylbenzene","CCCCCC1=CC=CC=C1","C11H16","NREL (2014)","Blend","0","18","3.743","4.276","1.02","0.241","0","-1.762","0","0","0.471","1.565","0.42","6.014","0","0","1.893"
-"UMLCN0336","V","Aromatics","","biphenyl","C1=CC=C(C=C1)C2=CC=CC=C2","C12H10","NREL (2014)","5%–7% Blend, CFR","0","12","1.911","5.154","1.381","0.12","0","-1","0","0","0.278","1.685","0.165","6.655","-1","0","1.563"
-"UMLCN0337","V","Aromatics","","m-diisopropylbenzene","CC(C)C1=CC(=CC=C1)C(C)C","C12H18","NREL (2014)","CFR","0","-3","2.91","4.633","6.813","0.315","0","-1.32","0","0","0.435","1.511","0.637","6.858","0","0","3.649"
-"UMLCN0338","V","Aromatics","","n-octylbenzene","CCCCCCCCC1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","37.5","6.139","4.317","1.018","0.268","0","-1","0","0","0.409","1.653","0.73","6.151","-0.939","0","2.15"
-"UMLCN0339","V","Aromatics","","1,3,5-triisopropylbenzene","CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C","C15H24","NREL (2014)","Blend, IQT","0","2.8","3.957","4.973","9.863","0.362","0","-1","-2","0","0.377","1.511","0.751","7.222","-0.834","0","5.383"
-"UMLCN0340","V","Aromatics","","4-methyl-4-(2-naphthyl)heptane","C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC","C18H24","NREL (2014)","Unknown","0","9","4.06","5.603","8.476","0.421","0","-0.445","-1.549","0","0.438","1.726","1.14","7.815","-0.08","0","5.262"
-"UMLCN0341","V","Aromatics","","2-methyl-4-isobutyl-4-phenylundecane","CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C","C22H38 ","NREL (2014)","Unknown","0","18","9.6","4.808","11.627","0.388","0","0.146","-1","0","0.346","1.683","1.416","7.785","0.357","0","6.433"
-"UMLCN0342","V","Aromatics","","5-butyl-5-phenyltetradecane","C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC","C24H42","NREL (2014)","Unknown","0","58","11.965","4.783","9.998","0.395","0","0.469","-0.843","0","0.31","1.687","1.801","7.709","0.729","0","4.838"
-"UMLCN0343","V","Aromatics","","1,2,4-trimethyl-5-hexadecyl benzene","C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C","C25H44","NREL (2014)","Unknown","0","42","12.82","4.837","1.57","0.393","0","0.733","-0.473","0","0.294","1.718","1.971","7.143","0.739","0","3.511"
-"UMLCN0344","V","Aromatics","","5-phenyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1","C26H46","NREL (2014)","Unknown","0","39","15.768","4.627","5.085","0.336","0","0.926","-0.507","0","0.29","1.716","1.832","6.889","1.058","0","3.681"
-"UMLCN0345","V","Alcohols","","tert-butanol","CC(C)(C)O","C4H10O","NREL (2014)","Blend, IQT","0","5.6","0.97","0","1.541","2.521","1","0","0","1","0.443","0.761","0","6.597","0","0","5.042"
-"UMLCN0346","V","Ethers","","dimethoxymethane","COCOC","C3H8O2","NREL (2014)","Blend","0","49","3.861","0","0.982","0.969","0","0","0","2","0.431","0.986","0","3.611","0","0","3.875"
-"UMLCN0347","V","Ethers","","diethyl ether","CCOCC","C4H10O","NREL (2014)","Other Ignition Delay Method","0","160","3.93","0","0.048","1.333","0","0","0","1","0.374","1.195","0","3.611","0","0","2.667"
-"UMLCN0348","V","Ethers","Alcohols","2-butoxyethanol","CCCCOCCO","C6H14O2","NREL (2014)","Blend appx. 20% (Method?)","0","41","6.855","1.386","0.353","2.241","1","0","0","2","0.448","1.325","0.114","4.575","0","0","7.654"
-"UMLCN0349","V","Esters","","2-ethylhexyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","116","22.623","3.434","2.238","4.849","0","0.998","-0.031","2","0.245","1.704","1.769","6.678","1.215","0","15.039"
-"UMLCN0350","V","Alkanes","","7,8-diethyltetradecane","CCCCCCC(CC)C(CC)CCCCCC","C18H38","BioCompoundML (2016)","Unknown","0","67","13.432","2.944","4.4","0.402","0","-0.347","-1.732","0","0.225","1.631","1.727","6.597","-0.522","0","2.83"
-"UMLCN0351","V","Esters","","butyl laurate","CCCCCCCCCCCC(=O)OCCCC","C16H32O2","NREL (2014)","Blend","0","73","14.4","2.833","0.485","4.303","0","-0.049","-1.581","2","0.291","1.601","1.399","6.052","-0.287","0","12.547"
-"UMLCN0352","V","Esters","","butyl octanoate","CCCCCCCC(=O)OCCCC","C12H24O2","BioCompoundML (2016)","Unknown","0","39.6","10.437","2.565","0.485","4.128","0","-0.84","0","2","0.34","1.558","1.018","5.844","-1.009","0","11.935"
-"UMLCN0353","V","Esters","Olefins","butyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCC","C22H42O2","NREL (2014)","Blend","0","102","19.891","3.332","3.008","4.42","0","0.717","-0.566","2","0.318","1.666","2.096","6.301","0.597","0","14.355"
-"UMLCN0354","V","Naphthenes","","cyclopentane","C1CCCC1","C5H10","BioCompoundML (2016)","Unknown","0","6.1","0.922","0","0.447","0","0","0","0","0","0.235","1.452","0","4.615","0","0","0"
-"UMLCN0355","V","Acids","","decanoic acid","CCCCCCCCCC(=O)O","C10H20O2","BioCompoundML (2016)","Unknown","0","48","8.466","2.197","0.257","3.134","1","-1.607","0","2","0.373","1.535","0.792","5.572","0","0","11.375"
-"UMLCN0356","V","Esters","","decyl acetate","CCCCCCCCCCOC(=O)C","C12H24O2","BioCompoundML (2016)","Unknown","0","62","10.437","2.398","0.263","3.429","0","-0.851","0","2","0.328","1.549","1.13","5.714","-0.993","0","10.024"
-"UMLCN0357","V","Esters","","decyl caprate","CCCCCCCCCCOC(=O)CCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","81","18.376","3.045","0.485","4.563","0","0.544","-0.839","2","0.259","1.685","1.798","6.225","0.294","0","13.692"
-"UMLCN0358","V","Esters","","decyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","84","20.367","3.135","0.485","4.635","0","0.623","-0.55","2","0.247","1.691","1.913","6.301","0.748","0","13.932"
-"UMLCN0359","V","Esters","","decyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","72","22.36","3.219","0.485","4.688","0","0.876","-0.305","2","0.237","1.692","2.006","6.372","0.864","0","14.106"
-"UMLCN0362","V","Esters","","decyl valerate","CCCCCCCCCCOC(=O)CCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","61","13.407","2.773","0.485","4.187","0","-0.287","-1.673","2","0.301","1.599","1.308","6.004","-0.52","0","12.338"
-"UMLCN0365","V","Esters","","dibutyl malonate","CCCCOC(=O)CC(=O)OCCCC","C11H20O4","NREL (2014)","CFR","0","21","9.338","2.833","0.525","4.038","0","-0.455","0","4","0.415","1.55","0.93","6.213","-0.917","0","21.457"
-"UMLCN0366","V","Aromatics","Esters","dibutyl phthalate","CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","C16H22O4","BioCompoundML (2016)","Unknown","0","38","7.782","4.989","2.393","4.945","0","0.262","-0.874","4","0.495","1.553","0.661","7.177","0.126","0","26.415"
-"UMLCN0368","V","Esters","","diethyl adipate","CCOC(=O)CCCCC(=O)OCC","C10H18O4","BioCompoundML (2016)","Unknown","0","15","8.393","2.485","0.137","3.875","0","-0.753","0","4","0.439","1.404","0.847","6.159","-0.993","0","20.465"
-"UMLCN0369","V","Esters","","diethyl azelate","CCOC(=O)CCCCCCCC(=O)OCC","C13H24O4","BioCompoundML (2016)","Unknown","0","47","11.247","2.708","0.137","4.01","0","0.059","-1.52","4","0.389","1.514","1.161","6.279","-0.575","0","21.35"
-"UMLCN0370","V","Esters","","diethyl butanedioate","CCOC(=O)CCC(=O)OCC","C8H14O4","NREL (2014)","CFR","0","21","6.53","2.639","0.137","3.722","0","-0.989","0","4","0.46","1.356","0.645","6.071","0","0","19.382"
-"UMLCN0371","V","Esters","","diethyl oxalate","CCOC(=O)C(=O)OCC","C6H10O4","BioCompoundML (2016)","Unknown","0","21","4.719","2.079","0.292","3.436","0","0","0","4","0.492","1.323","0.174","6.168","0","0","17.116"
-"UMLCN0375","V","Esters","","dimethyl adipate","COC(=O)CCCCC(=O)OC","C8H14O4","BioCompoundML (2016)","Unknown","0","5","6.53","2.303","0.02","3.588","0","-1.039","0","4","0.46","1.324","0.881","6.043","0","0","18.064"
-"UMLCN0376","V","Esters","","dimethyl azelate","COC(=O)CCCCCCCC(=O)OC","C11H20O4","BioCompoundML (2016)","Unknown","0","24","9.338","2.565","0.02","3.745","0","-0.369","0","4","0.395","1.501","1.148","6.176","-0.836","0","19.077"
-"UMLCN0377","V","Esters","","dimethyl malonate","COC(=O)CC(=O)OC","C5H8O4","BioCompoundML (2016)","Unknown","0","15","3.843","1.946","0.024","3.258","0","0","0","4","0.529","1.09","0.393","5.905","0","0","15.764"
-"UMLCN0381","V","Ethers","","dipentyl ether","CCCCCOCCCCC","C10H22O","NREL (2014)","IQT","0","111","9.926","1.946","0.461","1.938","0","-1.745","0","1","0.296","1.57","0.761","5.056","0","0","4.753"
-"UMLCN0383","V","Esters","","dodecyl laurate","CCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","85","22.36","3.219","0.485","4.688","0","0.925","-0.297","2","0.237","1.701","2.006","6.372","0.858","0","14.124"
-"UMLCN0384","V","Esters","","dodecyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","74","24.353","3.296","0.485","4.742","0","0.942","-0.031","2","0.228","1.705","2.092","6.438","1.223","0","14.298"
-"UMLCN0385","V","Esters","","dodecyl valerate","CCCCCCCCCCCCOC(=O)CCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","67","15.393","2.89","0.485","4.24","0","0.068","-1.475","2","0.282","1.613","1.465","6.098","-0.017","0","12.538"
-"UMLCN0387","V","Esters","Ketones","ethyl levulinate","CCOC(=O)CCC(=O)C","C7H12O3","NREL (2014)","IQT","0","6","4.772","2.485","0.113","3.573","0","0","0","3","0.513","1.343","0.411","5.861","0","0","16.038"
-"UMLCN0388","V","Esters","Olefins","ethyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCC","C20H36O2","BioCompoundML (2016)","Unknown","0","44.4","17.437","3.434","4.965","4.14","0","0.548","-0.78","2","0.388","1.667","1.659","6.225","0.392","0","13.909"
-"UMLCN0389","V","Esters","Olefins","ethyl linolenate","CCC=CCC=CCC=CCCCCCCCC(=O)OCC","C20H34O2","BioCompoundML (2016)","Unknown","0","27","16.977","3.584","7.059","4.136","0","0.622","-0.721","2","0.423","1.671","1.587","6.225","0.392","0","14.183"
-"UMLCN0391","V","Esters","","hexadecyl acetate","CCCCCCCCCCCCCCCCOC(=O)C","C18H36O2","BioCompoundML (2016)","Unknown","0","86","16.387","2.833","0.263","3.555","0","0.26","-1.194","2","0.264","1.652","1.689","6.047","0.095","0","10.479"
-"UMLCN0393","V","Esters","","hexyl decanoate ","CCCCCCCCCC(=O)OCCCCCC","C16H32O2","BioCompoundML (2016)","Unknown","0","64","14.4","2.833","0.485","4.389","0","-0.049","-1.61","2","0.291","1.634","1.49","6.052","-0.291","0","13.006"
-"UMLCN0394","V","Esters","","hexyl laurate","CCCCCCCCCCCC(=O)OCCCCCC","C18H36O2","BioCompoundML (2016)","Unknown","0","74","16.387","2.944","0.485","4.461","0","0.186","-1.214","2","0.274","1.637","1.634","6.142","0","0","13.251"
-"UMLCN0395","V","Esters","","hexyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","72","18.376","3.045","0.485","4.514","0","0.488","-0.874","2","0.259","1.643","1.75","6.225","0.406","0","13.429"
-"UMLCN0396","V","Esters","Olefins","hexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC","C24H46O2","BioCompoundML (2016)","Unknown","0","102","21.88","3.401","3.008","4.578","0","0.881","-0.206","2","0.302","1.668","2.373","6.372","0.885","0","15.073"
-"UMLCN0397","V","Esters","","hexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","87","20.367","3.135","0.485","4.555","0","0.764","-0.539","2","0.247","1.656","1.852","6.301","0.673","0","13.564"
-"UMLCN0398","V","Esters","","isobutyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(C)C","C22H44O2","BioCompoundML (2016)","Unknown","0","99","18.68","3.219","1.393","4.459","0","0.698","-0.696","2","0.267","1.669","1.536","6.447","0.533","0","13.126"
-"UMLCN0399","V","Esters","","isopropyl decanoate","CCCCCCCCCC(=O)OC(C)C","C13H26O2","BioCompoundML (2016)","Unknown","0","46.6","9.918","2.485","1.059","4.166","0","-0.928","0","2","0.333","1.557","1.037","6.125","-0.861","0","11.894"
-"UMLCN0401","V","Esters","Olefins","methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate","CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC","C23H34O2","NREL (2014)","IQT","0","24.4","18.576","4.382","2.337","3.809","0","0.841","-0.412","2","0.417","1.698","1.864","6.326","0.877","0","10.963"
-"UMLCN0402","V","Esters","","methyl arachidate","CCCCCCCCCCCCCCCCCCCC(=O)OC","C21H42O2","BioCompoundML (2016)","Unknown","0","100","19.371","2.996","0.234","3.95","0","0.633","-0.665","2","0.244","1.68","1.886","6.252","0.574","0","10.746"
-"UMLCN0403","V","Esters","","methyl butanoate","CCCC(=O)OC","C5H10O2","BioCompoundML (2016)","Unknown","0","6.4","3.616","0.693","0.234","3.19","0","0","0","2","0.522","1.119","0.26","5.293","0","0","8.082"
-"UMLCN0404","V","Esters","Olefins","methyl erucate","CCCCCCCCC=CCCCCCCCCCCCC(=O)OC","C23H44O2","BioCompoundML (2016)","Unknown","0","74.2","20.885","3.296","2.758","3.967","0","0.888","-0.358","2","0.302","1.69","2.301","6.326","0.877","0","12.36"
-"UMLCN0406","V","Esters","Olefins","methyl gondoate","CCCCCCCCC=CCCCCCCCCCC(=O)OC","C21H40O2","BioCompoundML (2016)","Unknown","0","73.2","18.897","3.219","2.758","3.944","0","0.652","-0.65","2","0.318","1.679","2.108","6.252","0.574","0","12.216"
-"UMLCN0407","V","Esters","Olefins","methyl petroselinate","CCCCCCCCCCCC=CCCCCC(=O)OC","C19H36O2","BioCompoundML (2016)","Unknown","0","58.6","16.911","3.135","2.758","3.905","0","0.456","-0.93","2","0.337","1.669","1.983","6.172","0.213","0","11.718"
-"UMLCN0410","V","Esters","Olefins","methyl-9-decenoate","COC(=O)CCCCCCCC=C","C11H20O2","BioCompoundML (2016)","Unknown","0","38.3","9.011","2.398","1.495","3.712","0","-1.059","0","2","0.468","1.539","0.98","5.765","0","0","10.845"
-"UMLCN0411","V","Esters","","octadecyl acetate","CCCCCCCCCCCCCCCCCCOC(=O)C","C20H40O2","BioCompoundML (2016)","Unknown","0","90","18.376","2.944","0.278","3.582","0","0.449","-0.819","2","0.25","1.669","1.824","6.138","0.272","0","10.569"
-"UMLCN0412","V","Esters","","octyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","84","18.376","3.045","0.485","4.563","0","0.538","-0.933","2","0.259","1.671","1.793","6.225","0.317","0","13.661"
-"UMLCN0413","V","Esters","","octyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","71","20.367","3.135","0.485","4.616","0","0.695","-0.527","2","0.247","1.672","1.897","6.301","0.723","0","13.837"
-"UMLCN0414","V","Esters","Olefins","octyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC","C26H50O2","NREL (2014)","Blend","0","131","23.871","3.466","3.008","4.681","0","1.131","-0.029","2","0.289","1.676","2.561","6.438","1.211","0","15.495"
-"UMLCN0415","V","Esters","","octyl valerate","CCCCCCCCOC(=O)CCCC","C13H26O2","BioCompoundML (2016)","Unknown","0","49","11.426","2.639","0.485","4.115","0","-0.672","0","2","0.325","1.592","1.122","5.9","-0.823","0","12.057"
-"UMLCN0416","V","Esters","","pentyl pentanoate","CCCCCOC(=O)CCCC","C10H20O2","BioCompoundML (2016)","Unknown","0","28.2","8.466","2.398","0.485","3.943","0","-1.598","0","2","0.375","1.568","0.72","5.72","0","0","11.323"
-"UMLCN0417","V","Naphthenes","","Perhydro-phenanthrene","C1CCC2C(C1)CCC3C2CCCC3","C14H24","BioCompoundML (2016)","Unknown","0","38.8","2.553","4.025","6.536","0.089","0","-0.909","-2","0","0.238","1.637","0.98","7.279","-0.784","0","1.367"
-"UMLCN0418","V","Esters","","propyl laurate","CCCCCCCCCCCC(=O)OCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","71","13.407","2.773","0.485","4.187","0","-0.265","-1.728","2","0.301","1.596","1.254","6.004","-0.484","0","11.957"
-"UMLCN0419","V","Esters","","propyl myristate","CCCCCCCCCCCCCC(=O)OCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","71","15.393","2.89","0.485","4.24","0","0.074","-1.364","2","0.282","1.628","1.42","6.098","-0.028","0","12.139"
-"UMLCN0420","V","Esters","","tetradecyl acetate","CCCCCCCCCCCCCCOC(=O)C","C16H32O2","BioCompoundML (2016)","Unknown","0","81","14.4","2.708","0.259","3.523","0","-0.052","-1.605","2","0.281","1.63","1.518","5.948","-0.232","0","10.366"
-"UMLCN0421","V","Ethers","","triethyleneglycol dimethyl ether","COCCOCCOCCOC","C8H18O4","BioCompoundML (2016)","Unknown","0","120","10.703","2.079","0.216","1.663","0","-1.236","0","4","0.32","1.368","0.193","5.176","0","0","11.858"
-"UMLCN0422","V","Cyclic Ethers","Aromatics","furan","C1=COC=C1","C4H4O","NREL (2014)","IQT","0","7","0.555","0","0.005","1.083","0","0","0","1","0.521","1.179","0","4.615","0","0","2.167"
-"UMLCN0423","V","Alkanes","","2,3,4-trimethylpentane","CC(C)C(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","14","3.111","0","3.561","0.315","0","0","0","0","0.255","1.351","1.246","6.326","0","0","2.889"
-"UMLCN0424","V","Naphthenes","","1,1,2,4-tetramethylcyclopentane","CC1CC(C(C1)(C)C)C","C9H18","Kubic (2016)","Unknown","0","34.2","1.58","2.485","5.974","0.39","0","0","0","0","0.322","1.577","0.639","7.458","0","0","3.05"
-"UMLCN0425","V","Naphthenes","","1,1,2-Trimethylcyclohexane","CC1CCCCC1(C)C","C9H18","Kubic (2016)","Unknown","0","29","1.833","2.565","5.753","0.4","0","0","0","0","0.316","1.279","0.808","7.347","0","0","2.375"
-"UMLCN0426","V","Alkanes","","2,3,3-Trimethylpentane","CCC(C)(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","17","2.52","0","4.144","0.317","0","0","0","0","0.294","1.279","1.561","7.236","0","0","2.894"
-"UMLCN0427","V","Alkanes","","2,2,3-Trimethylpentane","CCC(C)C(C)(C)C","C8H18","Kubic (2016)","Unknown","0","14","2.52","0","3.95","0.306","0","0","0","0","0.294","1.319","1.256","7.169","0","0","2.86"
-"UMLCN0428","V","Alkanes","","3,4-Dimethylhexane","CCC(C)C(C)CC","C8H18","Kubic (2016)","Unknown","0","20","3.938","0.693","2.578","0.328","0","0","0","0","0.291","1.347","1.155","6.052","0","0","2.353"
-"UMLCN0429","V","Alkanes","","2,4-Dimethylhexane","CCC(C)CC(C)C","C8H18","Kubic (2016)","Unknown","0","29","3.938","1.099","2.833","0.319","0","0","0","0","0.291","1.41","0.713","5.74","0","0","2.288"
-"UMLCN0431","V","Alkanes","","2-Methyl-3-ethylpentane","CCC(CC)C(C)C","C8H18","Kubic (2016)","Unknown","0","12","3.938","0","4.157","0.303","0","0","0","0","0.291","1.292","1.208","6.066","0","0","2.301"
-"UMLCN0433","V","Alkanes","","2,2-Dimethylpentane","CCCC(C)(C)C","C7H16","Kubic (2016)","Unknown","0","30","2.344","0","2.886","0.274","0","0","0","0","0.293","1.301","0.481","6.815","0","0","2.101"
-"UMLCN0434","V","Alkanes","","3-methylhexane","CCCC(C)CC","C7H16","NREL (2014)","IQT","0","42","4.167","0.693","1.801","0.309","0","0","0","0","0.298","1.327","0.561","5.293","0","0","1.603"
-"UMLCN0435","V","Naphthenes","","n-Propylcyclopentane","CCCC1CCCC1","C8H16","Kubic (2016)","Unknown","0","37","2.382","1.946","1.235","0.29","0","0","0","0","0.277","1.452","0.364","5.855","0","0","0.685"
-"UMLCN0436","V","Alkanes","","2,2-Dimethylhexane","CCCCC(C)(C)C","C8H18","Kubic (2016)","Unknown","0","40","3.111","1.386","2.886","0.294","0","0","0","0","0.285","1.418","0.44","6.836","0","0","2.249"
-"UMLCN0437","V","Alkanes","","2,2-Dimethylheptane","CCCCCC(C)(C)C","C9H20","Kubic (2016)","Unknown","0","49","3.92","1.609","2.886","0.308","0","0","0","0","0.276","1.494","0.563","6.858","0","0","2.354"
-"UMLCN0438","V","Alkanes","","2-Methyloctane","CCCCCCC(C)C","C9H20","Kubic (2016)","Unknown","0","39","6.125","1.609","1.546","0.298","0","0","0","0","0.273","1.512","0.545","5.313","0","0","1.709"
-"UMLCN0440","V","Aromatics","Ethers","anisole","COC1=CC=CC=C1","C7H8O","NREL (2014)","IQT","0","6","1.649","4.15","0.889","1.414","0","0","0","1","0.53","1.064","0.176","5.838","0","0","2.828"
-"UMLCN0441","V","Aromatics","Ethers","4-methylanisole","CC1=CC=C(C=C1)OC","C8H10O","NREL (2014)","IQT","0","7.4","1.854","4.386","0.834","1.469","0","0","0","1","0.581","1.157","0.315","6.196","0","0","3.155"
-"UMLCN0442","V","Aromatics","Ethers","guaiacol","COC1=CC=CC=C1O","C7H8O2","NREL (2014)","IQT","0","19.3","1.824","4.298","0.889","2.986","1","0","0","2","0.636","1.064","0.217","6.365","0","0","8.561"
-"UMLCN0443","V","Aromatics","Ethers","4-propylanisole","CCCC1=CC=C(C=C1)OC","C10H14O","NREL (2014)","IQT","0","7.5","3.118","4.517","1.188","1.547","0","-1.602","0","1","0.556","1.43","0.538","6.361","0","0","3.938"
-"UMLCN0444","V","Aromatics","Alcohols","2-phenylethanol","C1=CC=C(C=C1)CCO","C8H10O","NREL (2014)","IQT","0","8","2.28","4.219","0.917","2.52","1","0","0","1","0.584","1.295","0.057","5.911","0","0","5.08"
-"UMLCN0445","V","Aromatics","Ethers","4-methylguaiacol","CC1=CC(=C(C=C1)O)OC","C8H10O2","NREL (2014)","IQT","0","19.8","2.043","4.529","0.827","3.11","1","-2","0","2","0.657","1.134","0.183","6.6","0","0","8.971"
-"UMLCN0446","V","Aromatics","Phenols","4-propylphenol","CCCC1=CC=C(C=C1)O","C9H12O","NREL (2014)","IQT","0","8.6","2.461","4.44","1.086","2.925","1","-2","0","1","0.611","1.424","0.152","6.248","0","0","6.141"
-"UMLCN0447","V","Aromatics","Ethers","4-ethylguaiacol","CCC1=CC(=C(C=C1)O)OC","C9H12O2","NREL (2014)","IQT","0","19.6","2.629","4.622","1.128","3.205","1","-1.515","0","2","0.634","1.303","0.216","6.681","0","0","9.409"
-"UMLCN0448","T","Aromatics","Ethers","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","NREL (2014)","IQT","0","18","3.261","4.665","1.18","3.278","1","-1.277","0","2","0.613","1.428","0.255","6.713","0","0","9.769"
-"UMLCN0449","T","Aromatics","Ethers","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","McCormick (2015)","Unknown","0","26","2.596","4.553","0.968","3.339","1","-1.413","0","3","0.607","1.101","0.593","6.788","0","0","12.107"
-"UMLCN0450","T","Aromatics","Ethers","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","NREL (2014)","IQT","0","25","2.812","4.756","0.899","3.463","1","-1.413","0","3","0.602","1.144","0.513","6.954","0","0","12.68"
-"UMLCN0451","T","Cyclic Ethers","Aromatics","furfural","C1=COC(=C1)C=O","C5H4O2","NREL (2014)","IQT","0","13.9","1.047","3.204","1.415","2.774","0","0","0","2","0.661","1.275","0","5.778","0","0","7.777"
-"UMLCN0452","T","Aromatics","Cyclic","indan","C1CC2=CC=CC=C2C1","C9H10","NREL (2014)","IQT","0","8.6","1.048","4.525","0.586","0.238","0","-2","0","0","0.526","1.446","0.019","6.592","0","0","1.47"
-"UMLCN0453","T","Naphthenes","","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","NREL (2014)","IQT","0","20.4","1","3.714","4.877","0.12","0","-1.618","0","0","0.278","1.554","0.408","7.277","0","0","1.069"
-"UMLCN0454","T","Ketones","Cyclic","cyclopentanone","C1CCC(=O)C1","C5H8O","NREL (2014)","IQT","0","9","0.91","1.609","0.673","3.243","0","0","0","1","0.463","1.418","0","5.565","0","0","6.486"
-"UMLCN0455","T","Alkenes","","ocimene","CC(=CCC=C(C)C=C)C","C10H16","NREL (2014)","IQT","0","28","4.649","3.045","4.586","0.669","0","0","0","0","0.526","1.543","0.654","5.844","0","0","2.63"
-"UMLCN0456","T","Alkenes","","farnesene","CC(=CCCC(=CCC=C(C)C=C)C)C","C15H24","NREL (2014)","IQT","0","32","7.71","3.555","7.74","0.731","0","-0.826","0","0","0.47","1.664","1.355","6.351","-0.802","0","4.221"
-"UMLCN0457","T","Alkenes","Alcohols","farnesol","CC(=CCCC(=CCCC(=CCO)C)C)C","C15H26O","NREL (2014)","IQT","0","24","8.93","3.367","7.072","2.715","1","-0.32","-1.641","1","0.428","1.664","1.604","6.395","-0.644","0","7.733"
-"UMLCN0458","T","Esters","Ketones","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","NREL (2014)","IQT","0","7.8","3.894","2.398","0.322","3.342","0","0","0","3","0.53","1.207","0.455","5.784","0","0","14.815"
-"UMLCN0459","T","Esters","","methyl acetate","CC(=O)OC","C3H6O2","NREL (2014)","IQT","0","19.5","1.772","0","0.012","2.59","0","0","0","2","0.592","0.942","0.26","4.762","0","0","6.403"
-"UMLCN0460","T","Aromatics","","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","NREL (2014)","IQT","0","10.1","1.564","4.343","0.603","0.157","0","0","0","0","0.464","1.18","1.163","6.621","0","0","1.634"
-"UMLCN0461","T","Cycloalkenes","Cyclic","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","NREL (2014)","IQT","0","27","1.073","3.85","6.133","0.427","0","-1.765","0","0","0.461","1.476","0.709","8.069","0","0","3.036"
-"UMLCN0462","T","Cycloalkenes","Alkenes","caryophyllene","CC1=CCCC(=C)C2CC(C2CC1)(C)C","C15H24","NREL (2014)","IQT","0","29","2.788","4.043","10.054","1.302","0","-0.815","-1.796","0","0.468","1.717","1.765","7.886","-0.646","0","5.731"
-"UMLCN0463","T","Naphthenes","","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","NREL (2014)","IQT","0","30.5","1.929","2.398","4.858","0.371","0","0","0","0","0.309","1.271","0.368","6.075","0","0","1.483"
-"UMLCN0464","T","Naphthenes","","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","NREL (2014)","IQT","0","24","1.929","2.398","5.122","0.379","0","0","0","0","0.309","1.214","0.57","6.24","0","0","1.515"
-"UMLCN0465","T","Aromatics","","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","NREL (2014)","IQT","0","7.6","3.334","4.707","1.475","0.319","0","-1.524","0","0","0.428","1.385","0.228","6.661","0","0","3.211"
-"UMLCN0466","T","Naphthenes","","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","NREL (2014)","IQT","0","42.7","1.54","4.111","12.374","0.41","0","-1","0","0","0.285","1.415","0.614","7.326","-1","0","1.842"
-"UMLCN0467","T","Alkenes","","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","NREL (2014)","IQT","0","27","4.47","1.946","4.006","0.337","0","0","0","0","0.412","1.449","0.475","5.82","0","0","2.321"
-"UMLCN0468","T","Alcohols","","4-heptanol","CCCC(CCC)O","C7H16O","NREL (2014)","IQT","0","21","5.08","1.099","0.541","3.049","1","0","0","1","0.382","1.397","0.325","5.416","0","0","6.483"
-"UMLCN0469","T","Naphthenes","","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","NREL (2014)","IQT","0","48.6","1.757","4.159","10.832","0.374","0","-1","-2","0","0.289","1.491","0.442","7.742","-1","0","2.049"
-"UMLCN0470","T","Naphthenes","","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","NREL (2014)","IQT","0","49.1","2.146","4.205","10.832","0.348","0","-1","-2","0","0.277","1.552","0.428","7.751","-0.863","0","2.096"
-"UMLCN0471","T","Ketones","","4-nonanone","CCCCCC(=O)CCC","C9H18O","NREL (2014)","IQT","0","43","6.57","1.946","0.45","3.918","0","0","0","1","0.353","1.501","0.425","5.58","0","0","8.256"
-"UMLCN0472","T","Ketones","","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","NREL (2014)","IQT","0","49","8.532","2.398","0.45","4.193","0","-1.677","0","1","0.32","1.57","0.803","5.72","0","0","9.058"
-"UMLCN0473","T","Esters","","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","NREL (2014)","IQT","0","31","8.466","2.398","0.485","3.97","0","-1.576","0","2","0.375","1.545","0.741","5.72","0","0","11.352"
-"UMLCN0474","T","Alcohols","","2-heptanol","CCCCCC(C)O","C7H16O","NREL (2014)","IQT","0","25","5.08","1.386","0.525","2.779","1","0","0","1","0.382","1.398","0.232","5.209","0","0","5.895"
-"UMLCN0475","T","Alcohols","","4-nonanol","CCCCCC(CCC)O","C9H20O","NREL (2014)","IQT","0","28","7.045","1.792","0.541","3.276","1","0","0","1","0.336","1.506","0.613","5.58","0","0","7.153"
-"UMLCN0476","T","Esters","","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","NREL (2014)","IQT","0","42.2","8.466","2.197","0.293","3.854","0","-1.412","0","2","0.375","1.47","0.795","5.72","0","0","10.698"
-"UMLCN0477","T","Esters","","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","NREL (2014)","IQT","0","29","8.466","2.197","0.485","3.854","0","-1.41","0","2","0.375","1.534","0.695","5.72","0","0","11.027"
-"UMLCN0478","T","Esters","","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","NREL (2014)","IQT","0","40","10.437","2.565","0.485","4.128","0","-0.987","0","2","0.34","1.61","1.068","5.844","-1.019","0","12.074"
-"UMLCN0479","T","Esters","","pentyl acetate","CCCCCOC(=O)C","C7H14O2","NREL (2014)","IQT","0","23.6","5.534","1.792","0.263","3.185","0","0","0","2","0.442","1.326","0.405","5.313","0","0","9.017"
-"UMLCN0480","T","Cyclic Ethers","Aromatics","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","NREL (2014)","IQT","0","18.4","2.487","3.234","0.384","1.584","0","0","0","2","0.646","1.342","0.072","5.911","0","0","6.189"
-"UMLCN0481","T","Cyclic Ethers","Ethers","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","NREL (2014)","IQT","0","78.9","3.014","2.197","0.52","1.83","0","0","0","2","0.404","1.363","0.198","5.911","0","0","7.063"
diff --git a/tests/remove_outliers/config.yml b/tests/remove_outliers/config.yml
deleted file mode 100644
index c122a26..0000000
--- a/tests/remove_outliers/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.9
-beta_2: 0.999
-decay: 0.0
-epochs: 1000
-epsilon: 1.0e-07
-hidden_layers:
-- - 32
-  - relu
-- - 32
-  - relu
-learning_rate: 0.001
-output_activation: linear
diff --git a/tests/remove_outliers/test.py b/tests/remove_outliers/test.py
deleted file mode 100644
index 9210adc..0000000
--- a/tests/remove_outliers/test.py
+++ /dev/null
@@ -1,15 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def main():
-
-    logger.stream_level = 'debug'
-    sv = Server()
-    sv.load_data('cn_model_v1.0.csv')
-    sv.remove_outliers(output_filename='cn_no_outliers.csv')
-
-
-if __name__ == '__main__':
-
-    main()
diff --git a/tests/test_all.bat b/tests/test_all.bat
deleted file mode 100644
index 214083d..0000000
--- a/tests/test_all.bat
+++ /dev/null
@@ -1,31 +0,0 @@
-cd ./database_creation
-python ./test.py
-cd ../
-
-cd ./hyperparameter_tuning
-python ./test.py
-cd ../
-
-cd ./limit_inputs
-python ./test.py
-cd ../
-
-cd ./logging
-python ./test.py
-cd ../
-
-cd ./remove_outliers
-python ./test.py
-cd ../
-
-cd ./training
-python ./test.py
-cd ../
-
-cd ./use_project
-python ./test.py
-cd ../
-
-cd ./use_project_tool
-python ./test.py
-cd ../
diff --git a/tests/training/_test_train_res.csv b/tests/training/_test_train_res.csv
deleted file mode 100644
index dde3998..0000000
--- a/tests/training/_test_train_res.csv
+++ /dev/null
@@ -1,37 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","GROUP","TARGET","RESULT"
-"DATAID","ASSIGNMENT","Compound Group","CG2","Compound Name","SMILES","Formula","Source","Method","Null","CN (Exp)","Result"
-"UMLCN0448","T","Aromatics","Ethers","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","NREL (2014)","IQT","0","18","20.293695"
-"UMLCN0449","T","Aromatics","Ethers","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","McCormick (2015)","Unknown","0","26","25.897953"
-"UMLCN0450","T","Aromatics","Ethers","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","NREL (2014)","IQT","0","25","25.302227"
-"UMLCN0451","T","Cyclic Ethers","Aromatics","furfural","C1=COC(=C1)C=O","C5H4O2","NREL (2014)","IQT","0","13.9","15.271013"
-"UMLCN0452","T","Aromatics","Cyclic","indan","C1CC2=CC=CC=C2C1","C9H10","NREL (2014)","IQT","0","8.6","1.5922166"
-"UMLCN0453","T","Naphthenes","","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","NREL (2014)","IQT","0","20.4","27.13271"
-"UMLCN0454","T","Ketones","Cyclic","cyclopentanone","C1CCC(=O)C1","C5H8O","NREL (2014)","IQT","0","9","10.505054"
-"UMLCN0455","T","Alkenes","","ocimene","CC(=CCC=C(C)C=C)C","C10H16","NREL (2014)","IQT","0","28","33.73534"
-"UMLCN0456","T","Alkenes","","farnesene","CC(=CCCC(=CCC=C(C)C=C)C)C","C15H24","NREL (2014)","IQT","0","32","35.00647"
-"UMLCN0457","T","Alkenes","Alcohols","farnesol","CC(=CCCC(=CCCC(=CCO)C)C)C","C15H26O","NREL (2014)","IQT","0","24","30.646442"
-"UMLCN0458","T","Esters","Ketones","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","NREL (2014)","IQT","0","7.8","5.0607443"
-"UMLCN0459","T","Esters","","methyl acetate","CC(=O)OC","C3H6O2","NREL (2014)","IQT","0","19.5","2.2291694"
-"UMLCN0460","T","Aromatics","","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","NREL (2014)","IQT","0","10.1","4.919903"
-"UMLCN0461","T","Cycloalkenes","Cyclic","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","NREL (2014)","IQT","0","27","17.987886"
-"UMLCN0462","T","Cycloalkenes","Alkenes","caryophyllene","CC1=CCCC(=C)C2CC(C2CC1)(C)C","C15H24","NREL (2014)","IQT","0","29","16.377556"
-"UMLCN0463","T","Naphthenes","","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","NREL (2014)","IQT","0","30.5","27.250355"
-"UMLCN0464","T","Naphthenes","","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","NREL (2014)","IQT","0","24","25.418507"
-"UMLCN0465","T","Aromatics","","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","NREL (2014)","IQT","0","7.6","8.730541"
-"UMLCN0466","T","Naphthenes","","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","NREL (2014)","IQT","0","42.7","22.840473"
-"UMLCN0467","T","Alkenes","","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","NREL (2014)","IQT","0","27","37.813805"
-"UMLCN0468","T","Alcohols","","4-heptanol","CCCC(CCC)O","C7H16O","NREL (2014)","IQT","0","21","20.449608"
-"UMLCN0469","T","Naphthenes","","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","NREL (2014)","IQT","0","48.6","22.021713"
-"UMLCN0470","T","Naphthenes","","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","NREL (2014)","IQT","0","49.1","23.239006"
-"UMLCN0471","T","Ketones","","4-nonanone","CCCCCC(=O)CCC","C9H18O","NREL (2014)","IQT","0","43","38.437317"
-"UMLCN0472","T","Ketones","","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","NREL (2014)","IQT","0","49","46.17474"
-"UMLCN0473","T","Esters","","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","NREL (2014)","IQT","0","31","37.80131"
-"UMLCN0474","T","Alcohols","","2-heptanol","CCCCCC(C)O","C7H16O","NREL (2014)","IQT","0","25","21.066547"
-"UMLCN0475","T","Alcohols","","4-nonanol","CCCCCC(CCC)O","C9H20O","NREL (2014)","IQT","0","28","31.516705"
-"UMLCN0476","T","Esters","","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","NREL (2014)","IQT","0","42.2","38.65052"
-"UMLCN0477","T","Esters","","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","NREL (2014)","IQT","0","29","44.08466"
-"UMLCN0478","T","Esters","","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","NREL (2014)","IQT","0","40","49.27944"
-"UMLCN0479","T","Esters","","pentyl acetate","CCCCCOC(=O)C","C7H14O2","NREL (2014)","IQT","0","23.6","24.999998"
-"UMLCN0480","T","Cyclic Ethers","Aromatics","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","NREL (2014)","IQT","0","18.4","15.497747"
-"UMLCN0481","T","Cyclic Ethers","Ethers","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","NREL (2014)","IQT","0","78.9","34.456512"
-"UMLCN0482","T","Esters","Olefins","dibutyl fumarate","CCCCOC(=O)C=CC(=O)OCCCC","C12H20O4","Jenkins (2013)","CFR","0","23","20.105234"
diff --git a/tests/training/_training_test_1.prj b/tests/training/_training_test_1.prj
deleted file mode 100644
index 7748c1db6619423bbdcb029f9029440a1bcc24e8..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/tests/training/cn_model_v1.0.csv b/tests/training/cn_model_v1.0.csv
deleted file mode 100644
index b86906e..0000000
--- a/tests/training/cn_model_v1.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
-DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
-UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
-UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
-UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
-UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
-UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
-UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
-UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
-UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
-UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
-UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
-UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
-UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
-UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
-UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
-UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
-UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
-UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
-UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
-UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
-UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
-UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
-UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
-UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
-UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
-UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
-UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
-UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
-UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
-UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
-UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
-UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
-UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
-UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
-UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
-UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
-UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
-UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
-UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
-UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
-UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
-UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
-UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
-UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
-UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
-UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
-UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
-UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
-UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
-UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
-UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
-UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
-UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
-UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
-UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
-UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
-UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
-UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
-UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
-UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
-UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
-UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
-UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
-UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
-UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
-UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
-UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
-UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
-UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
-UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
-UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
-UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
-UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
-UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
-UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
-UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
-UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
-UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
-UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
-UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
-UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
-UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
-UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
-UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
-UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
-UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
-UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
-UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
-UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
-UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
-UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
-UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
-UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
-UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
-UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
-UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
-UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
-UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
-UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
-UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
-UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
-UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
-UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
-UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
-UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
-UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
-UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
-UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
-UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
-UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
-UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
-UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
-UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
-UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
-UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
-UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
-UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
-UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
-UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
-UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
-UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
-UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
-UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
-UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
-UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
-UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
-UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
-UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
-UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
-UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
-UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
-UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
-UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
-UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
-UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
-UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
-UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
-UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
-UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
-UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
-UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
-UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
-UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
-UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
-UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
-UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
-UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
-UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
-UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
-UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
-UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
-UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
-UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
-UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
-UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
-UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
-UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
-UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
-UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
-UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
-UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
-UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
-UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
-UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
-UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
-UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
-UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
-UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
-UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
-UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
-UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
-UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
-UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
-UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
-UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
-UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
-UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
-UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
-UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
-UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
-UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
-UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
-UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
-UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
-UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
-UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
-UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
-UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
-UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
-UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
-UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
-UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
-UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
-UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
-UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
-UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
-UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
-UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
-UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
-UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
-UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
-UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
-UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
-UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
-UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
-UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
-UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
-UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
-UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
-UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
-UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
-UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
-UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
-UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
-UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
-UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
-UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
-UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
-UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
-UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
-UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
-UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
-UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
-UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
-UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
-UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
-UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
-UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
-UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
-UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
-UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
-UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
-UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
-UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
-UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
-UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
-UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
-UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
-UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
-UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
-UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
-UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
-UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
-UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
-UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
-UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
-UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
-UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
-UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
-UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
-UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
-UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
-UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
-UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
-UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
-UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
-UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
-UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
-UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
-UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
-UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
-UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
-UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
-UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
-UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
-UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
-UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
-UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
-UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
-UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
-UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
-UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
-UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
-UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
-UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
-UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
-UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
-UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
-UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
-UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
-UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
-UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
-UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
-UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
-UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
-UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
-UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
-UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
-UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
-UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
-UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
-UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
-UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
-UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
-UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
-UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
-UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
-UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
-UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
-UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
-UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
-UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
-UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
-UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
-UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
-UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
-UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
-UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
-UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
-UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
-UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
-UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
-UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
-UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
-UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
-UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
-UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
-UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
-UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
-UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
-UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
-UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
-UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
-UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
-UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
-UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
-UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
-UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
-UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
-UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
-UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
-UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
-UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
-UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
-UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
-UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
-UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
-UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
-UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
-UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
-UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
-UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
-UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
-UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
-UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
-UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
-UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
-UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
-UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
-UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
-UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
-UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
-UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
-UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
-UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
-UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
-UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
-UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
-UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
-UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
-UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
-UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
-UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
-UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
-UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
-UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
-UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
-UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
-UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
-UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
-UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
-UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
-UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
-UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
-UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
-UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
-UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
-UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
-UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
-UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
-UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
-UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
-UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
-UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
-UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
-UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
-UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
-UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
-UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
-UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
-UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
-UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
-UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
-UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
-UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
-UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
-UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
-UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
-UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
-UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
-UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
-UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
-UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
-UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
-UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
-UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
-UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
-UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
-UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
-UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
-UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
-UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
-UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
-UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
-UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
-UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
-UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
-UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
-UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
-UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
-UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
-UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
-UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
-UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
-UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
-UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
-UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
-UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
-UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
-UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
-UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
-UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
-UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
-UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
-UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
-UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
-UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
-UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
-UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
-UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
-UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
-UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
-UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
-UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
-UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
-UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
-UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
-UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
-UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
-UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
-UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
-UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
-UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
-UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
-UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
-UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
-UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
-UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
-UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
-UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
-UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
-UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
-UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
-UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
-UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
-UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
-UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
-UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
-UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
-UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
-UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
-UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
-UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
-UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
-UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
-UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
-UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
-UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
-UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
-UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
-UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
-UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
-UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/training/config.yml b/tests/training/config.yml
deleted file mode 100644
index c122a26..0000000
--- a/tests/training/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.9
-beta_2: 0.999
-decay: 0.0
-epochs: 1000
-epsilon: 1.0e-07
-hidden_layers:
-- - 32
-  - relu
-- - 32
-  - relu
-learning_rate: 0.001
-output_activation: linear
diff --git a/tests/training/model.h5 b/tests/training/model.h5
deleted file mode 100644
index 23d31c444c0be06ca9b69326a619b5df5827d50f..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/tests/training/test.py b/tests/training/test.py
deleted file mode 100644
index d0ee7ba..0000000
--- a/tests/training/test.py
+++ /dev/null
@@ -1,56 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def train(validate, dset=None):
-
-    sv = Server()
-    sv.load_data('cn_model_v1.0.csv')
-    sv.train(validate=validate, selection_set=dset)
-    sv.use(dset=dset)
-    sv.errors('rmse', 'med_abs_error', 'mean_abs_error', 'r2', dset=dset)
-
-
-def train_project(validate, shuffle, prj_count, split=[0.7, 0.2, 0.1],
-                  num_processes=1, dset=None, sel_fn='rmse',
-                  output_filename=None):
-
-    sv = Server(num_processes=num_processes)
-    sv.load_data('cn_model_v1.0.csv')
-    sv.create_project(
-        '_training_test_{}'.format(prj_count),
-        num_pools=2,
-        num_candidates=2
-    )
-    sv.train(shuffle=shuffle, split=split, selection_set=dset,
-             selection_fn=sel_fn, validate=validate)
-    sv.use(dset=dset, output_filename=output_filename)
-    sv.errors('rmse', 'med_abs_error', 'mean_abs_error', 'r2')
-    sv.save_project()
-
-
-def retrain():
-
-    sv = Server(prj_file='_training_test_1.prj')
-    sv.load_data('cn_model_v1.0.csv')
-    sv.train(retrain=True)
-    sv.save_project(del_candidates=True)
-
-
-if __name__ == '__main__':
-
-    logger.stream_level = 'debug'
-    train(False)
-    train(True)
-    train(True, dset='learn')
-    train(True, dset='valid')
-    train(True, dset='train')
-    train(True, dset='test')
-    train_project(False, None, 1, None, 1, None)
-    train_project(True, 'all', 2)
-    train_project(True, 'all', 3, num_processes=4)
-    train_project(True, 'train', 4, dset='test',
-                  output_filename='_test_train_res.csv')
-    train_project(True, 'train', 5, dset='test', sel_fn='mean_abs_error')
-    train_project(True, 'train', 6, dset='test', sel_fn='med_abs_error')
-    retrain()
diff --git a/tests/use_project/cn_model_v1.0.csv b/tests/use_project/cn_model_v1.0.csv
deleted file mode 100644
index b86906e..0000000
--- a/tests/use_project/cn_model_v1.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
-DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
-UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
-UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
-UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
-UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
-UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
-UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
-UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
-UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
-UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
-UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
-UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
-UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
-UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
-UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
-UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
-UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
-UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
-UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
-UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
-UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
-UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
-UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
-UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
-UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
-UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
-UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
-UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
-UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
-UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
-UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
-UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
-UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
-UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
-UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
-UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
-UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
-UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
-UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
-UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
-UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
-UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
-UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
-UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
-UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
-UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
-UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
-UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
-UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
-UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
-UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
-UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
-UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
-UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
-UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
-UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
-UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
-UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
-UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
-UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
-UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
-UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
-UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
-UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
-UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
-UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
-UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
-UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
-UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
-UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
-UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
-UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
-UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
-UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
-UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
-UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
-UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
-UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
-UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
-UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
-UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
-UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
-UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
-UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
-UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
-UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
-UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
-UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
-UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
-UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
-UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
-UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
-UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
-UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
-UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
-UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
-UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
-UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
-UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
-UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
-UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
-UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
-UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
-UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
-UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
-UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
-UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
-UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
-UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
-UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
-UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
-UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
-UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
-UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
-UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
-UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
-UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
-UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
-UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
-UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
-UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
-UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
-UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
-UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
-UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
-UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
-UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
-UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
-UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
-UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
-UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
-UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
-UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
-UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
-UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
-UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
-UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
-UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
-UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
-UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
-UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
-UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
-UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
-UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
-UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
-UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
-UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
-UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
-UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
-UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
-UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
-UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
-UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
-UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
-UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
-UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
-UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
-UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
-UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
-UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
-UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
-UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
-UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
-UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
-UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
-UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
-UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
-UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
-UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
-UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
-UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
-UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
-UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
-UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
-UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
-UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
-UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
-UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
-UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
-UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
-UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
-UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
-UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
-UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
-UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
-UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
-UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
-UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
-UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
-UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
-UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
-UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
-UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
-UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
-UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
-UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
-UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
-UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
-UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
-UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
-UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
-UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
-UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
-UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
-UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
-UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
-UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
-UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
-UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
-UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
-UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
-UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
-UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
-UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
-UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
-UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
-UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
-UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
-UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
-UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
-UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
-UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
-UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
-UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
-UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
-UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
-UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
-UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
-UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
-UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
-UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
-UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
-UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
-UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
-UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
-UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
-UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
-UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
-UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
-UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
-UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
-UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
-UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
-UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
-UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
-UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
-UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
-UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
-UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
-UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
-UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
-UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
-UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
-UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
-UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
-UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
-UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
-UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
-UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
-UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
-UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
-UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
-UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
-UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
-UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
-UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
-UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
-UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
-UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
-UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
-UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
-UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
-UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
-UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
-UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
-UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
-UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
-UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
-UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
-UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
-UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
-UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
-UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
-UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
-UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
-UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
-UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
-UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
-UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
-UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
-UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
-UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
-UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
-UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
-UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
-UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
-UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
-UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
-UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
-UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
-UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
-UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
-UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
-UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
-UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
-UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
-UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
-UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
-UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
-UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
-UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
-UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
-UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
-UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
-UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
-UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
-UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
-UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
-UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
-UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
-UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
-UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
-UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
-UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
-UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
-UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
-UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
-UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
-UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
-UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
-UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
-UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
-UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
-UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
-UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
-UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
-UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
-UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
-UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
-UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
-UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
-UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
-UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
-UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
-UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
-UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
-UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
-UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
-UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
-UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
-UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
-UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
-UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
-UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
-UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
-UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
-UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
-UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
-UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
-UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
-UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
-UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
-UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
-UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
-UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
-UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
-UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
-UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
-UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
-UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
-UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
-UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
-UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
-UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
-UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
-UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
-UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
-UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
-UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
-UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
-UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
-UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
-UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
-UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
-UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
-UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
-UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
-UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
-UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
-UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
-UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
-UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
-UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
-UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
-UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
-UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
-UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
-UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
-UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
-UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
-UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
-UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
-UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
-UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
-UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
-UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
-UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
-UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
-UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
-UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
-UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
-UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
-UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
-UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
-UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
-UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
-UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
-UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
-UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
-UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
-UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
-UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
-UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
-UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
-UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
-UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
-UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
-UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
-UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
-UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
-UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
-UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
-UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
-UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
-UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
-UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
-UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
-UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
-UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
-UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
-UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
-UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
-UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
-UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
-UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
-UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
-UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
-UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
-UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
-UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
-UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
-UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
-UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
-UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
-UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
-UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
-UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
-UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
-UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
-UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
-UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
-UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
-UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
-UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
-UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
-UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
-UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
-UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
-UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
-UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
-UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
-UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
-UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
-UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
-UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
-UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
-UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
-UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
-UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
-UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
-UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
-UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
-UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/use_project/config.yml b/tests/use_project/config.yml
deleted file mode 100644
index c122a26..0000000
--- a/tests/use_project/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.9
-beta_2: 0.999
-decay: 0.0
-epochs: 1000
-epsilon: 1.0e-07
-hidden_layers:
-- - 32
-  - relu
-- - 32
-  - relu
-learning_rate: 0.001
-output_activation: linear
diff --git a/tests/use_project/test.py b/tests/use_project/test.py
deleted file mode 100644
index 9d01a92..0000000
--- a/tests/use_project/test.py
+++ /dev/null
@@ -1,29 +0,0 @@
-from ecnet import Server
-from ecnet.utils.logging import logger
-
-
-def create_project():
-
-    sv = Server()
-    sv.load_data('cn_model_v1.0.csv')
-    sv.create_project(
-        'use_project',
-        num_pools=2,
-        num_candidates=2
-    )
-    sv.train()
-    sv.save_project()
-
-
-def use_project():
-
-    sv = Server(prj_file='use_project.prj')
-    sv.use('train', output_filename='use_project_train.csv')
-    sv.use('test', output_filename='use_project_test.csv')
-
-
-if __name__ == '__main__':
-
-    logger.stream_level = 'info'
-    create_project()
-    use_project()
diff --git a/tests/use_project/use_project.prj b/tests/use_project/use_project.prj
deleted file mode 100644
index b8f2286c582d8ad3ac26047b3c0f29c64bb68ee7..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 540389
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Zk^j_*i1fFCSg)rH0t`%oFv{!Q{{dkPZ4dwe

diff --git a/tests/use_project/use_project_test.csv b/tests/use_project/use_project_test.csv
deleted file mode 100644
index 823ae83..0000000
--- a/tests/use_project/use_project_test.csv
+++ /dev/null
@@ -1,37 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","GROUP","TARGET","RESULT"
-"DATAID","ASSIGNMENT","Compound Group","CG2","Compound Name","SMILES","Formula","Source","Method","Null","CN (Exp)","Result"
-"UMLCN0448","T","Aromatics","Ethers","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","NREL (2014)","IQT","0","18","14.994489"
-"UMLCN0449","T","Aromatics","Ethers","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","McCormick (2015)","Unknown","0","26","20.086191"
-"UMLCN0450","T","Aromatics","Ethers","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","NREL (2014)","IQT","0","25","19.25454"
-"UMLCN0451","T","Cyclic Ethers","Aromatics","furfural","C1=COC(=C1)C=O","C5H4O2","NREL (2014)","IQT","0","13.9","20.7887"
-"UMLCN0452","T","Aromatics","Cyclic","indan","C1CC2=CC=CC=C2C1","C9H10","NREL (2014)","IQT","0","8.6","1.0118451"
-"UMLCN0453","T","Naphthenes","","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","NREL (2014)","IQT","0","20.4","25.897213"
-"UMLCN0454","T","Ketones","Cyclic","cyclopentanone","C1CCC(=O)C1","C5H8O","NREL (2014)","IQT","0","9","11.748185"
-"UMLCN0455","T","Alkenes","","ocimene","CC(=CCC=C(C)C=C)C","C10H16","NREL (2014)","IQT","0","28","36.983498"
-"UMLCN0456","T","Alkenes","","farnesene","CC(=CCCC(=CCC=C(C)C=C)C)C","C15H24","NREL (2014)","IQT","0","32","35.710705"
-"UMLCN0457","T","Alkenes","Alcohols","farnesol","CC(=CCCC(=CCCC(=CCO)C)C)C","C15H26O","NREL (2014)","IQT","0","24","29.189795"
-"UMLCN0458","T","Esters","Ketones","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","NREL (2014)","IQT","0","7.8","8.218357"
-"UMLCN0459","T","Esters","","methyl acetate","CC(=O)OC","C3H6O2","NREL (2014)","IQT","0","19.5","9.8409195"
-"UMLCN0460","T","Aromatics","","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","NREL (2014)","IQT","0","10.1","6.5911427"
-"UMLCN0461","T","Cycloalkenes","Cyclic","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","NREL (2014)","IQT","0","27","18.977207"
-"UMLCN0462","T","Cycloalkenes","Alkenes","caryophyllene","CC1=CCCC(=C)C2CC(C2CC1)(C)C","C15H24","NREL (2014)","IQT","0","29","15.893791"
-"UMLCN0463","T","Naphthenes","","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","NREL (2014)","IQT","0","30.5","28.811848"
-"UMLCN0464","T","Naphthenes","","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","NREL (2014)","IQT","0","24","28.875004"
-"UMLCN0465","T","Aromatics","","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","NREL (2014)","IQT","0","7.6","7.2937512"
-"UMLCN0466","T","Naphthenes","","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","NREL (2014)","IQT","0","42.7","21.234255"
-"UMLCN0467","T","Alkenes","","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","NREL (2014)","IQT","0","27","35.290363"
-"UMLCN0468","T","Alcohols","","4-heptanol","CCCC(CCC)O","C7H16O","NREL (2014)","IQT","0","21","18.998554"
-"UMLCN0469","T","Naphthenes","","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","NREL (2014)","IQT","0","48.6","18.70348"
-"UMLCN0470","T","Naphthenes","","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","NREL (2014)","IQT","0","49.1","20.36884"
-"UMLCN0471","T","Ketones","","4-nonanone","CCCCCC(=O)CCC","C9H18O","NREL (2014)","IQT","0","43","37.72121"
-"UMLCN0472","T","Ketones","","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","NREL (2014)","IQT","0","49","39.928566"
-"UMLCN0473","T","Esters","","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","NREL (2014)","IQT","0","31","32.7824"
-"UMLCN0474","T","Alcohols","","2-heptanol","CCCCCC(C)O","C7H16O","NREL (2014)","IQT","0","25","21.46388"
-"UMLCN0475","T","Alcohols","","4-nonanol","CCCCCC(CCC)O","C9H20O","NREL (2014)","IQT","0","28","27.711792"
-"UMLCN0476","T","Esters","","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","NREL (2014)","IQT","0","42.2","32.259895"
-"UMLCN0477","T","Esters","","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","NREL (2014)","IQT","0","29","38.04531"
-"UMLCN0478","T","Esters","","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","NREL (2014)","IQT","0","40","42.020355"
-"UMLCN0479","T","Esters","","pentyl acetate","CCCCCOC(=O)C","C7H14O2","NREL (2014)","IQT","0","23.6","25.223852"
-"UMLCN0480","T","Cyclic Ethers","Aromatics","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","NREL (2014)","IQT","0","18.4","17.279696"
-"UMLCN0481","T","Cyclic Ethers","Ethers","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","NREL (2014)","IQT","0","78.9","37.211246"
-"UMLCN0482","T","Esters","Olefins","dibutyl fumarate","CCCCOC(=O)C=CC(=O)OCCCC","C12H20O4","Jenkins (2013)","CFR","0","23","16.982584"
diff --git a/tests/use_project/use_project_train.csv b/tests/use_project/use_project_train.csv
deleted file mode 100644
index 1a0d33d..0000000
--- a/tests/use_project/use_project_train.csv
+++ /dev/null
@@ -1,449 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","GROUP","TARGET","RESULT"
-"DATAID","ASSIGNMENT","Compound Group","CG2","Compound Name","SMILES","Formula","Source","Method","Null","CN (Exp)","Result"
-"UMLCN0001","L","Cyclic Ethers","Aromatics","5,5'-(furan-2-ylmethylene)bis(2-methylfuran)","CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C","C15H14O3","Kessler (2017)","IQT","0","25.5","24.985523"
-"UMLCN0002","L","Cyclic Ethers","Aromatics","2-butylfuran","CCCCC1=CC=CO1","C8H12O","Marquardt (2015)","IQT","0","13.1","19.106281"
-"UMLCN0003","L","Cyclic Ethers","","tetrahydropyran","C1CCOCC1","C5H10O","Marquardt (2015)","IQT","0","38.2","32.37464"
-"UMLCN0004","L","Cyclic Ethers","Aromatics","2,5-dimethylfuran","CC1=CC=C(C)O1","C6H8O","Marquardt (2015)","IQT","0","10.9","11.932074"
-"UMLCN0005","L","Cyclic Ethers","Olefins","2,5-dihydrofuran","C1C=CCO1","C4H6O","Marquardt (2015)","IQT","0","15.6","18.135365"
-"UMLCN0006","L","Cyclic Ethers","Aromatics","tris(5-methylfuran-2-yl)methane","CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C","C16H16O3","Kessler (2017)","IQT","0","22.3","27.285385"
-"UMLCN0007","L","Cyclic Ethers","","2-butyltetrahydrofuran","CCCCC1CCCO1","C8H16O","Marquardt (2015)","IQT","0","45.5","42.090557"
-"UMLCN0008","L","Cyclic Ethers","","tris(5-methyltetrahydrofuran-2-yl)methane","CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3","C16H28O3","Kessler (2017)","IQT","0","59.8","55.73542"
-"UMLCN0009","L","Cyclic Ethers","","5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)","CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3","C15H26O3","Kessler (2017)","IQT","0","60.4","53.617264"
-"UMLCN0010","L","Cyclic Ethers","Aromatics","furfuryl alcohol","C1=COC(=C1)CO","C5H6O2","NREL (2014)","IQT","0","10.3","9.084295"
-"UMLCN0011","L","Cyclic Ethers","Olefins","3,4-dihydro-2H-pyran","C1CC=COC1","C5H8O","Marquardt (2015)","IQT","0","23.9","17.840641"
-"UMLCN0012","L","Cyclic Ethers","","eucalyptol","CC1(C2CCC(O1)(CC2)C)C","C10H18O","Marquardt (2015)","IQT","0","18.8","18.675985"
-"UMLCN0013","L","Cyclic Ethers","","2-methyltetrahydrofuran","CC1CCCO1","C5H10O","NREL (2014)","IQT","0","21.3","24.47945"
-"UMLCN0014","L","Cyclic Ethers","Olefins","2,3-dihydrofuran","C1COC=C1","C4H6O","Marquardt (2015)","IQT","0","20","17.531767"
-"UMLCN0015","L","Cyclic Ethers","Aromatics","2-ethylfuran","CCC1=CC=CO1","C6H8O","Marquardt (2015)","IQT","0","10.2","13.381211"
-"UMLCN0016","L","Cyclic Ethers","","tetrahydrofuran","C1CCOC1","C4H8O","Marquardt (2015)","IQT","0","21.9","22.946754"
-"UMLCN0017","L","Alkanes","","7-butyltridecane","CCCCCCC(CCCC)CCCCCC","C17H36 ","NREL (2014)","Unknown","0","36","52.70469"
-"UMLCN0018","L","Cyclic Ethers","Olefins","rose oxide","CC1CCOC(C1)C=C(C)C","C10H18O","NREL (2014)","IQT","0","30","31.716454"
-"UMLCN0019","L","Cyclic Ethers","","2-ethyltetrahydrofuran","CCC1CCCO1","C6H12O","Marquardt (2015)","IQT","0","28.1","29.979897"
-"UMLCN0020","L","Alkanes","","2,7-dimethyl-4,5-diethyloctane","CCC(CC(C)C)C(CC)CC(C)C","C14H30","NREL (2014)","Unknown","0","39","33.724648"
-"UMLCN0021","L","Cyclic Ethers","Aromatics","2-methylfuran","CC1=CC=CO1","C5H6O","NREL (2014)","IQT","0","9","10.720247"
-"UMLCN0022","L","Cycloalkenes","Olefins","bisabolene","CC1=CCC(=C(C)CCC=C(C)C)CC1","C15H24","NREL (2014)","IQT","0","32.2","29.745836"
-"UMLCN0023","L","Cycloalkenes","Olefins","limonene","CC1=CCC(CC1)C(=C)C","C10H16","Marquardt (2015)","IQT","0","18.9","23.431774"
-"UMLCN0024","L","Olefins","Cyclic","beta-pinene","CC1(C2CCC(=C)C1C2)C","C10H16","NREL (2014)","IQT","0","21.3","18.779022"
-"UMLCN0025","L","Cycloalkenes","","alpha-pinene","CC1=CCC2CC1C2(C)C","C10H16","NREL (2014)","IQT","0","23.1","17.155289"
-"UMLCN0026","L","Alcohols","Olefins","beta-citronellol","CC(CCC=C(C)C)CCO","C10H20O","Marquardt (2015)","IQT","0","25.6","25.331509"
-"UMLCN0027","L","Alcohols","Olefins","Linolenyl alcohol ","CCC=CCC=CCC=CCCCCCCCCO","C18H32O","NREL (2014)","Other Ignition Delay Method","0","41","39.916397"
-"UMLCN0028","L","Alcohols","Ethers","3-methoxy-3-methyl-1-butanol","CC(C)(CCO)OC","C6H14O2","Marquardt (2015)","IQT","0","10","15.52523"
-"UMLCN0029","L","Alcohols","","3,7-dimethyl-1-octanol","CC(C)CCCC(C)CCO","C10H22O","Marquardt (2015)","IQT","0","29.3","32.68525"
-"UMLCN0030","L","Alcohols","","methanol","CO","CH4O","NREL (2014)","Unknown","0","5","7.517638"
-"UMLCN0031","L","Cyclic Ethers","Alcohols","tetrahydrofurfuryl alcohol","C1CC(OC1)CO","C5H10O2","Marquardt (2015)","IQT","0","17.9","16.251305"
-"UMLCN0032","L","Alcohols","","isobutanol","CC(C)CO","C4H10O","NREL (2014)","IQT","0","8.5","7.5422964"
-"UMLCN0033","L","Alcohols","","2-nonanol","CCCCCCCC(C)O","C9H20O","NREL (2014)","IQT","0","39.6","31.481583"
-"UMLCN0034","L","Alcohols","","2-butanol","CCC(C)O","C4H10O","NREL (2014)","IQT","0","8.5","8.15114"
-"UMLCN0035","L","Alcohols","Olefins","oleyl alcohol","CCCCCCCCC=CCCCCCCCCO","C18H36O","NREL (2014)","Other Ignition Delay Method","0","51","49.76005"
-"UMLCN0036","L","Alcohols","","pentan-1-ol","CCCCCO","C5H12O","NREL (2014)","CFR","0","18.2","20.396881"
-"UMLCN0037","L","Alcohols","","nonan-1-ol","CCCCCCCCCO","C9H20O","NREL (2014)","CFR","0","45","45.850227"
-"UMLCN0038","L","Alcohols","Olefins","palmitoleyl alcohol","CCCCCCC=CCCCCCCCCO","C16H32O","NREL (2014)","Other Ignition Delay Method","0","46","42.367455"
-"UMLCN0039","L","Alcohols","","1-heptanol","CCCCCCCO","C7H16O","NREL (2014)","IQT","0","29","32.284332"
-"UMLCN0040","L","Alcohols","","1-decanol","CCCCCCCCCCO","C10H22O","NREL (2014)","CFR","0","50","48.32715"
-"UMLCN0041","L","Alcohols","Cyclic","cyclohexanol","C1CCC(CC1)O","C6H12O","Marquardt (2015)","IQT","0","16.3","12.967173"
-"UMLCN0042","L","Alcohols","","hexan-1-ol","CCCCCCO","C6H14O","NREL (2014)","CFR","0","23.3","25.913414"
-"UMLCN0043","L","Alcohols","","tetradecan-1-ol","CCCCCCCCCCCCCCO","C14H30O","NREL (2014)","CFR","0","80.8","75.73685"
-"UMLCN0044","L","Alcohols","Olefins","linoleyl alcohol","CCCCCC=CCC=CCCCCCCCCO","C18H34O","NREL (2014)","Other Ignition Delay Method","0","44","39.582542"
-"UMLCN0045","L","Alcohols","","2-ethyl-1-hexanol","CCCCC(CC)CO","C8H18O","NREL (2014)","IQT","0","23.5","25.350681"
-"UMLCN0046","L","Alcohols","","Isopentanol ","CC(C)CCO","C5H12O","NREL (2014)","IQT","0","13.1","12.608443"
-"UMLCN0047","L","Alcohols","","1-propanol","CCCO","C3H8O","NREL (2014)","Unknown","0","12","10.293444"
-"UMLCN0048","L","Alcohols","","1-butanol","CCCCO","C4H10O","NREL (2014)","IQT","0","12","14.917128"
-"UMLCN0049","L","Alcohols","Olefins","nerolidol","CC(=CCCC(=CCCC(C)(C=C)O)C)C","C15H26O","Marquardt (2015)","IQT","0","19.2","14.861134"
-"UMLCN0050","L","Alcohols","","1-octanol","CCCCCCCCO","C8H18O","NREL (2014)","CFR","0","39.1","39.701496"
-"UMLCN0051","L","Alcohols","","octan-3-ol","CCCCCC(O)CC","C8H18O","NREL (2014)","IQT","0","25","24.535286"
-"UMLCN0052","L","Alcohols","Olefins","linalool","CC(=CCCC(C)(C=C)O)C","C10H18O","NREL (2014)","IQT","0","16.5","13.285593"
-"UMLCN0053","L","Alcohols","","hexadecan-1-ol","CCCCCCCCCCCCCCCCO","C16H34O","NREL (2014)","Other Ignition Delay Method","0","68","72.094635"
-"UMLCN0054","L","Alcohols","","dodecan-1-ol","CCCCCCCCCCCCO","C12H26O","NREL (2014)","CFR","0","63.6","62.78917"
-"UMLCN0055","L","Alcohols","","2-methyl-2-butanol","CCC(C)(C)O","C5H12O","Marquardt (2015)","IQT","0","12.1","8.062065"
-"UMLCN0056","L","Alcohols","","undecan-1-ol","CCCCCCCCCCCO","C11H24O","NREL (2014)","CFR","0","53","53.508224"
-"UMLCN0057","L","Alcohols","Cyclic","cyclopentanol","C1CCC(C1)O","C5H10O","Marquardt (2015)","IQT","0","9.8","13.680314"
-"UMLCN0058","L","Alcohols","Olefins","geraniol","CC(=CCCC(=CCO)C)C","C10H18O","NREL (2014)","IQT","0","19.3","23.292398"
-"UMLCN0059","L","Alcohols","","ethanol","CCO","C2H6O","NREL (2014)","IQT","0","11","6.6103"
-"UMLCN0060","L","Aldehydes","","octanal","CCCCCCCC=O","C8H16O","Marquardt (2015)","IQT","0","102.5","86.50803"
-"UMLCN0061","L","Aldehydes","","hexanal","CCCCCC=O","C6H12O","Marquardt (2015)","IQT","0","75.2","71.14011"
-"UMLCN0062","L","Aldehydes","","pentanal","CCCCC=O","C5H10O","NREL (2014)","IQT","0","65.1","60.403633"
-"UMLCN0063","L","Aldehydes","","butanal","CCCC=O","C4H8O","Marquardt (2015)","IQT","0","41.1","42.785286"
-"UMLCN0064","L","Aldehydes","Cycloalkenes","3-cyclohexene-1-carboxaldehyde","C1CC(CC=C1)C=O","C7H10O","Marquardt (2015)","IQT","0","28.1","17.172108"
-"UMLCN0065","L","Aldehydes","","isobutyraldehyde","CC(C)C=O","C4H8O","Marquardt (2015)","IQT","0","21.1","15.29007"
-"UMLCN0066","L","Aromatics","Ethers","dibenzylether","C1=CC=C(C=C1)COCC2=CC=CC=C2","C14H14O","Marquardt (2015)","IQT","0","8.1","11.239912"
-"UMLCN0067","L","Aromatics","Acetals","benzaldehyde dimethyl acetal","COC(C1=CC=CC=C1)OC","C9H12O2","Marquardt (2015)","IQT","0","10.4","17.704422"
-"UMLCN0068","L","Aromatics","","2,6-dimethylnaphthalene","CC1=CC2=C(C=C1)C=C(C=C2)C","C12H12","NREL (2014)","20% Blend, CFR","0","-7","-3.290666"
-"UMLCN0069","L","Aromatics","","tert-butylbenzene","CC(C)(C)C1=CC=CC=C1","C10H14","Creton (2011)","Unknown","0","-1","8.96419"
-"UMLCN0070","L","Aromatics","Ethers","4-methoxybenzaldehyde","COC1=CC=C(C=C1)C=O","C8H8O2","Marquardt (2015)","IQT","0","25.8","19.372925"
-"UMLCN0071","L","Aromatics","","n-hexylbenzene","CCCCCCC1=CC=CC=C1","C12H18","NREL (2014)","Unknown","0","26","24.853611"
-"UMLCN0072","L","Aromatics","","1-methylnaphthalene","CC1=CC=CC2=CC=CC=C12","C11H10","NREL (2014)","CFR","0","0","-0.6455939"
-"UMLCN0073","L","Aromatics","Olefins","2-phenylundec-2-ene","CC(=CCCCCCCCC)C1=CC=CC=C1","C17H26","Creton (2011)","Unknown","0","23","36.95118"
-"UMLCN0074","L","Aromatics","","2-octylnaphthalene","CCCCCCCCC1=CC2=CC=CC=C2C=C1","C18H24","NREL (2014)","Unknown","0","18","15.114789"
-"UMLCN0075","L","Aromatics","","1,3-xylene","CC1=CC(=CC=C1)C","C8H10","NREL (2014)","IQT","0","7","5.8914785"
-"UMLCN0076","L","Aromatics","","2-methyl-2-phenylheptadecane","CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C24H42","NREL (2014)","Unknown","0","39","38.397778"
-"UMLCN0077","L","Aromatics","","4-isopropyltoluene","CC1=CC=C(C=C1)C(C)C","C10H14","NREL (2014)","20% Blend, CFR","0","4","3.9430828"
-"UMLCN0078","L","Aromatics","","2-tert-butylnaphthalene","CC(C)(C)C1=CC2=CC=CC=C2C=C1","C14H16","NREL (2014)","Unknown","0","3","9.847532"
-"UMLCN0079","L","Aromatics","","n-heptylbenzene","CCCCCCCC1=CC=CC=C1","C13H20","NREL (2014)","Unknown","0","35","33.660625"
-"UMLCN0080","L","Aromatics","Cyclic","n-octyltetralin","CCCCCCCCC1CCCC2=CC=CC=C12","C18H28","NREL (2014)","Unknown","0","18","27.126125"
-"UMLCN0081","L","Aromatics","","1,2-diphenylethane","C1=CC=C(C=C1)CCC2=CC=CC=C2","C14H14","NREL (2014)","CFR","0","1","6.1686296"
-"UMLCN0082","L","Aromatics","","3-ethyl-3-(beta-naphthyl)nonane","C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2","C21H30","NREL (2014)","Unknown","0","13","16.91836"
-"UMLCN0083","L","Aromatics","","sec-butylbenzene","CCC(C)C1=CC=CC=C1","C10H14","NREL (2014)","20% Blend, CFR","0","6","8.417645"
-"UMLCN0084","L","Aromatics","","2-methyl-2-(beta-naphthyl)hexane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C17H22","NREL (2014)","Unknown","0","10","7.0700097"
-"UMLCN0085","L","Aromatics","","2-methyl-2-(beta-naphthyl)decane","C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C21H30","NREL (2014)","Unknown","0","18","13.026671"
-"UMLCN0086","L","Aromatics","","1,3-diethylbenzene","CCC1=CC(=CC=C1)CC","C10H14","NREL (2014)","Blend (Percentage? Method?)","0","5","4.595887"
-"UMLCN0087","L","Aromatics","","1-butylnaphthalene","CCCCC1=CC=CC2=CC=CC=C21","C14H16","NREL (2014)","Unknown","0","6","2.7895257"
-"UMLCN0088","L","Cycloalkanes ","","decalin","C1CCC2CCCCC2C1","C10H18","Heyne (2009)","IQT","0","37.4","27.301191"
-"UMLCN0089","L","Aromatics","Cyclic","tert-butyltetralin","CC(C)(C)C1CCCC2=CC=CC=C12","C14H20","NREL (2014)","Unknown","0","17","11.401142"
-"UMLCN0090","L","Aromatics","","2-phenylundecane","CCCCCCCCCC(C)C1=CC=CC=C1","C17H28","NREL (2014)","Unknown","0","51","40.30029"
-"UMLCN0091","L","Aromatics","","7-phenyltridecane","CCCCCCC(CCCCCC)C1=CC=CC=C1","C19H32","NREL (2014)","Unknown","0","41","38.5032"
-"UMLCN0092","L","Aromatics","","n-butylbenzene","CCCCC1=CC=CC=C1","C10H14","NREL (2014)","IQT","0","12","10.985756"
-"UMLCN0093","L","Aromatics","","4-phenyldodecane","CCCCCCCCC(CCC)C1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","42","40.421627"
-"UMLCN0094","L","Aromatics","Aldehydes","alpha-methyl-trans-cinnamaldehyde","CC(=CC1=CC=CC=C1)C=O","C10H10O","Marquardt (2015)","IQT","0","19.1","18.806644"
-"UMLCN0095","L","Aromatics","","5-methyl-5-(beta-naphthyl)nonane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC","C20H28","NREL (2014)","Unknown","0","12","11.256916"
-"UMLCN0096","L","Aromatics","Cyclic","1-butyltetralin","CCCCC1CCCC2=CC=CC=C12","C14H20","Creton (2011)","Unknown","0","18","13.419756"
-"UMLCN0097","L","Aromatics","","n-nonylbenzene","CCCCCCCCCC1=CC=CC=C1","C15H24","NREL (2014)","Unknown","0","50","51.931793"
-"UMLCN0098","L","Aromatics","","1,2,4-trimethylbenzene ","CC1=CC(C)=C(C)C=C1","C9H12","NREL (2014)","IQT","0","8.9","5.789116"
-"UMLCN0099","L","Aromatics","","2-phenyltetradecane","CCCCCCCCCCCCC(C)C1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","49","40.379253"
-"UMLCN0100","L","Aromatics","Cyclic","tetralin","C1CCC2=CC=CC=C2C1","C10H12","NREL (2014)","IQT","0","8.9","5.681555"
-"UMLCN0101","L","Cycloalkenes","","cyclohexene","C1CCC=CC1","C6H10","Marquardt (2015)","IQT","0","18.1","20.48718"
-"UMLCN0102","L","Aromatics","","isopropylbenzene","CC(C)C1=CC=CC=C1","C9H12","Creton (2011)","Unknown","0","15","18.451523"
-"UMLCN0103","L","Aromatics","","2-phenyloctane","CCCCCCC(C)C1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","33","34.737064"
-"UMLCN0104","L","Aromatics","Cyclic","1,4-dioctyltetralin","C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC","C26H44","Creton (2011)","Unknown","0","26","33.006996"
-"UMLCN0105","L","Aromatics","","1,2-dimethylbenzene","CC1=CC=CC=C1C","C8H10","NREL (2014)","CFR","0","8","6.30484"
-"UMLCN0106","L","Olefins","Cyclic","gamma-terpinene","CC1=CCC(=CC1)C(C)C","C10H16","Marquardt (2015)","IQT","0","20.3","21.033413"
-"UMLCN0107","L","Aromatics","","2-methyl-2-phenylpentadecane","CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C22H38","Creton (2011)","Unknown","0","39","40.082268"
-"UMLCN0108","L","Aromatics","Ethers","1,2-dimethoxybenzene","COC1=CC=CC=C1OC","C8H10O2","Marquardt (2015)","IQT","0","13.4","12.79215"
-"UMLCN0109","L","Aromatics","","diphenylmethane","C1=CC=C(C=C1)CC2=CC=CC=C2","C13H12","NREL (2014)","Unknown","0","11","9.618991"
-"UMLCN0110","L","Aromatics","","n-dodecylbenzene","CCCCCCCCCCCCC1=CC=CC=C1","C18H30","NREL (2014)","Unknown","0","68","61.64101"
-"UMLCN0111","L","Aromatics","","n-tetradecylbenzene","CCCCCCCCCCCCCCC1=CC=CC=C1","C20H34","NREL (2014)","Unknown","0","72","67.59134"
-"UMLCN0112","L","Olefins","Cyclic","1,5-cyclooctadiene","C1CC=CCCC=C1","C8H12","Marquardt (2015)","IQT","0","25.7","22.35719"
-"UMLCN0113","L","Ethers","","Dimethyl ether","COC","C2H6O","NREL (2014)","Unknown","0","67","56.887012"
-"UMLCN0114","L","Esters","Olefins","isopropyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC(C)C","C21H40O2","NREL (2014)","Other Ignition Delay Method","0","86.6","65.9964"
-"UMLCN0115","L","Ethers","","1-methoxyhexane","CCCCCCOC","C7H16O","Marquardt (2015)","IQT","0","99.8","87.08767"
-"UMLCN0116","L","Ethers","","diisoamyl ether","CC(C)CCOCCC(C)C","C10H22O","NREL (2014)","IQT","0","96.2","77.60952"
-"UMLCN0117","L","Esters","Olefins","2-ethylhexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC","C26H50O2","NREL (2014)","Other Ignition Delay Method","0","88","77.33486"
-"UMLCN0118","L","Ethers","Cyclic","cyclopentyl methyl ether","COC1CCCC1","C6H12O","Marquardt (2015)","IQT","0","47.3","35.358124"
-"UMLCN0119","L","Esters","","2-ethylhexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C24H48O2","NREL (2014)","Other Ignition Delay Method","0","98","93.6156"
-"UMLCN0120","L","Esters","","methyl octanoate","CCCCCCCC(=O)OC","C9H18O2","NREL (2014)","CFR","0","33.6","35.000298"
-"UMLCN0121","L","Esters","Olefins","propyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCC","C21H40O2","NREL (2014)","Blend","0","72","73.660065"
-"UMLCN0122","L","Ethers","Alcohols","3-(3-methoxypropoxy)propan-1-ol","COCCCOCCCO","C7H16O3","NREL (2014)","IQT","0","43.9","48.922653"
-"UMLCN0123","L","Ethers","","diisopropyl ether","CC(OC(C)C)C","C6H14O","Marquardt (2015)","IQT","0","23.6","32.16112"
-"UMLCN0124","L","Esters","","methyl decanoate","CCCCCCCCCC(=O)OC","C11H22O2","Marquardt (2015)","IQT","0","52.7","50.961517"
-"UMLCN0125","L","Esters","","propyl stearate ","CCCCCCCCCCCCCCCCCC(=O)OCCC","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","80.5","87.742096"
-"UMLCN0126","L","Esters","","2-butyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)CC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","98","89.45286"
-"UMLCN0127","L","Esters","","isopropyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)C","C21H42O2","NREL (2014)","Other Ignition Delay Method","0","97","85.35959"
-"UMLCN0128","L","Acids","","stearic acid","CCCCCCCCCCCCCCCCCC(=O)O","C18H36O2","NREL (2014)","Other Ignition Delay Method","0","62","52.59278"
-"UMLCN0129","L","Esters","","trimyristin","CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC","C45H86O6","NREL (2014)","Other Ignition Delay Method","0","100","99.934784"
-"UMLCN0130","L","Esters","Olefins","isobutyl oleate ","CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","60","65.36149"
-"UMLCN0131","L","Esters","","butyl myristate","CCCCCCCCCCCCCC(=O)OCCCC","C18H36O2","NREL (2014)","CFR","0","69.4","74.03137"
-"UMLCN0132","L","Esters","","hexyl acetate","CCCCCCOC(=O)C","C8H16O2","NREL (2014)","IQT","0","32.2","31.827042"
-"UMLCN0133","L","Esters","","trilaurin","CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC","C39H74O6","NREL (2014)","Other Ignition Delay Method","0","100","98.84082"
-"UMLCN0134","L","Esters","","methyl hexanoate","CCCCCC(=O)OC","C7H14O2","Marquardt (2015)","IQT","0","25.3","19.800064"
-"UMLCN0135","L","Esters","","methyl valerate","CCCCC(=O)OC","C6H12O","Marquardt (2015)","IQT","0","13.3","17.082817"
-"UMLCN0136","L","Ethers","","diisobutyl ether","CC(C)COCC(C)C","C8H18O","Marquardt (2015)","IQT","0","59.7","54.75501"
-"UMLCN0137","L","Esters","","tributyrin","CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC","C15H26O6","NREL (2004)","Other Ignition Delay Method","0","7","12.608242"
-"UMLCN0138","L","Esters","Olefins","2-butyl oleate","O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC","C22H42O2","NREL (2014)","Other Ignition Delay Method","0","72","68.488464"
-"UMLCN0139","L","Ethers","Alcohols","triethylene glycol monomethyl ether","COCCOCCOCCO","C7H16O4","NREL (2014)","IQT","0","80.7","76.49184"
-"UMLCN0140","L","Ethers","","1,6-dimethoxyhexane","COCCCCCCOC","C8H18O2","NREL (2014)","Blend (Method?)","0","88","98.22687"
-"UMLCN0141","L","Ethers","","1,2-dimethoxyethane","COCCOC","C4H10O2","NREL (2014)","IQT","0","81","77.738335"
-"UMLCN0142","L","Esters","","ethyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC","C16H32O2","NREL (2014)","CFR","0","67","73.10628"
-"UMLCN0143","L","Esters","","butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCCC","C20H40O2","NREL (2014)","Blend (5%-7%)","0","89","82.19459"
-"UMLCN0144","L","Esters","","n-butyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OCCCC","C22H44O2","NREL (2014)","Other Ignition Delay Method","0","86","88.4164"
-"UMLCN0145","L","Esters","Olefins","methyl linolenate","CCC=CCC=CCC=CCCCCCCCC(=O)OC","C19H32O2","NREL (2014)","IQT","0","37","30.6861"
-"UMLCN0146","L","Esters","","ethyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC","C18H36O2","NREL (2014)","Blend","0","80","79.762924"
-"UMLCN0147","L","Ethers","Alcohols","2-methoxyethanol","COCCO","C3H8O2","NREL (2014)","IQT","0","15.5","18.118456"
-"UMLCN0148","L","Esters","","methyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OC","C19H38O2","NREL (2014)","CFR","0","86","85.772354"
-"UMLCN0149","L","Esters","","butyl butanoate","CCCCOC(=O)CCC","C8H16O2","NREL (2014)","IQT","0","18","29.340305"
-"UMLCN0150","L","Esters","","methyl dodecanoate","CCCCCCCCCCCC(=O)OC","C13H26O2","NREL (2014)","IQT","0","66.5","67.285995"
-"UMLCN0151","L","Ethers","","2,2-dimethoxypropane","CC(OC)(OC)C","C5H12O2","Marquardt (2015)","IQT","0","31.3","28.543125"
-"UMLCN0152","L","Esters","","methyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC","C17H34O2","NREL (2014)","IQT","0","85.9","80.290375"
-"UMLCN0153","L","Esters","Olefins","methyl sorbate ","CC=CC=CC(=O)OC","C7H10O2","NREL (2014)","IQT","0","6","13.54093"
-"UMLCN0154","L","Esters","","ethyl decanoate","CCCCCCCCCC(=O)OCC","C12H24O2","NREL (2014)","CFR","0","51","48.50399"
-"UMLCN0155","L","Esters","Olefins","methyl palmitoleate","CCCCCCC=CCCCCCCCC(=O)OC","C17H32O2","NREL (2014)","IQT","0","56.6","63.687576"
-"UMLCN0156","L","Esters","","butyl valerate","CCCCC(=O)OCCCC","C9H18O2","Marquardt (2015)","IQT","0","23.5","31.571823"
-"UMLCN0157","L","Ethers","","acetal","CC(OCC)OCC","C6H14O2","Marquardt (2015)","IQT","0","54.1","63.375866"
-"UMLCN0158","L","Esters","Olefins","vinyl laurate","CCCCCCCCCCCC(=O)OC=C","C14H26O2","Marquardt (2015)","IQT","0","77","68.77379"
-"UMLCN0159","L","Ethers","Alcohols","1-butoxy-2-propanol","CCCCOCC(C)O","C7H16O2","NREL (2014)","IQT","0","36.1","29.777592"
-"UMLCN0160","L","Ethers","","diethylene glycol dimethyl ether","COCCOCCOC","C6H14O3","NREL (2014)","Blend","0","109","100.94537"
-"UMLCN0161","L","Esters","","sec-butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)CC","C20H40O2","Creton (2011)","Unknown","0","84.8","82.74484"
-"UMLCN0162","L","Esters","","butyl decanoate","CCCCCCCCCC(=O)OCCCC","C14H28O2","NREL (2014)","CFR","0","55","53.018326"
-"UMLCN0163","L","Ethers","Olefins","1,4-cyclohexanedimethanol divinyl ether","C=COCC1CCC(CC1)COC=C","C12H20O2","Marquardt (2015)","IQT","0","61.1","61.202103"
-"UMLCN0164","L","Esters","Olefins","methyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OC","C19H36O2","NREL (2014)","CFR","0","56","68.63555"
-"UMLCN0165","L","Ethers","Olefins","dodecyl vinyl ether","C=COCCCCCCCCCCCC","C14H28O","Marquardt (2015)","IQT","0","101.7","102.200005"
-"UMLCN0166","L","Ethers","Alcohols","1-methoxy-2-propanol","CC(COC)O","C4H10O2","Marquardt (2015)","IQT","0","16.3","15.050397"
-"UMLCN0167","L","Esters","","propyl decanoate","CCCCCCCCCC(=O)OCCC","C13H26O2","NREL (2014)","CFR","0","53","54.75534"
-"UMLCN0168","L","Esters","Olefins","propyl linolenate","CCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C21H36O2","NREL (2014)","Other Ignition Delay Method","0","27","29.064407"
-"UMLCN0169","L","Esters","","methyl heptanoate","CCCCCCC(=O)OC","C8H16O2","Marquardt (2015)","IQT","0","34.2","29.069088"
-"UMLCN0170","L","Esters","Olefins","butyl linolenate","CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C22H38O2","NREL (2014)","Other Ignition Delay Method","0","29","30.231548"
-"UMLCN0171","L","Esters","","ethyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC","C20H40O2","NREL (2014)","CFR","0","76.8","85.5231"
-"UMLCN0172","L","Esters","Olefins","ethyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCC","C20H38O2","NREL (2014)","Other Ignition Delay Method","0","61","71.031586"
-"UMLCN0173","L","Acids","Olefins","linolenic acid","CCC=CCC=CCC=CCCCCCCCC(=O)O","C18H30O2","NREL (2014)","Other Ignition Delay Method","0","20","20.988163"
-"UMLCN0174","L","Esters","Olefins","butyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCCC","C22H40O2","NREL (2014)","Other Ignition Delay Method","0","54","51.89502"
-"UMLCN0175","L","Esters","","ethyl valerate","CCCCC(=O)OCC","C7H14O2","Marquardt (2015)","IQT","0","18.6","19.794762"
-"UMLCN0176","L","Esters","","propyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCC","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","85","79.89934"
-"UMLCN0177","L","Esters","","propyl valerate","CCCCC(=O)OCCC","C8H16O","Marquardt (2015)","IQT","0","20.7","26.995369"
-"UMLCN0178","L","Ethers","","2-ethoxyethyl ether","CCOCCOCCOCC","C8H18O3","NREL (2014)","Other Ignition Delay Method","0","123","111.966675"
-"UMLCN0179","L","Esters","Cyclic Ethers","tetrahydrofurfuryl acetate","CC(=O)OCC1CCCO1","C7H12O3","Marquardt (2015)","IQT","0","18.2","21.260666"
-"UMLCN0180","L","Ethers","","1,4-diethoxybutane","CCOCCCCOCC","C8H18O2","NREL (2014)","Blend (Method?)","0","97","94.67174"
-"UMLCN0181","L","Esters","","methyl tetradecanoate","CCCCCCCCCCCCCC(=O)OC","C15H30O2","Marquardt (2015)","IQT","0","75.8","75.99951"
-"UMLCN0182","L","Esters","Ketones","ethyl acetoacetate","CCOC(=O)CC(=O)C","C6H10O3","Marquardt (2015)","IQT","0","13.7","11.706299"
-"UMLCN0183","L","Esters","","isobutyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCC(C)C","C20H40O2","NREL (2014)","Unknown","0","84","80.68021"
-"UMLCN0184","L","Esters","","isopropyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)C","C19H38O2","NREL (2014)","Other Ignition Delay Method","0","83","79.51772"
-"UMLCN0185","L","Esters","","ethyl hexanoate","CCCCCC(=O)OCC","C8H16O2","NREL (2014)","IQT","0","27.8","22.103333"
-"UMLCN0186","L","Ethers","","dibutoxymethane","CCCCOCOCCCC","C9H20O2","NREL (2014)","Unknown","0","74","90.728745"
-"UMLCN0187","L","Acids","Olefins","oleic acid","CCCCCCCCC=CCCCCCCCC(=O)O","C18H34O2","NREL (2014)","Other Ignition Delay Method","0","46","46.933846"
-"UMLCN0188","L","Esters","Olefins","propyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCCC","C21H38O2","NREL (2014)","Other Ignition Delay Method","0","42.5","47.15008"
-"UMLCN0189","L","Esters","Ethers","2-ethoxyethyl acetate","CCOCCOC(C)=O","C6H12O3","NREL (2014)","Blend (20%, method?)","0","40","25.189938"
-"UMLCN0190","L","Esters","Olefins","methyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OC","C19H34O2","NREL (2014)","IQT","0","43.9","40.609665"
-"UMLCN0191","L","Esters","Cyclic","menthyl acetate","CC1CCC(C(C1)OC(=O)C)C(C)C","C12H22O2","Marquardt (2015)","IQT","0","19.5","29.594055"
-"UMLCN0192","L","Ethers","","dibutyl ether","CCCCOCCCC","C8H18O","Marquardt (2015)","IQT","0","115.4","92.76204"
-"UMLCN0193","L","Ethers","Alcohols","Tripropylene glycol monomethyl ether","CC(CO)OCC(C)OCC(C)OC","C10H22O4","NREL (2014)","IQT","0","81.3","78.70499"
-"UMLCN0194","L","Ethers","","diethoxymethane","CCOCOCC","C5H12O2","Marquardt (2015)","IQT","0","57.3","73.32218"
-"UMLCN0195","L","Ethers","Alcohols","2-isopropoxyethanol","CC(C)OCCO","C5H12O2","Marquardt (2015)","IQT","0","27.8","24.18649"
-"UMLCN0196","L","Ethers","Alcohols","dipropylene glycol monomethyl ether","CCC(O)OCCCOC","C7H16O3","Marquardt (2015)","IQT","0","43.9","37.744854"
-"UMLCN0197","L","Ethers","Alcohols","ethylene glycol vinyl ether","C=COCCO","C6H12O3","Marquardt (2015)","IQT","0","14","21.31533"
-"UMLCN0198","L","Ethers","Esters","propylene glycol monomethyl ether acetate","CC(COC)OC(=O)C","C6H12O3","Marquardt (2015)","IQT","0","24","30.020832"
-"UMLCN0199","L","Cyclic Esters","","gamma-undecanolactone","CCCCCCCC1CCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","52.6","52.488094"
-"UMLCN0200","L","Cyclic Esters","","delta-undecalactone","CCCCCCC1CCCC(=O)O1","C11H20O2","Marquardt (2015)","IQT","0","48.6","48.362595"
-"UMLCN0201","L","Cyclic Esters","","epsilon-decalactone","CCCCC1CCCCC(=O)O1","C10H18O2","Marquardt (2015)","IQT","0","40.5","39.097656"
-"UMLCN0202","L","Cyclic Esters","","whiskey lactone","CCCCC1C(CC(=O)O1)C","C9H16O2","Marquardt (2015)","IQT","0","27.2","31.893147"
-"UMLCN0203","L","Ketones","Esters","butyl levulinate","CCCCOC(=O)CCC(=O)C","C9H16O3","NREL (2014)","IQT","0","14.4","8.856401"
-"UMLCN0204","L","Ketones","","3-octanone","CCCCCC(=O)CC","C8H16O","NREL (2014)","IQT","0","36","32.783974"
-"UMLCN0205","L","Ketones","Cyclic","cycloheptanone","C1CCCC(=O)CC1","C7H12O","Marquardt (2015)","IQT","0","22.5","24.349514"
-"UMLCN0206","L","Ketones","","2-nonanone","CCCCCCCC(=O)C","C9H18O","Marquardt (2015)","IQT","0","46.1","51.03279"
-"UMLCN0207","L","Ketones","","4-methyl-2-pentanone","CC(C)CC(=O)C","C6H12O","Marquardt (2015)","IQT","0","12.6","16.859581"
-"UMLCN0208","L","Ketones","","3-pentanone","CCC(=O)CC","C5H10O","NREL (2014)","IQT","0","14.6","14.2124"
-"UMLCN0209","L","Ketones","Cyclic","3,3,5-trimethylcyclohexanone","CC1CC(=O)CC(C1)(C)C","C9H16O","Marquardt (2015)","IQT","0","11.9","10.957508"
-"UMLCN0210","L","Ketones","","2-octanone","CCCCCCC(=O)C","C8H16O","Marquardt (2015)","IQT","0","36.6","37.02472"
-"UMLCN0211","L","Ketones","Cyclic","menthone","CC1CCC(C(=O)C1)C(C)C","C10H18O","Marquardt (2015)","IQT","0","20.6","19.732643"
-"UMLCN0212","L","Ketones","Alcohols","4-hydroxy-4-methyl-2-pentanone","CC(=O)CC(C)(C)O","C6H12O2","Marquardt (2015)","IQT","0","11.5","14.519093"
-"UMLCN0213","L","Ketones","","2,4-dimethyl-3-pentanone","CC(C)C(=O)C(C)C","C7H14O","NREL (2014)","IQT","0","14.4","15.458035"
-"UMLCN0214","L","Ketones","","cyclohexanone","C1CCC(=O)CC1","C6H10O","Marquardt (2015)","IQT","0","10.4","17.445858"
-"UMLCN0215","L","Ketones","","2-heptanone","CCCCCC(C)=O","C7H14O","NREL (2014)","IQT","0","30","28.898912"
-"UMLCN0216","L","Naphthenes","","1-methyl-3-dodecylcyclohexane","CCCCCCCCCCCCC1CCCC(C1)C","C19H38","NREL (2014)","Unknown","0","70","56.59217"
-"UMLCN0217","L","Naphthenes","","cyclohexyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1","C26H52","Creton (2011)","Unknown","0","66","58.158665"
-"UMLCN0218","L","Naphthenes","","methylcyclohexane","CC1CCCCC1","C7H14","Marquardt (2015)","IQT","0","24.4","31.193062"
-"UMLCN0219","L","Naphthenes","","propylcyclohexane","CCCC1CCCCC1","C9H18","Creton (2011)","Unknown","0","52","42.184814"
-"UMLCN0220","L","Naphthenes","","bicyclohexyl","C1CCC(CC1)C1CCCCC1","C12H22","NREL (2014)","Unknown","0","51","44.618824"
-"UMLCN0221","L","Naphthenes","","cyclohexane","C1CCCCC1","C6H12","Marquardt (2015)","IQT","0","20","29.618105"
-"UMLCN0222","L","Naphthenes","","n-butyldecalin","CCCCC1CCCC2C1CCCC2","C14H26","NREL (2014)","Unknown","0","31","36.00199"
-"UMLCN0223","L","Naphthenes","","1,3,5-trimethylcyclohexane","CC1CC(C)CC(C)C1","C9H18","Marquardt (2015)","IQT","0","30.5","29.629284"
-"UMLCN0224","L","Naphthenes","","sec-butyldecalin","CCC(C)C1CCCC2C1CCCC2","C14H26","Creton (2011)","Unknown","0","34","33.20267"
-"UMLCN0225","L","Naphthenes","","2-methyl-2-cyclohexylpentadecane","CCCCCCCCCCCCCC(C)(C)C1CCCCC1","C22H44","Creton (2011)","Unknown","0","45","54.27136"
-"UMLCN0226","L","Naphthenes","","2-methyl-2-decalyldecane","CCCCCCCCC(C)(C)C1CCCC2CCCCC12","C21H40","Creton (2011)","Unknown","0","37","37.77162"
-"UMLCN0227","L","Naphthenes","","1,2,4-trimethylcyclohexane","CC1CCC(C(C1)C)C","C9H18","Marquardt (2015)","IQT","0","24.4","31.659073"
-"UMLCN0228","L","Naphthenes","Aromatics","n-propyltetralin","CCCC1=CC2=C(CCCC2)C=C1","C13H18","NREL (2014)","Unknown","0","8","7.7940855"
-"UMLCN0229","L","Naphthenes","","cyclohexyltetradecane","CCCCCCCCCCCCCCC1CCCCC1","C20H40","Creton (2011)","Unknown","0","57","55.7899"
-"UMLCN0230","L","Naphthenes","","3-cyclohexylhexane","CCCCCCC1CCCCC1","C12H24","NREL (2014)","Unknown","0","36","44.981773"
-"UMLCN0231","L","Naphthenes","","tert-butyldecalin","CC(C)(C)C1CCCC2CCCCC12","C14H26","NREL (2014)","Unknown","0","24","25.322006"
-"UMLCN0232","L","Naphthenes","","n-propyldecalin","CCCC1CCCC2C1CCCC2","C13H24","NREL (2014)","Unknown","0","35","38.612526"
-"UMLCN0233","L","Naphthenes","","n-butylcyclohexane","CCCCC1CCCCC1","C10H20","NREL (2014)","IQT","0","47.8","42.82398"
-"UMLCN0234","L","Olefins","","hept-2-ene","CCCCC=CC","C7H14","NREL (2014)","20% Blend, CFR","0","44","36.08085"
-"UMLCN0235","L","Naphthenes","","ethylcyclohexane","CCC1CCCCC1","C8H16","NREL (2014)","IQT","0","35.8","36.933083"
-"UMLCN0236","L","Olefins","Cyclic","ethenylcyclohexane","C=CC1CCCCC1","C8H14","Creton (2011)","Unknown","0","38","29.325546"
-"UMLCN0237","L","Olefins","","1-decene","CCCCCCCCC=C","C10H20","Marquardt (2015)","IQT","0","49.1","50.5579"
-"UMLCN0238","L","Olefins","","1-hexene","CCCCC=C","C6H12","NREL (2014)","IQT","0","25.8","34.23044"
-"UMLCN0239","L","Olefins","","2,2,6,6,8,8-hexamethyl-4-methylene-nonane","C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H32","Creton (2011)","Unknown","0","5","7.9825974"
-"UMLCN0240","L","Olefins","","1-heptene","CCCCCC=C","C7H14","NREL (2014)","IQT","0","32","38.134514"
-"UMLCN0241","L","Olefins","","1-octene","CCCCCCC=C","C8H16","NREL (2014)","IQT","0","40","42.088364"
-"UMLCN0242","L","Olefins","","1-hexadecene","CCCCCCCCCCCCCCC=C","C16H32","NREL (2014)","IQT","0","75.9","72.04204"
-"UMLCN0243","L","Alkanes","","9-methylheptadecane","CCCCCCCCC(C)CCCCCCCC","C18H38","NREL (2014)","Unknown","0","66","73.21073"
-"UMLCN0244","L","Olefins","","diethylene glycol monomethyl ether","OCCOCCOC","C5H12O3","Marquardt (2015)","IQT","0","38.3","41.99392"
-"UMLCN0245","L","Olefins","","cyclooctane","C1CCCCCCC1","C8H16","NREL (2014)","IQT","0","22.3","25.700272"
-"UMLCN0246","L","Alkanes","","5-butyldodecane","CCCCCCCC(CCCC)CCCC","C16H34","NREL (2014)","Unknown","0","45","50.01617"
-"UMLCN0247","L","Olefins","","1-dodecene","CCCCCCCCCCC=C","C12H24","NREL (2014)","IQT","0","56.8","59.35704"
-"UMLCN0248","L","Olefins","","2-methyl-1,3-butadiene","CC(=C)C=C","C5H8","Marquardt (2015)","IQT","0","13","16.343262"
-"UMLCN0249","L","Olefins","","7,10-dimethyl-8-hexadecene","CCCCCCC(C)C=CC(C)CCCCCC","C18H36","NREL (2014)","Unknown","0","43","40.82006"
-"UMLCN0250","L","Olefins","","2,5-dimethyl-2,4-hexadiene","CC(=CC=C(C)C)C","C8H14","Marquardt (2015)","IQT","0","19.9","29.57904"
-"UMLCN0251","L","Olefins","","1,9-decadiene","C=CCCCCCCC=C","C10H18","Marquardt (2015)","IQT","0","41","37.245064"
-"UMLCN0252","L","Olefins","","1-nonene","CCCCCCCC=C","C9H18","NREL (2014)","Unknown","0","51","46.362732"
-"UMLCN0253","L","Olefins","","7-hexyl-7-pentadecene","CCCCCCCC=C(CCCCCC)CCCCCC","C21H42","NREL (2014)","Unknown","0","47","46.876"
-"UMLCN0254","L","Olefins","","3-octene","CCCCC=CCC","C8H16","Marquardt (2015)","IQT","0","36","31.44267"
-"UMLCN0255","L","Alkanes","","2-methyloctadecane","CCCCCCCCCCCCCCCCC(C)C","C19H40","Marquardt (2015)","IQT","0","104","83.10162"
-"UMLCN0256","L","Alkanes","","2,2-dimethyloctane","CCCCCCC(C)(C)C","C10H22","NREL (2014)","Unknown","0","59","48.743507"
-"UMLCN0257","L","Alkanes","","2,6,10-trimethyldodecane (aka farnesane)","CCC(C)CCCC(C)CCCC(C)C","C15H32","NREL (2014)","IQT","0","58.6","51.84518"
-"UMLCN0258","L","Alkanes","","7,8-dimethyltetradecane","CCCCCCC(C)C(C)CCCCCC","C16H34","NREL (2014)","Unknown","0","40","49.79653"
-"UMLCN0259","L","Alkanes","","3-ethylpentane","CCC(CC)CC","C7H16","Marquardt (2015)","IQT","0","34.1","26.265339"
-"UMLCN0260","L","Alkanes","","n-hexane","CCCCCC","C6H14","NREL (2014)","IQT","0","47.9","52.23076"
-"UMLCN0261","L","Alkanes","","n-heptane","CCCCCCC","C7H16","Marquardt (2015)","IQT","0","52.8","57.18269"
-"UMLCN0262","L","Alkanes","","4,5-diethyloctane","CCCC(CC)C(CC)CCC","C12H26","NREL (2014)","Unknown","0","20","39.2012"
-"UMLCN0263","L","Alkanes","","5-butylnonane","CCCCC(CCCC)CCCC","C13H28","NREL (2014)","Unknown","0","53","45.69724"
-"UMLCN0264","L","Alkanes","","2-methylheptadecane","CCCCCCCCCCCCCCCC(C)C","C18H38","Marquardt (2015)","IQT","0","91","77.00418"
-"UMLCN0265","L","Alkanes","","2,2,4,6,6-pentamethylheptane","CC(CC(C)(C)C)CC(C)(C)C","C12H26","NREL (2014)","Unknown","0","9","14.814976"
-"UMLCN0266","L","Alkanes","","10,13-dimethyldocosane","CCCCCCCCCC(C)CCC(C)CCCCCCCCC","C24H50","Creton (2011)","Unknown","0","56","65.79808"
-"UMLCN0267","L","Alkanes","","2,2,3-trimethylbutane","CC(C)C(C)(C)C","C7H16","NREL (2014)","IQT","0","12.9","14.635355"
-"UMLCN0268","L","Alkanes","","2,2-dimethylbutane","CCC(C)(C)C","C6H14","Marquardt (2015)","IQT","0","24.4","15.118333"
-"UMLCN0269","L","Alkanes","","9,10-dimethyloctadecane","CCCCCCCCC(C)C(C)CCCCCCCC","C20H42","NREL (2014)","Unknown","0","60","56.98431"
-"UMLCN0270","L","Alkanes","","n-octane","CCCCCCCC","C8H18","NREL (2014)","CFR","0","64","61.93254"
-"UMLCN0271","L","Alkanes","","2,6-dimethyloctane","CCC(C)CCCC(C)C","C10H22","Marquardt (2015)","IQT","0","51.7","46.7573"
-"UMLCN0272","L","Alkanes","","2,2,4,4,6,8,8-heptamethylnonane ","CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H34","NREL (2014)","CFR","0","15","11.221507"
-"UMLCN0273","L","Alcohols","","octadecan-1-ol","CCCCCCCCCCCCCCCCCCO","C18H38O","NREL (2014)","Other Ignition Delay Method","0","81","79.801865"
-"UMLCN0274","L","Alkanes","","3-ethyldecane","CCCCCCCC(CC)CC","C12H26","NREL (2014)","Unknown","0","48","47.21012"
-"UMLCN0275","L","Alkanes","","n-heptadecane","CCCCCCCCCCCCCCCCC","C17H36","NREL (2014)","Unknown","0","105","101.531845"
-"UMLCN0276","L","Alkanes","","n-eicosane","CCCCCCCCCCCCCCCCCCCC","C20H42","NREL (2014)","Unknown","0","110","111.528305"
-"UMLCN0277","L","Alkanes","","2-methylpentane","CCCC(C)C","C6H14","NREL (2014)","IQT","0","34.5","29.406643"
-"UMLCN0278","L","Alkanes","","n-tetradecane","CCCCCCCCCCCCCC","C14H30","NREL (2014)","IQT","0","85.1","90.74365"
-"UMLCN0279","L","Alkanes","","n-decane","CCCCCCCCCC","C10H22","Marquardt (2015)","IQT","0","65.5","71.6515"
-"UMLCN0280","L","Alkanes","","2,5-dimethylundecane","CCCCCCC(C)CCC(C)C","C13H28","NREL (2014)","Unknown","0","58","49.62241"
-"UMLCN0281","L","Alkanes","","3-methylheptane","CCCCC(C)CC","C8H18O","Marquardt (2015)","IQT","0","45","46.164917"
-"UMLCN0282","L","Alkanes","","n-nonane","CCCCCCCCC","C9H20","Marquardt (2015)","IQT","0","60.9","66.54043"
-"UMLCN0283","L","Alkanes","","2-methylbutane","CCC(C)C","C5H12","NREL (2014)","IQT","0","24.9","22.196701"
-"UMLCN0284","L","Alkanes","","n-nonadecane","CCCCCCCCCCCCCCCCCCC","C19H40","NREL (2014)","Unknown","0","110","108.17802"
-"UMLCN0285","L","Alkanes","","2-methylhexane","CCCCC(C)C","C7H16","NREL (2014)","IQT","0","43.5","42.028908"
-"UMLCN0286","L","Alkanes","","n-pentane","CCCCC","C5H12 ","NREL (2014)","20% Blend, CFR","0","30","43.804523"
-"UMLCN0287","L","Alkanes","","n-pentadecane","CCCCCCCCCCCCCCC","C15H32","NREL (2014)","Unknown","0","96","96.45682"
-"UMLCN0288","L","Alkanes","","2-methylheptane","CCCCCC(C)C","C8H18","NREL (2014)","IQT","0","49.8","44.952843"
-"UMLCN0289","L","Alkanes","","3-methylpentane","CCC(C)CC","C6H14","NREL (2014)","Unknown","0","30","28.494547"
-"UMLCN0290","L","Alkanes","","4-propyldecane","CCCCCCC(CCC)CCC","C13H28","NREL (2014)","Unknown","0","39","45.64687"
-"UMLCN0291","L","Alkanes","","n-undecane","CCCCCCCCCCC","C11H24","NREL (2014)","20% Blend, CFR","0","81","77.05882"
-"UMLCN0292","L","Alkanes","","n-tridecane","CCCCCCCCCCCCC","C13H28","NREL (2014)","Unknown","0","90","87.130646"
-"UMLCN0293","L","Alkanes","","2,2,4-trimethylpentane","CC(C)CC(C)(C)C","C8H18","NREL (2014)","IQT","0","18","13.654979"
-"UMLCN0294","L","Alkanes","","8-propylpentadecane","CCCCCCCC(CCC)CCCCCCC","C18H38","NREL (2014)","Unknown","0","48","58.670235"
-"UMLCN0295","L","Alkanes","","2,3-dimethylpentane","CCC(C)C(C)C","C7H16","NREL (2014)","IQT","0","22","28.102957"
-"UMLCN0296","L","Alkanes","","n-dodecane","CCCCCCCCCCCC","C12H26","NREL (2014)","IQT","0","72.9","81.886"
-"UMLCN0297","L","Alkanes","","2,4-dimethylpentane","CC(C)CC(C)C","C7H16","NREL (2014)","IQT","0","28.6","24.017525"
-"UMLCN0298","L","Alkanes","","2,2,5-trimethylhexane","CC(C)CCC(C)(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","24","32.15136"
-"UMLCN0299","L","Alkanes","","9,10-dipropyloctadecane","CCCCCCCCC(CCC)C(CCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","47","54.192883"
-"UMLCN0300","L","Alkanes","","n-octadecane","CCCCCCCCCCCCCCCCCC","C18H38","NREL (2014)","Unknown","0","106","104.97587"
-"UMLCN0301","L","Alkanes","","n-hexadecane","CCCCCCCCCCCCCCCC","C16H34","NREL (2014)","CFR","0","100","97.395905"
-"UMLCN0302","L","Alkanes","","5,6-dibutyldecane","CCCCC(CCCC)C(CCCC)CCCC","C18H38","NREL (2014)","Unknown","0","30","38.697468"
-"UMLCN0303","L","Alkanes","","7-hexylpentadecane","CCCCCCCCC(CCCCCC)CCCCCC","C21H44","NREL (2014)","Unknown","0","83","77.98257"
-"UMLCN0304","L","Alkanes","","2,9-dimethyl-5,6-diisopentyldecane","CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C","C22H46","NREL (2014)","Unknown","0","48","37.16565"
-"UMLCN0305","L","Alkanes","","9-heptylheptadecane","CCCCCCCCC(CCCCCCC)CCCCCCCC","C24H50","NREL (2014)","Unknown","0","88","89.603485"
-"UMLCN0306","L","Naphthenes","","methylcyclopentane","CC1CCCC1","C6H12","NREL (2014)","IQT","0","17.2","27.53595"
-"UMLCN0307","L","Naphthenes","","1,3,5-triisopropyl cyclohexane","CC(C)C1CC(CC(C1)C(C)C)C(C)C","C15H30 ","NREL (2014)","IQT","0","25.3","22.105011"
-"UMLCN0308","L","Naphthenes","","2-methyl-3-cyclohexylnonane","CC(C(CCCCCC)C1CCCCC1)C","C16H32","NREL (2014)","Unknown","0","63","49.780033"
-"UMLCN0309","L","Naphthenes","","1,2,4-trimethyl-5-hexadecyl cyclohexane","C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C","C25H50","NREL (2014)","Unknown","0","42","44.05149"
-"UMLCN0310","L","Cycloalkenes","","4-methyl-1-cyclohexene","CC1CCC=CC1","C7H12","Kubic (2016)","Unknown","0","28","19.593872"
-"UMLCN0311","L","Alkynes","","1-heptyne","CCCCCC#C","C7H12","NREL (2014)","IQT","0","22","40.77861"
-"UMLCN0312","L","Cycloalkenes","Olefins","4-vinyl-1-cyclohexene","C=CC1CCC=CC1","C8H12","Santana (2006)","Unknown","0","32","25.281796"
-"UMLCN0313","L","Olefins","","2,4,4-trimethyl-1-pentene","CC(=C)CC(C)(C)C","C8H16","NREL (2014)","IQT","0","8.8","11.658133"
-"UMLCN0314","L","Olefins","","2-octene","CCCCCC=CC","C8H16","NREL (2014)","20% Blend, CFR","0","43","39.910423"
-"UMLCN0315","L","Olefins","","2,6-dimethylheptane","CC(C)CCCC(C)C","C9H20","NREL (2014)","20% Blend, CFR","0","51","45.2058"
-"UMLCN0316","L","Olefins","","1-undecene","CCCCCCCCCC=C","C11H22","NREL (2014)","Unknown","0","65.5","53.784004"
-"UMLCN0317","L","Olefins","","1-tetradecene","CCCCCCCCCCCCC=C","C14H28","NREL (2014)","Unknown","0","80.9","69.39731"
-"UMLCN0318","L","Olefins","","2,6,7-trimethyl-2,6-tridecadiene","CCCCCCC(=C(C)CCC=C(C)C)C","C16H30","NREL (2014)","Unknown","0","24","40.27424"
-"UMLCN0319","L","Olefins","","4-butyl-4-dodecene","CCCC(CCCC)=CCCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","40.544823"
-"UMLCN0320","L","Olefins","","5-butyl-4-dodecene","CCCC=C(CCCC)CCCCCCC","C16H32 ","NREL (2014)","Unknown","0","45","39.990112"
-"UMLCN0321","L","Olefins","","3,12-diethyl-3,11-tetradecadiene","C(C(CC)=CCCCCCCC=C(CC)CC)C","C18H34","NREL (2014)","Unknown","0","26","40.802383"
-"UMLCN0322","L","Olefins","","1-octadecene","CCCCCCCCCCCCCCCCC=C","C18H36","NREL (2014)","Unknown","0","90","82.571686"
-"UMLCN0323","L","Olefins","","9-methyl-9-heptadecene","CCCCCCCCC(C)=CCCCCCCC","C18H36","NREL (2014)","Unknown","0","66","46.65525"
-"UMLCN0324","L","Olefins","","8-propyl-8-pentadecene","CCCCCCCC(CCC)=CCCCCCC","C18H36","NREL (2014)","Unknown","0","45","40.389503"
-"UMLCN0325","L","Olefins","","10,13-dimethyl-11-doeicosene","CCCCCCCCCC(C)C=CC(C)CCCCCCCCC","C24H48","NREL (2014)","Unknown","0","56","48.185555"
-"UMLCN0326","L","Aromatics","","benzene","C1=CC=CC=C1","C6H6","NREL (2014)","CFR","0","14.3","10.99956"
-"UMLCN0327","L","Aromatics","","toluene","CC1=CC=CC=C1","C7H8","NREL (2014)","IQT","0","6","6.6798453"
-"UMLCN0328","L","Aromatics","","ethyl benzene","CCC1=CC=CC=C1","C8H10","NREL (2014)","IQT","0","6.3","7.4393463"
-"UMLCN0329","L","Aromatics","","1,4-dimethylbenzene","CC1=CC=C(C=C1)C","C8H10","NREL (2014)","IQT","0","6.2","5.676445"
-"UMLCN0330","V","Aromatics","","1,3,5-trimethylbenzene","CC1=CC(=CC(=C1)C)C","C9H12","NREL (2014)","80% Blend, IQT","0","8","5.4366713"
-"UMLCN0331","V","Aromatics","","n-propylbenzene","CCCC1=CC=CC=C1","C9H12","NREL (2014)","80% Blend, IQT","0","16","10.262395"
-"UMLCN0332","V","Aromatics","","1,2,4,5-tetramethylbenzene","CC1=C(C(=C(C=C1)C)C)C","C10H14","NREL (2014)","20% Blend, CFR","0","1","3.332549"
-"UMLCN0333","V","Aromatics","","naphthalene","C1=CC=C2C=CC=CC2=C1","C10H8O","NREL (2014)","5%–7% Blend, CFR","0","22","2.510959"
-"UMLCN0334","V","Aromatics","","2-methylnaphthalene","CC1=CC2=CC=CC=C2C=C1","C11H10","NREL (2014)","20% Blend, CFR","0","6","-1.1843197"
-"UMLCN0335","V","Aromatics","","n-pentylbenzene","CCCCCC1=CC=CC=C1","C11H16","NREL (2014)","Blend","0","18","16.554306"
-"UMLCN0336","V","Aromatics","","biphenyl","C1=CC=C(C=C1)C2=CC=CC=C2","C12H10","NREL (2014)","5%–7% Blend, CFR","0","12","8.345749"
-"UMLCN0337","V","Aromatics","","m-diisopropylbenzene","CC(C)C1=CC(=CC=C1)C(C)C","C12H18","NREL (2014)","CFR","0","-3","21.238712"
-"UMLCN0338","V","Aromatics","","n-octylbenzene","CCCCCCCCC1=CC=CC=C1","C14H22","NREL (2014)","Unknown","0","37.5","43.634438"
-"UMLCN0339","V","Aromatics","","1,3,5-triisopropylbenzene","CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C","C15H24","NREL (2014)","Blend, IQT","0","2.8","13.284406"
-"UMLCN0340","V","Aromatics","","4-methyl-4-(2-naphthyl)heptane","C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC","C18H24","NREL (2014)","Unknown","0","9","12.690582"
-"UMLCN0341","V","Aromatics","","2-methyl-4-isobutyl-4-phenylundecane","CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C","C22H38 ","NREL (2014)","Unknown","0","18","29.118065"
-"UMLCN0342","V","Aromatics","","5-butyl-5-phenyltetradecane","C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC","C24H42","NREL (2014)","Unknown","0","58","42.1174"
-"UMLCN0343","V","Aromatics","","1,2,4-trimethyl-5-hexadecyl benzene","C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C","C25H44","NREL (2014)","Unknown","0","42","58.912334"
-"UMLCN0344","V","Aromatics","","5-phenyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1","C26H46","NREL (2014)","Unknown","0","39","41.455467"
-"UMLCN0345","V","Alcohols","","tert-butanol","CC(C)(C)O","C4H10O","NREL (2014)","Blend, IQT","0","5.6","4.5771546"
-"UMLCN0346","V","Ethers","","dimethoxymethane","COCOC","C3H8O2","NREL (2014)","Blend","0","49","48.455147"
-"UMLCN0347","V","Ethers","","diethyl ether","CCOCC","C4H10O","NREL (2014)","Other Ignition Delay Method","0","160","68.766556"
-"UMLCN0348","V","Ethers","Alcohols","2-butoxyethanol","CCCCOCCO","C6H14O2","NREL (2014)","Blend appx. 20% (Method?)","0","41","35.182465"
-"UMLCN0349","V","Esters","","2-ethylhexyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","116","103.474045"
-"UMLCN0350","V","Alkanes","","7,8-diethyltetradecane","CCCCCCC(CC)C(CC)CCCCCC","C18H38","BioCompoundML (2016)","Unknown","0","67","44.047913"
-"UMLCN0351","V","Esters","","butyl laurate","CCCCCCCCCCCC(=O)OCCCC","C16H32O2","NREL (2014)","Blend","0","73","67.205826"
-"UMLCN0352","V","Esters","","butyl octanoate","CCCCCCCC(=O)OCCCC","C12H24O2","BioCompoundML (2016)","Unknown","0","39.6","41.70606"
-"UMLCN0353","V","Esters","Olefins","butyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCC","C22H42O2","NREL (2014)","Blend","0","102","75.827194"
-"UMLCN0354","V","Naphthenes","","cyclopentane","C1CCCC1","C5H10","BioCompoundML (2016)","Unknown","0","6.1","26.780926"
-"UMLCN0355","V","Acids","","decanoic acid","CCCCCCCCCC(=O)O","C10H20O2","BioCompoundML (2016)","Unknown","0","48","36.35729"
-"UMLCN0356","V","Esters","","decyl acetate","CCCCCCCCCCOC(=O)C","C12H24O2","BioCompoundML (2016)","Unknown","0","62","61.641296"
-"UMLCN0357","V","Esters","","decyl caprate","CCCCCCCCCCOC(=O)CCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","81","75.928696"
-"UMLCN0358","V","Esters","","decyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","84","84.64336"
-"UMLCN0359","V","Esters","","decyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","72","92.04873"
-"UMLCN0360","V","Esters","Olefins","decyl oleate","CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC","C28H54O2","BioCompoundML (2016)","Unknown","0","134","103.186295"
-"UMLCN0361","V","Esters","","decyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","91","102.52229"
-"UMLCN0362","V","Esters","","decyl valerate","CCCCCCCCCCOC(=O)CCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","61","64.01833"
-"UMLCN0363","V","Esters","","dibutyl adipate","CCCCOC(=O)CCCCC(=O)OCCCC","C14H26O4","NREL (2014)","Blend","0","81","24.945143"
-"UMLCN0364","V","Esters","","dibutyl azelate","CCCCOC(=O)CCCCCCCC(=O)OCCCC","C17H32O4","BioCompoundML (2016)","Unknown","0","83","46.824745"
-"UMLCN0365","V","Esters","","dibutyl malonate","CCCCOC(=O)CC(=O)OCCCC","C11H20O4","NREL (2014)","CFR","0","21","21.732748"
-"UMLCN0366","V","Aromatics","Esters","dibutyl phthalate","CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","C16H22O4","BioCompoundML (2016)","Unknown","0","38","27.93681"
-"UMLCN0367","V","Esters","","dibutyl succinate","CCCCOC(=O)CCC(=O)OCCCC","C12H22O4","Jenkins (2013)","CFR","0","21","15.406668"
-"UMLCN0368","V","Esters","","diethyl adipate","CCOC(=O)CCCCC(=O)OCC","C10H18O4","BioCompoundML (2016)","Unknown","0","15","12.021835"
-"UMLCN0369","V","Esters","","diethyl azelate","CCOC(=O)CCCCCCCC(=O)OCC","C13H24O4","BioCompoundML (2016)","Unknown","0","47","17.497746"
-"UMLCN0370","V","Esters","","diethyl butanedioate","CCOC(=O)CCC(=O)OCC","C8H14O4","NREL (2014)","CFR","0","21","8.864302"
-"UMLCN0371","V","Esters","","diethyl oxalate","CCOC(=O)C(=O)OCC","C6H10O4","BioCompoundML (2016)","Unknown","0","21","16.390633"
-"UMLCN0372","V","Esters","","diethyl sebacate","CCOC(=O)CCCCCCCCC(=O)OCC","C14H26O4","BioCompoundML (2016)","Unknown","0","47","24.05823"
-"UMLCN0373","V","Esters","","dihexyl azelate","CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC","C21H40O4","BioCompoundML (2016)","Unknown","0","99","66.13967"
-"UMLCN0374","V","Aromatics","Esters","dihexyl phthalate","CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC","C20H30O4","BioCompoundML (2016)","Unknown","0","48","27.14677"
-"UMLCN0375","V","Esters","","dimethyl adipate","COC(=O)CCCCC(=O)OC","C8H14O4","BioCompoundML (2016)","Unknown","0","5","9.041165"
-"UMLCN0376","V","Esters","","dimethyl azelate","COC(=O)CCCCCCCC(=O)OC","C11H20O4","BioCompoundML (2016)","Unknown","0","24","15.63648"
-"UMLCN0377","V","Esters","","dimethyl malonate","COC(=O)CC(=O)OC","C5H8O4","BioCompoundML (2016)","Unknown","0","15","9.118098"
-"UMLCN0378","V","Aromatics","Esters","dimethyl phthalate","COC(=O)C1=CC=CC=C1C(=O)OC","C10H10O4","BioCompoundML (2016)","Unknown","0","19","28.006622"
-"UMLCN0379","V","Esters","","dioctyl adipate","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","C22H42O4","BioCompoundML (2016)","Unknown","0","89","68.56358"
-"UMLCN0380","V","Esters","","dioctyl sebacate","CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC","C26H50O4","BioCompoundML (2016)","Unknown","0","70","96.03818"
-"UMLCN0381","V","Ethers","","dipentyl ether","CCCCCOCCCCC","C10H22O","NREL (2014)","IQT","0","111","100.77784"
-"UMLCN0382","V","Esters","","dodecyl acetate","CCCCCCCCCCCCOC(=O)C","C14H28O2","BioCompoundML (2016)","Unknown","0","77","72.19245"
-"UMLCN0383","V","Esters","","dodecyl laurate","CCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C24H48O2","BioCompoundML (2016)","Unknown","0","85","91.99762"
-"UMLCN0384","V","Esters","","dodecyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC","C26H52O2","BioCompoundML (2016)","Unknown","0","74","102.6631"
-"UMLCN0385","V","Esters","","dodecyl valerate","CCCCCCCCCCCCOC(=O)CCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","67","71.66794"
-"UMLCN0386","V","Esters","","ethyl laurate","CCCCCCCCCCCC(=O)OCC","C14H28O2","BioCompoundML (2016)","Unknown","0","73","64.3812"
-"UMLCN0387","V","Esters","Ketones","ethyl levulinate","CCOC(=O)CCC(=O)C","C7H12O3","NREL (2014)","IQT","0","6","2.056341"
-"UMLCN0388","V","Esters","Olefins","ethyl linoleate","CCCCCC=CCC=CCCCCCCCC(=O)OCC","C20H36O2","BioCompoundML (2016)","Unknown","0","44.4","44.835247"
-"UMLCN0389","V","Esters","Olefins","ethyl linolenate","CCC=CCC=CCC=CCCCCCCCC(=O)OCC","C20H34O2","BioCompoundML (2016)","Unknown","0","27","28.982252"
-"UMLCN0390","V","Esters","","glycerol triacetate","CC(=O)OCC(COC(=O)C)OC(=O)C","C9H14O6","BioCompoundML (2016)","Unknown","0","5","16.556986"
-"UMLCN0391","V","Esters","","hexadecyl acetate","CCCCCCCCCCCCCCCCOC(=O)C","C18H36O2","BioCompoundML (2016)","Unknown","0","86","83.383575"
-"UMLCN0392","V","Esters","","hexadecyl laurate","CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C28H56O2","BioCompoundML (2016)","Unknown","0","88","111.365295"
-"UMLCN0393","V","Esters","","hexyl decanoate ","CCCCCCCCCC(=O)OCCCCCC","C16H32O2","BioCompoundML (2016)","Unknown","0","64","63.577084"
-"UMLCN0394","V","Esters","","hexyl laurate","CCCCCCCCCCCC(=O)OCCCCCC","C18H36O2","BioCompoundML (2016)","Unknown","0","74","70.533615"
-"UMLCN0395","V","Esters","","hexyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","72","77.74028"
-"UMLCN0396","V","Esters","Olefins","hexyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC","C24H46O2","BioCompoundML (2016)","Unknown","0","102","85.297035"
-"UMLCN0397","V","Esters","","hexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","87","85.49568"
-"UMLCN0398","V","Esters","","isobutyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(C)C","C22H44O2","BioCompoundML (2016)","Unknown","0","99","89.60604"
-"UMLCN0399","V","Esters","","isopropyl decanoate","CCCCCCCCCC(=O)OC(C)C","C13H26O2","BioCompoundML (2016)","Unknown","0","46.6","54.915985"
-"UMLCN0400","V","Acids","Olefins","linoleic acid","CCCCCC=CCC=CCCCCCCCC(=O)O","C18H32O2","BioCompoundML (2016)","Unknown","0","31","27.062134"
-"UMLCN0401","V","Esters","Olefins","methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate","CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC","C23H34O2","NREL (2014)","IQT","0","24.4","81.12884"
-"UMLCN0402","V","Esters","","methyl arachidate","CCCCCCCCCCCCCCCCCCCC(=O)OC","C21H42O2","BioCompoundML (2016)","Unknown","0","100","92.71661"
-"UMLCN0403","V","Esters","","methyl butanoate","CCCC(=O)OC","C5H10O2","BioCompoundML (2016)","Unknown","0","6.4","14.785713"
-"UMLCN0404","V","Esters","Olefins","methyl erucate","CCCCCCCCC=CCCCCCCCCCCCC(=O)OC","C23H44O2","BioCompoundML (2016)","Unknown","0","74.2","86.6899"
-"UMLCN0405","V","Esters","Olefins","methyl gamma-linolenate","CCCCCC=CCC=CCC=CCCCCC(=O)OC","C19H32O2","BioCompoundML (2016)","Unknown","0","29.2","30.651268"
-"UMLCN0406","V","Esters","Olefins","methyl gondoate","CCCCCCCCC=CCCCCCCCCCC(=O)OC","C21H40O2","BioCompoundML (2016)","Unknown","0","73.2","77.59757"
-"UMLCN0407","V","Esters","Olefins","methyl petroselinate","CCCCCCCCCCCC=CCCCCC(=O)OC","C19H36O2","BioCompoundML (2016)","Unknown","0","58.6","68.59781"
-"UMLCN0408","V","Esters","Olefins","methyl ricinoleate","CCCCCCC(CC=CCCCCCCCC(=O)OC)O","C19H36O3","NREL (2014)","IQT","0","37.4","67.68607"
-"UMLCN0409","V","Esters","Olefins","methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate","CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC","C21H34O2","BioCompoundML (2016)","Unknown","0","29.6","32.120502"
-"UMLCN0410","V","Esters","Olefins","methyl-9-decenoate","COC(=O)CCCCCCCC=C","C11H20O2","BioCompoundML (2016)","Unknown","0","38.3","65.10428"
-"UMLCN0411","V","Esters","","octadecyl acetate","CCCCCCCCCCCCCCCCCCOC(=O)C","C20H40O2","BioCompoundML (2016)","Unknown","0","90","89.11731"
-"UMLCN0412","V","Esters","","octyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCC","C20H40O2","BioCompoundML (2016)","Unknown","0","84","75.52174"
-"UMLCN0413","V","Esters","","octyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCC","C22H44O2","BioCompoundML (2016)","Unknown","0","71","84.68614"
-"UMLCN0414","V","Esters","Olefins","octyl oleate","CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC","C26H50O2","NREL (2014)","Blend","0","131","94.55811"
-"UMLCN0415","V","Esters","","octyl valerate","CCCCCCCCOC(=O)CCCC","C13H26O2","BioCompoundML (2016)","Unknown","0","49","50.390232"
-"UMLCN0416","V","Esters","","pentyl pentanoate","CCCCCOC(=O)CCCC","C10H20O2","BioCompoundML (2016)","Unknown","0","28.2","34.21882"
-"UMLCN0417","V","Naphthenes","","Perhydro-phenanthrene","C1CCC2C(C1)CCC3C2CCCC3","C14H24","BioCompoundML (2016)","Unknown","0","38.8","30.365496"
-"UMLCN0418","V","Esters","","propyl laurate","CCCCCCCCCCCC(=O)OCCC","C15H30O2","BioCompoundML (2016)","Unknown","0","71","67.541176"
-"UMLCN0419","V","Esters","","propyl myristate","CCCCCCCCCCCCCC(=O)OCCC","C17H34O2","BioCompoundML (2016)","Unknown","0","71","75.01115"
-"UMLCN0420","V","Esters","","tetradecyl acetate","CCCCCCCCCCCCCCOC(=O)C","C16H32O2","BioCompoundML (2016)","Unknown","0","81","78.635376"
-"UMLCN0421","V","Ethers","","triethyleneglycol dimethyl ether","COCCOCCOCCOC","C8H18O4","BioCompoundML (2016)","Unknown","0","120","117.377335"
-"UMLCN0422","V","Cyclic Ethers","Aromatics","furan","C1=COC=C1","C4H4O","NREL (2014)","IQT","0","7","20.103529"
-"UMLCN0423","V","Alkanes","","2,3,4-trimethylpentane","CC(C)C(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","14","25.068237"
-"UMLCN0424","V","Naphthenes","","1,1,2,4-tetramethylcyclopentane","CC1CC(C(C1)(C)C)C","C9H18","Kubic (2016)","Unknown","0","34.2","22.440386"
-"UMLCN0425","V","Naphthenes","","1,1,2-Trimethylcyclohexane","CC1CCCCC1(C)C","C9H18","Kubic (2016)","Unknown","0","29","26.766994"
-"UMLCN0426","V","Alkanes","","2,3,3-Trimethylpentane","CCC(C)(C)C(C)C","C8H18","Kubic (2016)","Unknown","0","17","21.206127"
-"UMLCN0427","V","Alkanes","","2,2,3-Trimethylpentane","CCC(C)C(C)(C)C","C8H18","Kubic (2016)","Unknown","0","14","20.597439"
-"UMLCN0428","V","Alkanes","","3,4-Dimethylhexane","CCC(C)C(C)CC","C8H18","Kubic (2016)","Unknown","0","20","40.796432"
-"UMLCN0429","V","Alkanes","","2,4-Dimethylhexane","CCC(C)CC(C)C","C8H18","Kubic (2016)","Unknown","0","29","37.849953"
-"UMLCN0430","V","Alkanes","","3,3-Diethylpentane","CCC(CC)(CC)CC","C9H20","Kubic (2016)","Unknown","0","17","15.765637"
-"UMLCN0431","V","Alkanes","","2-Methyl-3-ethylpentane","CCC(CC)C(C)C","C8H18","Kubic (2016)","Unknown","0","12","19.767181"
-"UMLCN0432","V","Alkanes","","n-butane","CCCC","C4H10","NREL (2014)","IQT","0","20.6","37.03222"
-"UMLCN0433","V","Alkanes","","2,2-Dimethylpentane","CCCC(C)(C)C","C7H16","Kubic (2016)","Unknown","0","30","21.198711"
-"UMLCN0434","V","Alkanes","","3-methylhexane","CCCC(C)CC","C7H16","NREL (2014)","IQT","0","42","40.53398"
-"UMLCN0435","V","Naphthenes","","n-Propylcyclopentane","CCCC1CCCC1","C8H16","Kubic (2016)","Unknown","0","37","38.157074"
-"UMLCN0436","V","Alkanes","","2,2-Dimethylhexane","CCCCC(C)(C)C","C8H18","Kubic (2016)","Unknown","0","40","34.324505"
-"UMLCN0437","V","Alkanes","","2,2-Dimethylheptane","CCCCCC(C)(C)C","C9H20","Kubic (2016)","Unknown","0","49","41.527954"
-"UMLCN0438","V","Alkanes","","2-Methyloctane","CCCCCCC(C)C","C9H20","Kubic (2016)","Unknown","0","39","45.98102"
-"UMLCN0439","V","Esters","","dioctyl sebacate ","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Kubic (2016)","Unknown","0","70","85.3168"
-"UMLCN0440","V","Aromatics","Ethers","anisole","COC1=CC=CC=C1","C7H8O","NREL (2014)","IQT","0","6","8.348784"
-"UMLCN0441","V","Aromatics","Ethers","4-methylanisole","CC1=CC=C(C=C1)OC","C8H10O","NREL (2014)","IQT","0","7.4","5.5744333"
-"UMLCN0442","V","Aromatics","Ethers","guaiacol","COC1=CC=CC=C1O","C7H8O2","NREL (2014)","IQT","0","19.3","9.466352"
-"UMLCN0443","V","Aromatics","Ethers","4-propylanisole","CCCC1=CC=C(C=C1)OC","C10H14O","NREL (2014)","IQT","0","7.5","10.817385"
-"UMLCN0444","V","Aromatics","Alcohols","2-phenylethanol","C1=CC=C(C=C1)CCO","C8H10O","NREL (2014)","IQT","0","8","8.381626"
-"UMLCN0445","V","Aromatics","Ethers","4-methylguaiacol","CC1=CC(=C(C=C1)O)OC","C8H10O2","NREL (2014)","IQT","0","19.8","8.283492"
-"UMLCN0446","V","Aromatics","Phenols","4-propylphenol","CCCC1=CC=C(C=C1)O","C9H12O","NREL (2014)","IQT","0","8.6","7.678115"
-"UMLCN0447","V","Aromatics","Ethers","4-ethylguaiacol","CCC1=CC(=C(C=C1)O)OC","C9H12O2","NREL (2014)","IQT","0","19.6","12.283103"
diff --git a/tests/use_project_tool/cn_model_v2.0.csv b/tests/use_project_tool/cn_model_v2.0.csv
deleted file mode 100644
index 2d1831a..0000000
--- a/tests/use_project_tool/cn_model_v2.0.csv
+++ /dev/null
@@ -1,484 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","TARGET","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT"
-"DATAID","ASSIGNMENT","Compound Name","SMILES","Formula","Compound Group","CG2","Source","Method","Target","RotBFrac","AVP-5","GATS2m","GATS2c","GATS2e","AATSC1e","RDF140p","SIC1","AVP-6","SssCH2","DPSA-1","ATSC2c","ATSC1e","CIC4","ALogP"
-"UMLCN0001","L","5,5'-(furan-2-ylmethylene)bis(2-methylfuran)","CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C","C15H14O3","Cyclic Ethers","Aromatics","Kessler (2017)","IQT","25.5","0.15","0.023094734","0.749182856","1.088925266","1.042714112","-0.001403555","0","0.542642051","0.012027686","0","273.5990053","-0.006133895","-0.047720875","1.242951172","0.4342"
-"UMLCN0002","L","2-butylfuran","CCCCC1=CC=CO1","C8H12O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","13.1","0.333333333","0.051563982","1.058325703","1.08079502","1.0323547","0.00193542","0","0.595785432","0.032992149","3.553287037","213.0899345","-0.013876778","0.04064381","0.5121375","-0.4554"
-"UMLCN0003","L","tetrahydropyran","C1CCOCC1","C5H10O","Cyclic Ethers","","Marquardt (2015)","IQT","38.2","0","0.072168784","1.324694594","1.552120506","1.526247757","0.002241625","0","0.375403618","0","5.930555556","245.7792124","-0.066109633","0.035866","1.375","-0.9949"
-"UMLCN0004","L","2,5-dimethylfuran","CC1=CC=C(O1)C","C6H8O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","10.9","0","0.043883219","0.694659989","0.865161225","0.982735077","0.00130752","0","0.598832295","0","0","148.7752988","0.051511859","0.0196128","1.567318334","0.7669"
-"UMLCN0005","L","2,5-dihydrofuran","C1C=CCO1","C4H6O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","15.6","0","0","1.273363011","1.587483485","1.728558568","1.20E-04","0","0.632099312","0","1.638888889","181.6487116","-0.055854795","0.001320727","1.272727273","0.3369"
-"UMLCN0006","L","tris(5-methylfuran-2-yl)methane","CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C","C16H16O3","Cyclic Ethers","Aromatics","Kessler (2017)","IQT","22.3","0.142857143","0.023653295","0.687395433","1.029799064","0.990306877","-5.44E-04","0","0.50280781","0.012187136","0","289.825814","0.0404777","-0.020125061","1.901955001","0.9479"
-"UMLCN0007","L","2-butyltetrahydrofuran","CCCCC1CCCO1","C8H16O","Cyclic Ethers","","Marquardt (2015)","IQT","45.5","0.333333333","0.083437163","1.271257744","1.483546111","1.437269713","0.002260557","0","0.348734006","0.059692737","7.531536281","292.5682117","-0.041301136","0.05651392","0.864385619","-1.5816"
-"UMLCN0008","L","tris(5-methyltetrahydrofuran-2-yl)methane","CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3","C16H28O3","Cyclic Ethers","","Kessler (2017)","IQT","59.8","0.142857143","0.046983972","1.086386881","1.371483195","1.340923587","0.001924889","0","0.329152474","0.027393797","7.083419785","422.8610873","-0.028514487","0.09431958","2.076339894","-2.6449"
-"UMLCN0009","L","5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)","CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3","C15H26O3","Cyclic Ethers","","Kessler (2017)","IQT","60.4","0.15","0.046823936","1.118207621","1.398171129","1.365483934","0.001759483","0","0.350224835","0.027916915","8.052346466","403.9460407","-0.066781907","0.080936198","1.49487358","-2.6342"
-"UMLCN0010","L","furfuryl alcohol","C1=COC(=C1)CO","C5H6O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","10.3","0.142857143","0.02687529","1.025728882","1.071100847","1.191509867","-0.020341349","0","0.818007335","0.0124226","-0.006944444","195.8050308","-0.086918529","-0.264437538","0.153846154","-0.635"
-"UMLCN0011","L","3,4-dihydro-2H-pyran","C1CC=COC1","C5H8O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","23.9","0","0.048112522","1.234922033","1.358830192","1.379366594","0.00150098","0","0.671504695","0","3.298611111","234.416129","-0.047153135","0.021013714","0.428571429","-0.2281"
-"UMLCN0012","L","eucalyptol","CC1(C2CCC(O1)(CC2)C)C","C10H18O","Cyclic Ethers","","Marquardt (2015)","IQT","18.8","0","0.051460037","0.892329825","1.125649192","1.138033029","0.002083129","0","0.362488544","0.037895625","5.314675926","297.9505862","0.083666717","0.062493869","1.837386638","1.3109"
-"UMLCN0013","L","2-methyltetrahydrofuran","CC1CCCO1","C5H10O","Cyclic Ethers","","NREL (2014)","IQT","21.3","0","0.083333333","1.172310048","1.442604439","1.449910164","0.002241625","0","0.449698735","0","3.516203704","220.6304687","-0.022763373","0.035866","0.672180469","-0.7176"
-"UMLCN0014","L","2,3-dihydrofuran","C1COC=C1","C4H6O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","20","0","0","1.203861086","1.388522782","1.428001041","1.20E-04","0","0.737213794","0","1.986111111","178.6732471","-0.049822786","0.001320727","0.363636364","-0.4837"
-"UMLCN0015","L","2-ethylfuran","CCC1=CC=CO1","C6H8O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","10.2","0.142857143","0.042927365","0.940495494","1.075125406","1.080260875","0.00130752","0","0.686630113","0.027777778","0.993055556","171.1708702","-0.006689496","0.0196128","0.450325833","-0.423"
-"UMLCN0016","L","tetrahydrofuran","C1CCOC1","C4H8O","Cyclic Ethers","","Marquardt (2015)","IQT","21.9","0","0","1.296573014","1.533771392","1.537371059","0.001740781","0","0.41794859","0","4.555555556","231.3772108","-0.061106998","0.022630154","1.538461538","-0.7069"
-"UMLCN0017","L","7-butyltridecane","CCCCCCC(CCCC)CCCCCC","C17H36 ","Alkanes","","NREL (2014)","Unknown","36","0.8125","0.116685837","1.412789953","1.38304276","1.412789953","-2.10E-04","0.112735224","0.212800336","0.080140327","18.85389682","526.85484","-0.030876631","-0.010941949","2.75057794","-2.2654"
-"UMLCN0018","L","rose oxide","CC1CCOC(C1)C=C(C)C","C10H18O","Cyclic Ethers","Olefins","NREL (2014)","IQT","30","0.090909091","0.053797964","1.098813368","1.495069898","1.456252161","0.002012499","0","0.478377963","0.041928927","3.368943689","291.191646","-0.035836228","0.058362483","0.974643535","1.4643"
-"UMLCN0019","L","2-ethyltetrahydrofuran","CCC1CCCO1","C6H12O","Cyclic Ethers","","Marquardt (2015)","IQT","28.1","0.142857143","0.086380508","1.213601536","1.471393212","1.443943818","0.002364321","0","0.408077452","0.058925565","4.757453704","246.0095468","-0.035608847","0.044922105","0.671309869","-1.0056"
-"UMLCN0020","L","2,7-dimethyl-4,5-diethyloctane","CCC(CC(C)C)C(CC)CC(C)C","C14H30","Alkanes","","NREL (2014)","Unknown","39","0.538461538","0.115696209","1.233446712","1.122961314","1.233446712","-2.56E-04","0","0.256014406","0.0758903","5.565740741","418.3998294","-0.00529924","-0.011025","2.4322625","0.185"
-"UMLCN0021","L","2-methylfuran","CC1=CC=CO1","C5H6O","Cyclic Ethers","Aromatics","NREL (2014)","IQT","9","0","0.03928371","0.851944842","1.063598847","1.135140606","1.01E-04","0","0.732452455","0","0","124.0346267","0.005446471","0.001210667","0.396240625","0.2532"
-"UMLCN0022","L","bisabolene","CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1","C15H24","Cycloalkenes","Olefins","NREL (2014)","IQT","32.2","0.2","0.054768193","1.029166667","1.374538612","1.029166667","8.43E-17","5.38E-55","0.388215808","0.039088755","6.220792076","355.2665471","-0.015645292","3.29E-15","1.051783334","3.953"
-"UMLCN0023","L","limonene","CC1=CCC(CC1)C(=C)C","C10H16","Cycloalkenes","Olefins","Marquardt (2015)","IQT","18.9","0.1","0.061073033","1.057942708","1.149036531","1.057942708","8.47E-17","0","0.518370724","0.045235637","3.815833333","271.4640722","-0.009732953","2.20E-15","0.904222116","2.1424"
-"UMLCN0024","L","beta-pinene","CC1(C2CCC(=C)C1C2)C","C10H16","Olefins","Cyclic","NREL (2014)","IQT","21.3","0","0.056168539","1.015625","0.869884799","1.015625","3.33E-04","0","0.514751054","0.039649188","4.145763889","267.2922008","0.003546735","0.008981207","0.981145192","1.3695"
-"UMLCN0025","L","alpha-pinene","CC1=CCC2CC1C2(C)C","C10H16","Cycloalkenes","","NREL (2014)","IQT","23.1","0","0.052655156","0.9765625","1.00759","0.9765625","3.33E-04","0","0.50411056","0.038393429","2.810185185","281.2308256","0.001990696","0.008981207","1.010179327","1.5162"
-"UMLCN0026","L","beta-citronellol","CC(CCC=C(C)C)CCO","C10H20O","Alcohols","Olefins","Marquardt (2015)","IQT","25.6","0.5","0.07613477","1.164575763","0.862229691","0.896223605","-0.002704082","0","0.485228507","0.060575377","3.626815476","283.7614766","-0.032769381","-0.081122456","0.976279436","1.4641"
-"UMLCN0027","L","Linolenyl alcohol ","CC/C=C\C/C=C\C/C=C\CCCCCCCCO","C18H32O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","41","0.722222222","0.083202135","1.35864167","0.984265926","0.966508237","-0.001489468","2.029587491","0.424025708","0.054489811","12.20722563","544.2324207","-0.07556199","-0.074473384","0.877546814","-0.6296"
-"UMLCN0028","L","3-methoxy-3-methyl-1-butanol","CC(C)(CCO)OC","C6H14O2","Alcohols","Ethers","Marquardt (2015)","IQT","10","0.428571429","0.045643546","1.007920416","1.140339202","1.293034808","-0.00533359","0","0.489277389","0","0.893194444","213.0320278","-0.026126743","-0.112005388","1.193848296","-0.1944"
-"UMLCN0029","L","3,7-dimethyl-1-octanol","CC(C)CCCC(C)CCO","C10H22O","Alcohols","","Marquardt (2015)","IQT","29.3","0.6","0.100583086","1.24953276","0.810249228","0.878921725","-0.002413818","0","0.357260988","0.084489673","5.244327759","326.3160836","-0.029101697","-0.077242174","1.159535227","0.1928"
-"UMLCN0030","L","methanol","CO","CH4O","Alcohols","","NREL (2014)","Unknown","5","0","0","1.218021973","1.080870425","1.344438164","-0.037277956","0","0.693426404","0","0","152.7156905","-0.047677616","-0.186389778","2.584962501","-0.358"
-"UMLCN0031","L","tetrahydrofurfuryl alcohol","C1CC(OC1)CO","C5H10O2","Cyclic Ethers","Alcohols","Marquardt (2015)","IQT","17.9","0.142857143","0.054917163","1.192108909","1.151434506","1.234691371","-0.009959723","0","0.531863706","0.026352314","3.187453704","248.591216","-0.115268896","-0.169315294","0.470588235","-1.2176"
-"UMLCN0032","L","isobutanol","CC(C)CO","C4H10O","Alcohols","","NREL (2014)","IQT","8.5","0.25","0","1.126188845","0.809893925","0.910272661","-0.007382154","0","0.479051618","0","0.305555556","177.2871584","-0.029376669","-0.103350151","1.821570413","0.1242"
-"UMLCN0033","L","2-nonanol","CCCCCCCC(C)O","C9H20O","Alcohols","","NREL (2014)","IQT","39.6","0.666666667","0.122545212","1.27233055","0.750164616","0.822042597","-0.002735674","1.09E-195","0.332772314","0.086218601","7.442290722","315.5990802","0.002033939","-0.07933456","1.659147917","-2.1361"
-"UMLCN0034","L","2-butanol","CCC(C)O","C4H10O","Alcohols","","NREL (2014)","IQT","8.5","0.25","0","1.074663198","0.70655142","0.834614455","-0.007382154","0","0.479051618","0","0.861111111","179.7161658","0.014042513","-0.103350151","1.28823708","-0.6961"
-"UMLCN0035","L","oleyl alcohol","CCCCCCCC/C=C\CCCCCCCCO","C18H36O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","51","0.833333333","0.107258889","1.404052721","0.937526731","0.945832386","-0.001303719","2.115051363","0.322321874","0.072612131","18.8105345","540.2980913","-0.065309131","-0.070400812","1.76838409","-2.8744"
-"UMLCN0036","L","pentan-1-ol","CCCCCO","C5H12O","Alcohols","","NREL (2014)","CFR","18.2","0.6","0.111803399","1.299983183","0.820073639","0.907205263","-0.005596552","0","0.429664199","0","3.681944444","189.3246533","-0.032020189","-0.095141383","1.42508247","-1.2614"
-"UMLCN0037","L","nonan-1-ol","CCCCCCCCCO","C9H20O","Alcohols","","NREL (2014)","CFR","45","0.777777778","0.126166727","1.371051051","0.843732934","0.897585342","-0.002735674","1.38E-149","0.318223321","0.089419599","9.301161344","309.2034766","-0.040393046","-0.07933456","1.759029998","-2.4134"
-"UMLCN0038","L","palmitoleyl alcohol","CCCCCC/C=C\CCCCCCCCO","C16H32O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","46","0.8125","0.104302037","1.393566234","0.924092872","0.937420804","-0.001501451","1.739121184","0.345375772","0.069132967","15.8821133","521.9805772","-0.061068294","-0.072069634","1.503091519","-2.2984"
-"UMLCN0039","L","1-heptanol","CCCCCCCO","C7H16O","Alcohols","","NREL (2014)","IQT","29","0.714285714","0.126944546","1.343124862","0.828787797","0.896314829","-0.0037029","0","0.361926811","0.09045085","6.441014739","254.463679","-0.036151223","-0.085166694","1.635880205","-1.8374"
-"UMLCN0040","L","1-decanol","CCCCCCCCCCO","C10H22O","Alcohols","","NREL (2014)","CFR","50","0.8","0.125972273","1.381605101","0.852056898","0.900374991","-0.002413818","1.77E-15","0.301723115","0.089213348","10.75116134","346.8124558","-0.042514463","-0.077242174","1.917003786","-2.7014"
-"UMLCN0041","L","cyclohexanol","C1CCC(CC1)O","C6H12O","Alcohols","Cyclic","Marquardt (2015)","IQT","16.3","0","0.092683985","1.221191063","0.683690324","0.760540089","-0.004995258","0","0.38467346","0.045643546","5.888287037","209.5758995","-0.0030662","-0.094909895","1.447882895","-1.9507"
-"UMLCN0042","L","hexan-1-ol","CCCCCCO","C6H14O","Alcohols","","NREL (2014)","CFR","23.3","0.666666667","0.127916818","1.324129084","0.823117783","0.899444286","-0.004470131","0","0.391733219","0.079056942","5.043055556","224.4094774","-0.034042755","-0.089402612","1.602451641","-1.5494"
-"UMLCN0043","L","tetradecan-1-ol","CCCCCCCCCCCCCCO","C14H30O","Alcohols","","NREL (2014)","CFR","80.8","0.857142857","0.125583364","1.410833782","0.886575136","0.917817567","-0.001630375","6.345403169","0.255863405","0.088846681","16.6200208","471.3361565","-0.051000137","-0.071736506","2.594908887","-3.8534"
-"UMLCN0044","L","linoleyl alcohol","CCCCC/C=C\C/C=C\CCCCCCCCO","C18H34O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","44","0.777777778","0.091498842","1.380696085","0.960831397","0.954869844","-0.0013914","4.816510606","0.382663854","0.059925645","15.36488976","523.9623086","-0.071364841","-0.072352795","1.290686263","-1.4802"
-"UMLCN0045","L","2-ethyl-1-hexanol","CCCCC(CC)CO","C8H18O","Alcohols","","NREL (2014)","IQT","23.5","0.625","0.124390606","1.278166429","0.835703424","0.884820892","-0.00315048","0","0.380856417","0.104443645","5.200462963","284.1023149","-0.043459211","-0.081912483","1.198686221","-1.2606"
-"UMLCN0046","L","Isopentanol ","CC(C)CCO","C5H12O","Alcohols","","NREL (2014)","IQT","13.1","0.4","0","1.180958298","0.797523556","0.894935497","-0.005596552","0","0.46636733","0","1.261574074","203.0502798","-0.025577948","-0.095141383","1.42665","-0.1638"
-"UMLCN0047","L","1-propanol","CCCO","C3H8O","Alcohols","","NREL (2014)","Unknown","12","0.333333333","0","1.225386496","0.828733536","0.955075097","-0.010549545","0","0.54319642","0","1.194444444","132.5257054","-0.026567368","-0.116045","1.327067709","-0.6854"
-"UMLCN0048","L","1-butanol","CCCCO","C4H10O","Alcohols","","NREL (2014)","IQT","12","0.5","0","1.268349503","0.821897727","0.923104559","-0.007382154","0","0.479051618","0","2.381944444","162.0990796","-0.030158905","-0.103350151","1.301102071","-0.9734"
-"UMLCN0049","L","nerolidol","CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C","C15H26O","Alcohols","Olefins","Marquardt (2015)","IQT","19.2","0.466666667","0.059791922","1.001844974","0.774645422","0.775853131","-0.001910566","1.28E-08","0.495256925","0.043840959","3.888977781","344.9839916","0.045380348","-0.078333224","0.881417857","3.7014"
-"UMLCN0050","L","1-octanol","CCCCCCCCO","C8H18O","Alcohols","","NREL (2014)","CFR","39.1","0.75","0.126458409","1.35844346","0.835861369","0.896029915","-0.00315048","0","0.337939368","0.089763349","7.862889739","313.4064449","-0.038271673","-0.081912483","1.67633796","-2.1254"
-"UMLCN0051","L","octan-3-ol","CCCCCC(CC)O","C8H18O","Alcohols","","NREL (2014)","IQT","25","0.625","0.113821732","1.249070292","0.757820488","0.818731327","-0.00315048","0","0.352740002","0.089557956","5.590332577","285.6889583","-0.006177386","-0.081912483","1.300719092","-1.8481"
-"UMLCN0052","L","linalool","CC(=CCCC(C)(C=C)O)C","C10H18O","Alcohols","Olefins","NREL (2014)","IQT","16.5","0.4","0.058228907","0.94130295","0.717279868","0.768250394","-0.003057175","0","0.57335961","0.045954772","1.669675926","249.222627","0.052887413","-0.085600904","0.974643535","2.4692"
-"UMLCN0053","L","hexadecan-1-ol","CCCCCCCCCCCCCCCCO","C16H34O","Alcohols","","NREL (2014)","Other Ignition Delay Method","68","0.875","0.125486136","1.420638296","0.903506399","0.928215403","-0.001399566","9.351444019","0.240329186","0.088763348","19.57826733","559.8789675","-0.055242974","-0.069978313","2.896072291","-4.4294"
-"UMLCN0054","L","dodecan-1-ol","CCCCCCCCCCCCO","C12H26O","Alcohols","","NREL (2014)","CFR","63.6","0.833333333","0.125729205","1.398272015","0.869282379","0.908241356","-0.001948755","2.294410679","0.275626118","0.088977634","13.67511681","409.217445","-0.0467573","-0.074052686","2.26360705","-3.2774"
-"UMLCN0055","L","2-methyl-2-butanol","CCC(C)(C)O","C5H12O","Alcohols","","Marquardt (2015)","IQT","12.1","0.2","0","0.856628199","0.578277298","0.725708335","-0.005596552","0","0.429664199","0","0.826388889","196.5233429","0.064776939","-0.095141383","1.811361806","-0.1029"
-"UMLCN0056","L","undecan-1-ol","CCCCCCCCCCCO","C11H24O","Alcohols","","NREL (2014)","CFR","53","0.818181818","0.125833377","1.390567544","0.860619346","0.904012602","-0.002157431","0.381509267","0.287700552","0.089075848","12.20983903","360.7601782","-0.044635882","-0.075510086","2.089869261","-2.9894"
-"UMLCN0057","L","cyclopentanol","C1CCC(C1)O","C5H10O","Alcohols","Cyclic","Marquardt (2015)","IQT","9.8","0","0.064549722","1.18104026","0.664670599","0.753204304","-0.006497875","0","0.429229297","0","4.55787037","205.4932853","-8.10E-04","-0.103966","1.422180469","-1.6627"
-"UMLCN0058","L","geraniol","CC(=CCC/C(=C/CO)/C)C","C10H18O","Alcohols","Olefins","NREL (2014)","IQT","19.3","0.4","0.060457022","1.07442095","0.902068149","0.921457285","-0.003057175","0","0.493487276","0.047247666","2.316529195","268.9527697","-0.028159262","-0.085600904","1.043609052","2.3397"
-"UMLCN0059","L","ethanol","CCO","C2H6O","Alcohols","","NREL (2014)","IQT","11","0","0","1.164942368","0.843193013","1.025644043","-0.017277617","0","0.593062911","0","0.25","144.1575912","-0.015583991","-0.138220938","2.289390279","-0.1076"
-"UMLCN0060","L","octanal","CCCCCCCC=O","C8H16O","Aldehydes","","Marquardt (2015)","IQT","102.5","0.75","0.115691083","1.259314149","0.850398367","0.630214945","-1.61E-04","0","0.395218142","0.079611817","6.962381661","295.8125524","-0.044309699","-0.003873818","1.726450378","-1.5463"
-"UMLCN0061","L","hexanal","CCCCCC=O","C6H12O","Aldehydes","","Marquardt (2015)","IQT","75.2","0.666666667","0.101631566","1.19852615","0.822439424","0.622848033","-1.36E-04","0","0.469603457","0.058925565","4.20875","186.2913147","-0.040096519","-0.002447645","1.495072208","-0.9703"
-"UMLCN0062","L","pentanal","CCCCC=O","C5H10O","Aldehydes","","NREL (2014)","IQT","65.1","0.6","0.083333333","1.154950236","0.812116351","0.624806805","-1.04E-04","0","0.522979297","0","2.901527778","154.295298","-0.038197529","-0.00156025","1.22560253","-0.6823"
-"UMLCN0063","L","butanal","CCCC=O","C4H8O","Aldehydes","","Marquardt (2015)","IQT","41.1","0.5","0","1.096642491","0.808347309","0.635228641","-5.18E-05","0","0.591493778","0","1.684027778","123.220177","-0.036560125","-6.21E-04","1.242751303","-0.3943"
-"UMLCN0064","L","3-cyclohexene-1-carboxaldehyde","C1CC(CC=C1)C=O","C7H10O","Aldehydes","Cycloalkenes","Marquardt (2015)","IQT","28.1","0.125","0.059071813","1.139250741","0.853366414","0.601327914","3.18E-17","0","0.621544326","0.030982085","3.104074074","148.1848021","-0.057404146","5.72E-16","0.444444444","0.7043"
-"UMLCN0065","L","isobutyraldehyde","CC(C)C=O","C4H8O","Aldehydes","","Marquardt (2015)","IQT","21.1","0.25","0","0.939840713","0.803033599","0.621759034","-5.18E-05","0","0.549918677","0","0","146.5095151","-0.038830599","-6.21E-04","2.616305661","0.5419"
-"UMLCN0066","L","dibenzylether","C1=CC=C(C=C1)COCC2=CC=CC=C2","C14H14O","Aromatics","Ethers","Marquardt (2015)","IQT","8.1","0.25","0.032395715","1.17303147","1.630644807","1.743511103","0.001364243","2.17E-261","0.443230017","0.018476103","1.352647392","120.4185554","-0.115989688","0.040927277","1.379310345","2.2847"
-"UMLCN0067","L","benzaldehyde dimethyl acetal","COC(C1=CC=CC=C1)OC","C9H12O2","Aromatics","Acetals","Marquardt (2015)","IQT","10.4","0.272727273","0.03152855","1.122270638","1.61909645","1.636786863","1.10E-04","0","0.549501171","0.018013716","0","274.2174818","-0.066340995","0.002526609","1.022164131","1.2364"
-"UMLCN0068","L","2,6-dimethylnaphthalene","CC1=CC2=C(C=C1)C=C(C=C2)C","C12H12","Aromatics","","NREL (2014)","20% Blend, CFR","-7","0","0.030298349","0.821428571","0.901724437","0.821428571","2.37E-04","0","0.522630365","0.017760167","0","112.3789253","-0.001454244","0.005929","1.562907292","2.8406"
-"UMLCN0069","L","tert-butylbenzene","CC(C)(C)C1=CC=CC=C1","C10H14","Aromatics","","Creton (2011)","Unknown","-1","0.1","0.038334341","0.891836735","0.811893886","0.891836735","9.32E-17","0","0.486514398","0.02484271","0","213.9786207","0.004587263","2.24E-15","1.553508855","2.764"
-"UMLCN0070","L","4-methoxybenzaldehyde","COC1=CC=C(C=C1)C=O","C8H8O2","Aromatics","Ethers","Marquardt (2015)","IQT","25.8","0.2","0.025507171","0.959317829","1.201110641","1.20083605","-0.001636642","0","0.675393469","0.014336739","0","133.6877428","-0.076084777","-0.029459556","0.375271528","0.5168"
-"UMLCN0071","L","n-hexylbenzene","CCCCCCC1=CC=CC=C1","C12H18","Aromatics","","NREL (2014)","Unknown","26","0.416666667","0.055912268","1.230709877","1.197384661","1.230709877","9.06E-17","4.49E-176","0.461131948","0.040249237","6.686221104","263.0772961","-0.025877041","2.72E-15","0.853654682","0.1695"
-"UMLCN0072","L","1-methylnaphthalene","CC1=CC=CC2=CC=CC=C12","C11H10","Aromatics","","NREL (2014)","CFR","0","0","0.029372622","0.901515152","1.006141706","0.901515152","2.44E-04","0","0.500666494","0.017572719","0","102.0623932","-0.015706404","0.005377778","0.416899405","2.3942"
-"UMLCN0073","L","2-phenylundec-2-ene","CC(=CCCCCCCCC)C1=CC=CC=C1","C17H26","Aromatics","Olefins","Creton (2011)","Unknown","23","0.470588235","0.056750505","1.204838148","1.194668148","1.204838148","5.10E-17","0.079850892","0.446843128","0.039492707","9.522973181","392.6505179","-0.027840829","2.19E-15","0.956265476","0.7009"
-"UMLCN0074","L","2-octylnaphthalene","CCCCCCCCC1=CC2=CC=CC=C2C=C1","C18H24","Aromatics","","NREL (2014)","Unknown","18","0.368421053","0.041593499","1.149839744","1.137330315","1.149839744","1.80E-04","1.178288817","0.442330006","0.026517846","9.50211445","301.6568392","-0.028176002","0.007744","0.913441142","0.1379"
-"UMLCN0075","L","1,3-xylene","CC1=CC(=CC=C1)C","C8H10","Aromatics","","NREL (2014)","IQT","7","0","0.035911676","0.8925","0.998047666","0.8925","8.46E-17","0","0.526906293","0.031844727","0","154.1330806","-0.003264416","1.52E-15","1.1949875","2.2962"
-"UMLCN0076","L","2-methyl-2-phenylheptadecane","CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C24H42","Aromatics","","NREL (2014)","Unknown","39","0.625","0.074892424","1.266652494","1.190832873","1.266652494","-3.13E-16","7.888481198","0.313095271","0.054713124","20.00581523","589.4898527","-0.029922501","-2.06E-14","2.37981443","-1.5083"
-"UMLCN0077","L","4-isopropyltoluene","CC1=CC=C(C=C1)C(C)C","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","4","0.1","0.03794515","0.93877551","0.913373931","0.93877551","9.28E-17","0","0.516360267","0.032599314","0","223.2590491","2.96E-04","2.23E-15","1.312907292","2.2271"
-"UMLCN0078","L","2-tert-butylnaphthalene","CC(C)(C)C1=CC2=CC=CC=C2C=C1","C14H16","Aromatics","","NREL (2014)","Unknown","3","0.066666667","0.02926215","0.827132937","0.770607397","0.827132937","2.18E-04","0","0.493316728","0.017534453","0","208.5372186","0.00679916","0.006745884","1.401303334","3.3084"
-"UMLCN0079","L","n-heptylbenzene","CCCCCCCC1=CC=CC=C1","C13H20","Aromatics","","NREL (2014)","Unknown","35","0.461538462","0.059976253","1.252307692","1.214179091","1.252307692","8.16E-17","4.59E-98","0.438727198","0.045154439","8.139644983","307.7875919","-0.027986273","2.69E-15","0.920137211","-0.1185"
-"UMLCN0080","L","n-octyltetralin","CCCCCCCCC1CCCC2=CC=CC=C12","C18H28","Aromatics","Cyclic","NREL (2014)","Unknown","18","0.368421053","0.056770823","1.232142857","1.201887723","1.232142857","1.87E-04","9.74E-15","0.383792299","0.038262712","14.09663161","429.4521815","-0.028435087","0.008787025","1.040745717","-0.685"
-"UMLCN0081","L","1,2-diphenylethane","C1=CC=C(C=C1)CCC2=CC=CC=C2","C14H14","Aromatics","","NREL (2014)","CFR","1","0.2","0.038136373","1.125","1.108183582","1.125","2.04E-04","3.12E-275","0.417272647","0.024525404","2.25962963","154.1986286","-0.030557584","0.005929","1.428571429","2.5404"
-"UMLCN0082","L","3-ethyl-3-(beta-naphthyl)nonane","C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2","C21H30","Aromatics","","NREL (2014)","Unknown","13","0.363636364","0.040358621","1.07514881","1.055860174","1.07514881","1.58E-04","9.01E-321","0.413221683","0.023737035","9.260815728","406.9824963","-0.022547697","0.008206228","1.134790255","0.9579"
-"UMLCN0083","L","sec-butylbenzene","CCC(C)C1=CC=CC=C1","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","6","0.2","0.041597244","1.079591837","1.049672908","1.079591837","9.32E-17","0","0.511549931","0.028139426","1.226203704","219.9774592","-0.015137878","2.24E-15","0.646240625","1.1045"
-"UMLCN0084","L","2-methyl-2-(beta-naphthyl)hexane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C17H22","Aromatics","","NREL (2014)","Unknown","10","0.222222222","0.0373886","0.963123886","0.914395489","0.963123886","1.89E-04","1.70E-114","0.469190615","0.01887381","3.845911045","258.2659796","-0.004488065","0.007546709","1.003061935","2.2041"
-"UMLCN0085","L","2-methyl-2-(beta-naphthyl)decane","C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C21H30","Aromatics","","NREL (2014)","Unknown","18","0.363636364","0.042019363","1.07514881","1.01827539","1.07514881","1.58E-04","3.708388389","0.413221683","0.025676177","9.572630138","385.2210113","-0.01288857","0.008206228","1.257626774","1.0521"
-"UMLCN0086","L","1,3-diethylbenzene","CCC1=CC(=CC=C1)CC","C10H14","Aromatics","","NREL (2014)","Blend (Percentage? Method?)","5","0.2","0.043813806","1.032653061","1.023219236","1.032653061","9.31E-17","0","0.498184909","0.031087523","2.293333333","233.3193123","-0.008460761","2.23E-15","1.229573959","1.626"
-"UMLCN0087","L","1-butylnaphthalene","CCCCC1=CC=CC2=CC=CC=C21","C14H16","Aromatics","","NREL (2014)","Unknown","6","0.2","0.034234267","1.042906746","1.084339636","1.042906746","2.18E-04","0","0.512031143","0.02132963","3.759010062","204.7006795","-0.0248292","0.006745884","0.425162917","1.2899"
-"UMLCN0088","L","decalin","C1CCC2CCCCC2C1","C10H18","Cycloalkanes ","","Heyne (2009)","IQT","37.4","0","0.089096022","1.33","1.317299795","1.33","3.38E-04","0","0.249225913","0.063339971","12.35648148","331.7914541","-0.012645419","0.009801","2.625349107","-0.7418"
-"UMLCN0089","L","tert-butyltetralin","CC(C)(C)C1CCCC2=CC=CC=C12","C14H20","Aromatics","Cyclic","NREL (2014)","Unknown","17","0.066666667","0.046529689","0.971428571","0.917023245","0.971428571","2.34E-04","0","0.486888072","0.028399821","4.002199074","267.8711701","-0.001837842","0.008206228","1.214241545","2.4675"
-"UMLCN0090","L","2-phenylundecane","CCCCCCCCCC(C)C1=CC=CC=C1","C17H28","Aromatics","","NREL (2014)","Unknown","51","0.529411765","0.066552172","1.262755102","1.201904218","1.262755102","7.27E-17","1.536940729","0.379844195","0.048917603","11.22830432","400.9934754","-0.030128294","3.27E-15","1.313764788","-0.3679"
-"UMLCN0091","L","7-phenyltridecane","CCCCCCC(CCCCCC)C1=CC=CC=C1","C19H32","Aromatics","","NREL (2014)","Unknown","41","0.578947368","0.06507169","1.28880551","1.242097189","1.28880551","2.68E-17","3.38E-19","0.354218466","0.044764798","13.88087039","462.3484854","-0.038022803","1.37E-15","1.779001097","-0.7885"
-"UMLCN0092","L","n-butylbenzene","CCCCC1=CC=CC=C1","C10H14","Aromatics","","NREL (2014)","IQT","12","0.3","0.049229845","1.173469388","1.158972095","1.173469388","9.32E-17","0","0.511549931","0.035851124","3.829610733","215.2363377","-0.021760538","2.24E-15","0.614786979","0.7455"
-"UMLCN0093","L","4-phenyldodecane","CCCCCCCCC(CCC)C1=CC=CC=C1","C18H30","Aromatics","","NREL (2014)","Unknown","42","0.555555556","0.065720433","1.27654321","1.231124089","1.27654321","4.31E-17","1.809942398","0.366434829","0.046498155","12.48211848","431.0243522","-0.036056324","2.07E-15","1.213847136","-0.5005"
-"UMLCN0094","L","alpha-methyl-trans-cinnamaldehyde","C/C(=C\C1=CC=CC=C1)/C=O","C10H10O","Aromatics","Aldehydes","Marquardt (2015)","IQT","19.1","0.181818182","0.031451249","0.954873831","0.875127881","0.677721628","2.33E-17","0","0.567251471","0.017942308","0","114.0576648","-0.052665835","4.90E-16","0.5121375","1.9296"
-"UMLCN0095","L","5-methyl-5-(beta-naphthyl)nonane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC","C20H28","Aromatics","","NREL (2014)","Unknown","12","0.333333333","0.04316546","1.051904762","1.017671464","1.051904762","1.65E-04","3.29E-180","0.426263317","0.023068277","7.84162226","364.329551","-0.016008243","0.008070028","1.416128509","1.0998"
-"UMLCN0096","L","1-butyltetralin","CCCCC1CCCC2=CC=CC=C12","C14H20","Aromatics","Cyclic","Creton (2011)","Unknown","18","0.2","0.050883985","1.153571429","1.122195849","1.153571429","2.34E-04","0","0.458821655","0.033693755","8.228558673","300.9606819","-0.020024694","0.008206228","0.75322472","0.467"
-"UMLCN0097","L","n-nonylbenzene","CCCCCCCCCC1=CC=CC=C1","C15H24","Aromatics","","NREL (2014)","Unknown","50","0.533333333","0.066820858","1.286458333","1.243052367","1.286458333","8.46E-17","1.71646282","0.400470691","0.051330711","11.07278327","368.1436408","-0.032208686","3.30E-15","1.124982128","-0.6945"
-"UMLCN0098","L","1,2,4-trimethylbenzene ","CC1=CC(=C(C=C1)C)C","C9H12","Aromatics","","NREL (2014)","IQT","8.9","0","0.0401951","0.810185185","0.914416065","0.810185185","8.88E-17","0","0.484501705","0.026572033","0","188.6945595","0.00499964","1.86E-15","1.155460119","2.7426"
-"UMLCN0099","L","2-phenyltetradecane","CCCCCCCCCCCCC(C)C1=CC=CC=C1","C20H34","Aromatics","","NREL (2014)","Unknown","49","0.6","0.073296152","1.299783737","1.239707186","1.299783737","-1.07E-16","5.563831775","0.343056059","0.05455628","15.66566364","475.8915968","-0.036462123","-5.77E-15","1.815407868","-1.2319"
-"UMLCN0100","L","tetralin","C1CCC2=CC=CC=C2C1","C10H12","Aromatics","Cyclic","NREL (2014)","IQT","8.9","0","0.04738787","1.1","1.070764968","1.1","3.07E-04","0","0.531126549","0.029826297","5.37537037","203.0502962","-0.013973144","0.007056","1.363636364","0.561"
-"UMLCN0101","L","cyclohexene","C1CCC=CC1","C6H10","Cycloalkenes","","Marquardt (2015)","IQT","18.1","0","0.083333333","1.333333333","1.311020534","1.333333333","8.60E-17","0","0.5","0","5.465277778","206.4263629","-0.01831324","1.38E-15","1.5","0.403"
-"UMLCN0102","L","isopropylbenzene","CC(C)C1=CC=CC=C1","C9H12","Aromatics","","Creton (2011)","Unknown","15","0.111111111","0.039901862","1.026234568","0.990588833","1.026234568","8.94E-17","0","0.513536271","0.027556183","0","201.3154825","-0.009797429","1.88E-15","1.024275","1.7807"
-"UMLCN0103","L","2-phenyloctane","CCCCCCC(C)C1=CC=CC=C1","C14H22","Aromatics","","NREL (2014)","Unknown","33","0.428571429","0.057784997","1.208677686","1.151473262","1.208677686","6.08E-17","7.07E-36","0.428769976","0.040575563","6.836126464","316.9583917","-0.023794714","2.19E-15","0.975539319","0.4961"
-"UMLCN0104","L","1,4-dioctyltetralin","C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC","C26H44","Aromatics","Cyclic","Creton (2011)","Unknown","26","0.518518519","0.059536979","1.284965035","1.255697561","1.284965035","1.32E-04","3.10737814","0.30339761","0.039352834","22.82012438","660.9342838","-0.04282466","0.00937024","2.139265799","-1.931"
-"UMLCN0105","L","1,2-dimethylbenzene","CC1=CC=CC=C1C","C8H10","Aromatics","","NREL (2014)","CFR","8","0","0.037400282","0.8925","1.007673912","0.8925","8.46E-17","0","0.526906293","0.027777778","0","139.4332086","-0.00465623","1.52E-15","1.528320834","2.2962"
-"UMLCN0106","L","gamma-terpinene","CC1=CCC(=CC1)C(C)C","C10H16","Olefins","Cyclic","Marquardt (2015)","IQT","20.3","0.1","0.050645944","1.015625","1.19361864","1.015625","8.43E-17","0","0.482020892","0.043210236","2.358148148","285.5718521","-0.005451503","2.19E-15","1.2888375","2.4017"
-"UMLCN0107","L","2-methyl-2-phenylpentadecane","CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C22H38","Aromatics","","Creton (2011)","Unknown","39","0.590909091","0.071551919","1.244333921","1.165808182","1.244333921","-2.19E-16","3.450083408","0.32999514","0.052019106","17.03478566","529.642349","-0.025699949","-1.31E-14","2.102316091","-0.9323"
-"UMLCN0108","L","1,2-dimethoxybenzene","COC1=CC=CC=C1OC","C8H10O2","Aromatics","Ethers","Marquardt (2015)","IQT","13.4","0.2","0.029305784","0.979217582","1.686458454","1.617373568","-0.00125304","0","0.566052764","0.016250694","0","215.0562688","-0.157320238","-0.0250608","1.47548875","0.4062"
-"UMLCN0109","L","diphenylmethane","C1=CC=C(C=C1)CC2=CC=CC=C2","C13H12","Aromatics","","NREL (2014)","Unknown","11","0.142857143","0.03393869","1.098901099","1.142351361","1.098901099","2.10E-04","0","0.393275252","0.020249576","1.029444444","120.0576322","-0.033955761","0.005464166","1.28","2.8718"
-"UMLCN0110","L","n-dodecylbenzene","CCCCCCCCCCCCC1=CC=CC=C1","C18H30","Aromatics","","NREL (2014)","Unknown","68","0.611111111","0.074754377","1.322962963","1.277189634","1.322962963","4.31E-17","3.872819601","0.356400608","0.057870294","15.5091558","430.1363942","-0.038542515","2.07E-15","1.653834958","-1.5585"
-"UMLCN0111","L","n-tetradecylbenzene","CCCCCCCCCCCCCCC1=CC=CC=C1","C20H34","Aromatics","","NREL (2014)","Unknown","72","0.65","0.078941512","1.341046713","1.295423581","1.341046713","-1.07E-16","6.026443577","0.333512473","0.061082721","18.48022925","485.9710368","-0.042765068","-5.77E-15","1.997672277","-2.1345"
-"UMLCN0112","L","1,5-cyclooctadiene","C1/C=C\CC/C=C\C1","C8H12","Olefins","Cyclic","Marquardt (2015)","IQT","25.7","0","0.068742913","1.319444444","1.354400294","1.319444444","9.06E-17","0","0.444692288","0.043698116","4.930555556","183.5077246","-0.030793251","1.81E-15","2.4","1.958"
-"UMLCN0113","L","Dimethyl ether","COC","C2H6O","Ethers","","NREL (2014)","Unknown","67","0","0","1.318038097","2.112382804","2.153828047","2.01E-04","0","0.386253443","0","0","245.3835435","-0.10438872","0.001611062","2.779950001","0.0505"
-"UMLCN0114","L","isopropyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C","C21H40O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","86.6","0.772727273","0.091529762","1.22183851","0.950286641","0.698442321","9.33E-04","3.577856836","0.333495292","0.061596033","17.26265428","667.0244657","0.061644411","0.057854331","1.537997667","-2.1418"
-"UMLCN0115","L","1-methoxyhexane","CCCCCCOC","C7H16O","Ethers","","Marquardt (2015)","IQT","99.8","0.714285714","0.117002517","1.368722919","1.742399415","1.687931965","0.002376752","0","0.345687124","0.072168784","6.140629252","300.4523166","-0.093099871","0.054665306","1.213308978","-1.1409"
-"UMLCN0116","L","diisoamyl ether","CC(C)CCOCCC(C)C","C10H22O","Ethers","","NREL (2014)","IQT","96.2","0.6","0.075197411","1.244378275","1.591845022","1.554037428","0.001955932","4.45E-225","0.326540164","0.05394459","4.254924414","381.8380478","-0.065242326","0.062589826","2.273319697","0.4389"
-"UMLCN0117","L","2-ethylhexyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)CCCC","C26H50O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","88","0.814814815","0.085358962","1.279416447","1.037866881","0.746777448","8.16E-04","7.533971985","0.306102107","0.056149246","22.71562282","726.7748664","-0.001163732","0.06280522","1.634409531","-2.9943"
-"UMLCN0118","L","cyclopentyl methyl ether","COC1CCCC1","C6H12O","Ethers","Cyclic","Marquardt (2015)","IQT","47.3","0.142857143","0.071129449","1.248843117","1.552443196","1.507965587","0.002364321","0","0.367870693","0.058925565","5.323425926","297.2309406","-0.062189939","0.044922105","1.302888816","-1.2542"
-"UMLCN0119","L","2-ethylhexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C24H48O2","Esters","","NREL (2014)","Other Ignition Delay Method","98","0.84","0.092356047","1.282395032","1.016969403","0.734993661","8.59E-04","10.7641681","0.255015687","0.062442186","23.45822309","747.6247823","0.008902182","0.062741201","2.298165065","-4.5493"
-"UMLCN0120","L","methyl octanoate","CCCCCCCC(=O)OC","C9H18O2","Esters","","NREL (2014)","CFR","33.6","0.7","0.094065983","1.108777985","0.983795484","0.747096528","0.001030213","2.58E-56","0.384814032","0.062139964","6.488808264","319.8974007","0.027775175","0.028845964","1.184983723","-1.3427"
-"UMLCN0121","L","propyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCC","C21H40O2","Esters","Olefins","NREL (2014)","Blend","72","0.818181818","0.089679761","1.267209196","1.014975046","0.735835945","9.33E-04","3.640510764","0.327624079","0.062208015","18.81233868","671.2732162","0.015272788","0.057854331","1.399031198","-2.4191"
-"UMLCN0122","L","3-(3-methoxypropoxy)propan-1-ol","COCCCOCCCO","C7H16O3","Ethers","Alcohols","NREL (2014)","IQT","43.9","0.777777778","0.058114669","1.3442729","1.420537647","1.569776852","-0.00668688","0","0.422285155","0.038608837","4.00631724","351.8009122","-0.174082515","-0.167172","1.153846154","-1.1958"
-"UMLCN0123","L","diisopropyl ether","CC(C)OC(C)C","C6H14O","Ethers","","Marquardt (2015)","IQT","23.6","0.333333333","0","1.036907151","1.417805837","1.481550577","0.002521469","0","0.313704635","0","0","268.4813345","0.03446159","0.050429388","2.829136544","-0.0497"
-"UMLCN0124","L","methyl decanoate","CCCCCCCCCC(=O)OC","C11H22O2","Esters","","Marquardt (2015)","IQT","52.7","0.75","0.101799487","1.162417476","0.988850029","0.741512596","0.001140143","0.509079218","0.344052126","0.069639502","9.293436321","352.632698","0.023532601","0.038764878","1.367837228","-1.9187"
-"UMLCN0125","L","propyl stearate ","CCCCCCCCCCCCCCCCCC(=O)OCCC","C21H42O2","Esters","","NREL (2014)","Other Ignition Delay Method","80.5","0.863636364","0.103059191","1.287778614","1.000400396","0.729024074","9.35E-04","10.26667611","0.2528435","0.074514828","22.48617353","731.1847789","0.021095864","0.059862707","2.457788248","-4.5501"
-"UMLCN0126","L","2-butyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)CC","C22H44O2","Esters","","NREL (2014)","Other Ignition Delay Method","98","0.826086957","0.098871613","1.254084343","0.953169033","0.696490773","9.09E-04","10.22745238","0.253601245","0.071433953","21.84384134","700.13115","0.055152442","0.060910173","2.461262891","-4.5608"
-"UMLCN0127","L","isopropyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)C","C21H42O2","Esters","","NREL (2014)","Other Ignition Delay Method","97","0.818181818","0.105652495","1.243973757","0.93482169","0.692514695","9.35E-04","9.671644574","0.259592068","0.073902846","20.91763669","692.6389751","0.067467488","0.059862707","2.592478825","-4.2728"
-"UMLCN0128","L","stearic acid","CCCCCCCCCCCCCCCCCC(=O)O","C18H36O2","Acids","","NREL (2014)","Other Ignition Delay Method","62","0.842105263","0.116473185","1.261148065","0.582835975","0.375322382","-0.001523944","9.105437961","0.267775003","0.08192831","20.19919723","539.1654081","0.097328695","-0.083816898","2.818858957","-4.4737"
-"UMLCN0129","L","trimyristin","CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC","C45H86O6","Esters","","NREL (2014)","Other Ignition Delay Method","100","0.88","0.078614936","1.230573342","1.008404036","0.695034842","0.001115966","30.785549","0.233983002","0.051036201","41.38814082","1310.01767","0.039964194","0.151771327","3.439941786","-9.5462"
-"UMLCN0130","L","isobutyl oleate ","CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C","C22H42O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","60","0.782608696","0.084124197","1.244460771","1.014479713","0.733437905","9.08E-04","4.044791056","0.337125213","0.060178719","17.84836811","655.5949017","0.012286772","0.059032129","1.498391712","-1.6095"
-"UMLCN0131","L","butyl myristate","CCCCCCCCCCCCCC(=O)OCCCC","C18H36O2","Esters","","NREL (2014)","CFR","69.4","0.842105263","0.093559487","1.258263929","0.985178142","0.718847005","0.001018456","5.534977349","0.273633486","0.065249724","17.80829936","587.4408471","0.026273363","0.056015102","1.922633873","-3.6861"
-"UMLCN0132","L","hexyl acetate","CCCCCCOC(=O)C","C8H16O2","Esters","","NREL (2014)","IQT","32.2","0.666666667","0.080321616","1.047900149","0.885680509","0.715496191","8.80E-04","0","0.410857082","0.045029386","5.230029289","269.4708134","0.077943325","0.022008994","1.014020307","-1.1703"
-"UMLCN0133","L","trilaurin","CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","C39H74O6","Esters","","NREL (2014)","Other Ignition Delay Method","100","0.863636364","0.073048728","1.198483694","0.997759697","0.690338839","0.001132677","24.88004173","0.252079916","0.046553943","32.92923702","1152.317238","0.052692705","0.133655899","3.041406528","-7.8182"
-"UMLCN0134","L","methyl hexanoate","CCCCCC(=O)OC","C7H14O2","Esters","","Marquardt (2015)","IQT","25.3","0.625","0.074807714","1.034548099","0.984943229","0.76310685","6.00E-04","0","0.441976334","0.051031036","3.805166289","246.9290844","0.031960938","0.013204083","1.059327303","-0.7667"
-"UMLCN0135","L","methyl valerate","CCCCC(=O)OC","C6H12O","Esters","","Marquardt (2015)","IQT","13.3","0.571428571","0.072168784","0.985479586","0.990808619","0.778666028","7.63E-05","0","0.479172848","0.072168784","2.55037037","203.5098277","0.033723533","0.00145024","0.77548875","-0.4787"
-"UMLCN0136","L","diisobutyl ether","CC(C)COCC(C)C","C8H18O","Ethers","","Marquardt (2015)","IQT","59.7","0.5","0.068041382","1.191623336","1.639021574","1.57908839","0.002227674","0","0.321877869","0.068041382","1.801944444","323.9565429","-0.073923824","0.057919517","2.408131482","1.0149"
-"UMLCN0137","L","tributyrin","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","C15H26O6","Esters","","NREL (2004)","Other Ignition Delay Method","7","0.7","0.031969107","0.923113066","0.983095442","0.734691082","-0.00183988","1.36E-129","0.414933591","0.018922373","2.756161302","349.2595601","0.09971962","-0.084634481","1.852311703","-0.9062"
-"UMLCN0138","L","2-butyl oleate","O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC","C22H42O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","72","0.782608696","0.086161154","1.232911159","0.967484838","0.701804013","9.08E-04","1.559356949","0.32467741","0.059810852","18.18150693","706.9923802","0.049329365","0.059032129","1.450736454","-2.4298"
-"UMLCN0139","L","triethylene glycol monomethyl ether","COCCOCCOCCO","C7H16O4","Ethers","Alcohols","NREL (2014)","IQT","80.7","0.8","0.045205963","1.354795859","1.642098918","1.72775949","-0.011493115","2.03E-92","0.385676774","0.027247295","2.748341443","376.2014415","-0.382118309","-0.298820993","1.417209722","-0.7507"
-"UMLCN0140","L","1,6-dimethoxyhexane","COCCCCCCOC","C8H18O2","Ethers","","NREL (2014)","Blend (Method?)","88","0.777777778","0.094692343","1.378496954","1.791128307","1.770996122","0.002253248","0","0.338375027","0.06159991","6.675389739","362.2446461","-0.173118265","0.060837694","1.76820625","-1.2324"
-"UMLCN0141","L","1,2-dimethoxyethane","COCCOC","C4H10O2","Ethers","","NREL (2014)","IQT","81","0.6","0.083333333","1.347568637","2.001329096","1.996682702","-0.002108237","0","0.387198735","0","1.381944444","308.9107521","-0.218570635","-0.031623562","1.844360938","-0.0804"
-"UMLCN0142","L","ethyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC","C16H32O2","Esters","","NREL (2014)","CFR","67","0.823529412","0.105032841","1.233541609","0.962030744","0.713019746","0.001074288","4.845086751","0.291074255","0.073092858","15.60484599","506.6345434","0.040710299","0.052640102","1.920640497","-2.8203"
-"UMLCN0143","L","butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCCC","C20H40O2","Esters","","NREL (2014)","Blend (5%-7%)","89","0.857142857","0.097052877","1.278777235","0.996387187","0.72549281","9.62E-04","7.97027449","0.259182046","0.067971915","20.73771797","634.0336277","0.022030526","0.058709544","2.217177774","-4.2621"
-"UMLCN0144","L","n-butyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OCCCC","C22H44O2","Esters","","NREL (2014)","Other Ignition Delay Method","86","0.869565217","0.09984759","1.296074675","1.007425979","0.732656799","9.09E-04","9.565067692","0.24700142","0.070121013","23.68230186","702.2548175","0.017787689","0.060910173","2.491054531","-4.8381"
-"UMLCN0145","L","methyl linolenate","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC","C19H32O2","Esters","Olefins","NREL (2014)","IQT","37","0.7","0.076462009","1.218602227","1.086633122","0.787709735","9.59E-04","1.480102304","0.434759758","0.049985155","10.75148552","501.5033409","-0.009514682","0.049867335","0.858675","0.1531"
-"UMLCN0146","L","ethyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC","C18H36O2","Esters","","NREL (2014)","Blend","80","0.842105263","0.107695129","1.258263929","0.973670992","0.718847005","0.001018456","7.559137134","0.273633486","0.075277928","18.53298806","586.1447846","0.036467462","0.056015102","2.246956249","-3.3963"
-"UMLCN0147","L","2-methoxyethanol","COCCO","C3H8O2","Ethers","Alcohols","NREL (2014)","IQT","15.5","0.5","0","1.306711429","1.431476469","1.59936622","-0.018619199","0","0.549918677","0","0.565972222","244.4429392","-0.15627493","-0.223430391","0.958102094","-0.4889"
-"UMLCN0148","L","methyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OC","C19H38O2","Esters","","NREL (2014)","CFR","86","0.85","0.113399744","1.281733414","1.025696906","0.753932748","9.90E-04","8.741609361","0.25657594","0.079638886","20.93515407","655.3047543","0.006561253","0.057433868","2.694938112","-4.2227"
-"UMLCN0149","L","butyl butanoate","CCCCOC(=O)CCC","C8H16O2","Esters","","NREL (2014)","IQT","18","0.666666667","0.055172484","1.047900149","0.941838622","0.715496191","8.80E-04","0","0.421045266","0.041902312","4.096096466","267.9705475","0.046194028","0.022008994","0.981145192","-0.8061"
-"UMLCN0150","L","methyl dodecanoate","CCCCCCCCCCCC(=O)OC","C13H26O2","Esters","","NREL (2014)","IQT","66.5","0.785714286","0.10643959","1.203052997","0.996700399","0.741209991","0.001140207","1.772880894","0.313753027","0.073805912","12.16076241","414.4889393","0.019289764","0.045608281","1.715577962","-2.4947"
-"UMLCN0151","L","2,2-dimethoxypropane","CC(C)(OC)OC","C5H12O2","Ethers","","Marquardt (2015)","IQT","31.3","0.333333333","0","0.891586383","1.492845427","1.484783981","1.70E-04","0","0.392650579","0","0","239.2762383","0.089932272","0.00305569","2.171972501","0.019"
-"UMLCN0152","L","methyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC","C17H34O2","Esters","","NREL (2014)","IQT","85.9","0.833333333","0.111742564","1.260601251","1.015684604","0.748346062","0.001046688","7.897124548","0.271758317","0.078292815","17.992093","569.2399237","0.01080409","0.054427796","2.397635141","-3.6467"
-"UMLCN0153","L","methyl sorbate ","C/C=C/C=C/C(=O)OC","C7H10O2","Esters","Olefins","NREL (2014)","IQT","6","0.375","0.035050047","0.94335873","1.041537906","0.904016073","-7.44E-04","0","0.649802448","0.022680461","0","146.7540603","0.030644908","-0.013400909","0.605777632","1.2796"
-"UMLCN0154","L","ethyl decanoate","CCCCCCCCCC(=O)OCC","C12H24O2","Esters","","NREL (2014)","CFR","51","0.769230769","0.096158548","1.164898456","0.939849415","0.706102887","0.001147958","0.647940596","0.339636135","0.065445113","9.830473358","380.3327994","0.049195973","0.04247446","1.22708396","-1.6683"
-"UMLCN0155","L","methyl palmitoleate","CCCCCC/C=C\CCCCCCCC(=O)OC","C17H32O2","Esters","Olefins","NREL (2014)","IQT","56.6","0.777777778","0.093584765","1.236548666","1.035069434","0.759860268","0.001033648","2.220655894","0.362271162","0.061682493","14.37323392","542.4460735","0.004979013","0.051682411","1.345670402","-1.5157"
-"UMLCN0156","L","butyl valerate","CCCCC(=O)OCCCC","C9H18O2","Esters","","Marquardt (2015)","IQT","23.5","0.7","0.057008892","1.084297068","0.941889495","0.710265281","0.001030213","0","0.396239528","0.040738728","5.25597301","290.1435812","0.044949837","0.028845964","1.086543966","-1.0941"
-"UMLCN0157","L","acetal","CCOC(C)OCC","C6H14O2","Ethers","","Marquardt (2015)","IQT","54.1","0.571428571","0.048112522","1.134149734","1.445173943","1.454088926","0.001325077","0","0.367450407","0.048112522","1.446759259","313.4461811","0.055919498","0.027826612","1.557484659","0.8705"
-"UMLCN0158","L","vinyl laurate","CCCCCCCCCCCC(=O)OC=C","C14H26O2","Esters","Olefins","Marquardt (2015)","IQT","77","0.8","0.097778223","1.177555565","0.844425615","0.588248472","0.001087526","1.243809446","0.393642903","0.067214774","11.93218531","392.0127582","0.050598639","0.044588562","1.531873724","-2.4105"
-"UMLCN0159","L","1-butoxy-2-propanol","CCCCOCC(C)O","C7H16O2","Ethers","Alcohols","NREL (2014)","IQT","36.1","0.625","0.070397193","1.212461352","1.24416285","1.27919463","-0.003893047","0","0.443536955","0.048067815","3.493977702","261.5710415","-0.110418422","-0.093433126","0.9705865","-1.115"
-"UMLCN0160","L","diethylene glycol dimethyl ether","COCCOCCOC","C6H14O3","Ethers","","NREL (2014)","Blend","109","0.75","0.050296116","1.36247869","1.962332738","1.947853072","-0.003085492","0","0.345861234","0.033447893","2.618202948","361.2024146","-0.331480744","-0.067880832","1.717816305","-0.2113"
-"UMLCN0161","L","sec-butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)CC","C20H40O2","Esters","","Creton (2011)","Unknown","84.8","0.80952381","0.095968459","1.232992371","0.940311019","0.688624803","9.62E-04","8.095454029","0.266077434","0.069314654","18.9016435","619.9025476","0.059395279","0.058709544","2.184503072","-3.9848"
-"UMLCN0162","L","butyl decanoate","CCCCCCCCCC(=O)OCCCC","C14H28O2","Esters","","NREL (2014)","CFR","55","0.8","0.083079316","1.203158035","0.962972881","0.70849547","0.001123032","0.861232092","0.312552218","0.056835679","12.02945416","430.8940661","0.034759036","0.04829038","1.324196875","-2.5341"
-"UMLCN0163","L","1,4-cyclohexanedimethanol divinyl ether","C=COCC1CCC(CC1)COC=C","C12H20O2","Ethers","Olefins","Marquardt (2015)","IQT","61.1","0.428571429","0.065722928","1.244725876","1.34370411","1.387369684","0.001985661","7.64E-105","0.49811604","0.037753083","6.659830404","340.9577216","-0.08778358","0.067512471","1.823529412","0.4982"
-"UMLCN0164","L","methyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OC","C19H36O2","Esters","Olefins","NREL (2014)","CFR","56","0.8","0.097511669","1.259804326","1.042156563","0.76320978","9.84E-04","2.804809314","0.338950147","0.065691165","17.27744933","563.7026948","7.38E-04","0.055108767","1.533054","-2.0917"
-"UMLCN0165","L","dodecyl vinyl ether","CCCCCCCCCCCCOC=C","C14H28O","Ethers","Olefins","Marquardt (2015)","IQT","101.7","0.857142857","0.111679661","1.380203558","1.356058614","1.345603245","0.001562216","2.086096117","0.339686368","0.077922901","14.60478441","468.251857","-0.055817796","0.065613067","1.799629721","-2.7847"
-"UMLCN0166","L","1-methoxy-2-propanol","CC(COC)O","C4H10O2","Ethers","Alcohols","Marquardt (2015)","IQT","16.3","0.4","0","1.15311575","1.343340944","1.445918431","-0.011430371","0","0.554229297","0","0.430555556","194.8312026","-0.125534258","-0.171455562","0.969360938","-0.4996"
-"UMLCN0167","L","propyl decanoate","CCCCCCCCCC(=O)OCCC","C13H26O2","Esters","","NREL (2014)","CFR","53","0.785714286","0.08710224","1.185193938","0.955928484","0.706959948","0.001140207","0.620051819","0.325267774","0.062182811","10.83636175","414.4954024","0.038067212","0.045608281","1.186077817","-2.2461"
-"UMLCN0168","L","propyl linolenate","CCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C21H36O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","27","0.727272727","0.071953731","1.228086188","1.053805835","0.753837395","9.20E-04","1.661627598","0.41658033","0.048349771","12.26949644","589.2614655","0.005019929","0.053380762","0.839148729","-0.1743"
-"UMLCN0169","L","methyl heptanoate","CCCCCCC(=O)OC","C8H16O2","Esters","","Marquardt (2015)","IQT","34.2","0.666666667","0.08787918","1.074926366","0.983216823","0.753263","8.80E-04","1.64E-248","0.410857082","0.052897042","5.125774046","264.6277048","0.029892074","0.022008994","1.119977518","-1.0547"
-"UMLCN0170","L","butyl linolenate","CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C22H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","29","0.739130435","0.070297402","1.238679018","1.057185455","0.755003598","9.00E-04","4.751751189","0.405607812","0.046710173","13.45239937","616.4245918","0.001711753","0.054870281","0.830802823","-0.4623"
-"UMLCN0171","L","ethyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC","C20H40O2","Esters","","NREL (2014)","CFR","76.8","0.857142857","0.109730996","1.278777235","0.985258204","0.72549281","9.62E-04","8.372415153","0.259182046","0.076916731","21.47663555","661.1808989","0.032224625","0.058709544","2.544455421","-3.9723"
-"UMLCN0172","L","ethyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCC","C20H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","61","0.80952381","0.094777515","1.257314149","1.001048298","0.733056","9.59E-04","3.049461723","0.337141565","0.063840742","17.8101527","629.288432","0.026401548","0.056553329","1.435649425","-1.8413"
-"UMLCN0173","L","linolenic acid","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O","C18H30O2","Acids","Olefins","NREL (2014)","Other Ignition Delay Method","20","0.684210526","0.077072935","1.193715935","0.655548636","0.376200851","-0.001878701","1.435467363","0.456307894","0.050156454","10.09150298","371.7337449","0.081252759","-0.092056326","0.85509775","-0.0979"
-"UMLCN0174","L","butyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCC","C22H40O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","54","0.782608696","0.076105097","1.257165397","1.039160011","0.746184601","9.05E-04","5.885444418","0.369553467","0.050429427","16.58884982","601.321876","0.005908902","0.057023484","1.15625","-1.3129"
-"UMLCN0175","L","ethyl valerate","CCCCC(=O)OCC","C7H14O2","Esters","","Marquardt (2015)","IQT","18.6","0.625","0.066884347","1.004347089","0.925847425","0.724184541","6.00E-04","0","0.449231943","0.051031036","3.073943689","234.4725223","0.059386779","0.013204083","0.761294565","-0.2283"
-"UMLCN0176","L","propyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCC","C19H38O2","Esters","","NREL (2014)","Other Ignition Delay Method","85","0.85","0.10047792","1.268976301","0.98920722","0.722089508","9.90E-04","8.432824843","0.266085069","0.072665026","19.54202353","635.4074936","0.025338701","0.057433868","2.166602542","-3.9741"
-"UMLCN0177","L","propyl valerate","CCCCC(=O)OCCC","C8H16O","Esters","","Marquardt (2015)","IQT","20.7","0.666666667","0.060039182","1.047900149","0.938124726","0.715496191","8.80E-04","0","0.421045266","0.046048821","4.070124244","262.495046","0.048258013","0.022008994","0.827299039","-0.8061"
-"UMLCN0178","L","2-ethoxyethyl ether","CCOCCOCCOCC","C8H18O3","Ethers","","NREL (2014)","Other Ignition Delay Method","123","0.8","0.047419633","1.321375787","1.840997861","1.789661224","1.61E-04","0.002888364","0.30918291","0.031853849","4.218966837","374.1424547","-0.271302061","0.00450595","1.98309569","0.2895"
-"UMLCN0179","L","tetrahydrofurfuryl acetate","CC(=O)OCC1CCCO1","C7H12O3","Esters","Cyclic Ethers","Marquardt (2015)","IQT","18.2","0.3","0.040741172","0.99302968","1.16557003","1.033490429","-0.00328681","0","0.520734377","0.023392481","3.347694633","237.1884537","0.0024667","-0.072309818","0.579767614","-0.8385"
-"UMLCN0180","L","1,4-diethoxybutane","CCOCCCCOCC","C8H18O2","Ethers","","NREL (2014)","Blend (Method?)","97","0.777777778","0.078025676","1.327022169","1.689444514","1.697082469","0.002253248","0","0.338375027","0.050815783","5.650891282","361.4829572","-0.105398135","0.060837694","1.911063393","-0.1556"
-"UMLCN0181","L","methyl tetradecanoate","CCCCCCCCCCCCCC(=O)OC","C15H30O2","Esters","","Marquardt (2015)","IQT","75.8","0.8125","0.109532992","1.234924708","1.005888059","0.743882526","0.001100253","5.107616267","0.290368353","0.076457264","15.06477076","473.0208847","0.015046927","0.050611629","2.069726327","-3.0707"
-"UMLCN0182","L","ethyl acetoacetate","CCOC(=O)CC(=O)C","C6H10O3","Esters","Ketones","Marquardt (2015)","IQT","13.7","0.5","0.040965135","0.764876176","0.868595387","0.733588121","-0.003359222","0","0.563635123","0.035932185","0.236064815","142.9631561","0.092129231","-0.060465994","0.71104079","0.0425"
-"UMLCN0183","L","isobutyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCC(C)C","C20H40O2","Esters","","NREL (2014)","Unknown","84","0.80952381","0.093200912","1.245172348","0.989577447","0.720146602","9.62E-04","9.859043213","0.280156018","0.069728505","18.57001285","646.6308661","0.022352686","0.058709544","2.235232862","-3.1645"
-"UMLCN0184","L","isopropyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)C","C19H38O2","Esters","","NREL (2014)","Other Ignition Delay Method","83","0.8","0.103234057","1.22102197","0.921399482","0.684845542","9.90E-04","8.030552781","0.273122045","0.071971445","17.97594137","590.8027603","0.071710325","0.057433868","2.314990465","-3.6968"
-"UMLCN0185","L","ethyl hexanoate","CCCCCC(=O)OCC","C8H16O2","Esters","","NREL (2014)","IQT","27.8","0.666666667","0.070052379","1.047900149","0.925271279","0.715496191","8.80E-04","0","0.421045266","0.047294375","4.33352277","268.7823711","0.057624304","0.022008994","0.93709723","-0.5163"
-"UMLCN0186","L","dibutoxymethane","CCCCOCOCCCC","C9H20O2","Ethers","","NREL (2014)","Unknown","74","0.8","0.061798469","1.330332154","1.496773554","1.459495567","0.00241278","0","0.346018323","0.034344336","6.795084877","352.0420786","-0.048828449","0.072383401","1.661605645","-1.3289"
-"UMLCN0187","L","oleic acid","CCCCCCCC/C=C\CCCCCCCC(=O)O","C18H34O2","Acids","Olefins","NREL (2014)","Other Ignition Delay Method","46","0.789473684","0.099525906","1.237759737","0.604349855","0.37486031","-0.00162899","1.748294402","0.3551738","0.066984323","16.5795492","452.4697718","0.091505618","-0.086336444","1.597015388","-2.3427"
-"UMLCN0188","L","propyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC","C21H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","42.5","0.772727273","0.078067094","1.247278369","1.03437322","0.744027453","9.28E-04","5.395066954","0.380117579","0.052506585","15.40306059","636.4422394","0.009217078","0.055699186","1.055156196","-1.0249"
-"UMLCN0189","L","2-ethoxyethyl acetate","CCOCCOC(=O)C","C6H12O3","Esters","Ethers","NREL (2014)","Blend (20%, method?)","40","0.625","0.03676634","1.011165171","1.300691404","1.173114928","-0.003874661","0","0.482056282","0.023651232","1.528291761","243.9087621","-0.008547303","-0.077493224","0.83379881","0.1406"
-"UMLCN0190","L","methyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC","C19H34O2","Esters","Olefins","NREL (2014)","IQT","43.9","0.75","0.083721628","1.238710898","1.06405164","0.774347719","9.74E-04","3.380275642","0.396299283","0.05469621","13.87820984","553.2676003","-0.005317533","0.052594512","1.133900509","-0.6975"
-"UMLCN0191","L","menthyl acetate","CC1CCC(C(C1)OC(=O)C)C(C)C","C12H22O2","Esters","Cyclic","Marquardt (2015)","IQT","19.5","0.214285714","0.059366215","0.964473307","0.79688508","0.625079685","0.00110137","0","0.396229377","0.045340087","3.527597317","309.8501129","0.097763317","0.039649333","1.278863889","1.0354"
-"UMLCN0192","L","dibutyl ether","CCCCOCCCC","C8H18O","Ethers","","Marquardt (2015)","IQT","115.4","0.75","0.087115428","1.352177398","1.660505507","1.601506437","0.002227674","1.34E-238","0.321877869","0.065122868","6.818133503","298.0820095","-0.074431487","0.057919517","1.759621296","-1.1803"
-"UMLCN0193","L","Tripropylene glycol monomethyl ether","CC(CO)OCC(C)OCC(C)OC","C10H22O4","Ethers","Alcohols","NREL (2014)","IQT","81.3","0.615384615","0.048993677","1.151480034","1.537913927","1.538090485","-0.004699852","0","0.40221454","0.023609807","1.105047084","358.3646565","-0.294945715","-0.164494827","1.313450348","-0.7828"
-"UMLCN0194","L","diethoxymethane","CCOCOCC","C5H12O2","Ethers","","Marquardt (2015)","IQT","57.3","0.666666667","0.058925565","1.26763321","1.54161481","1.586845118","1.70E-04","0","0.392650579","0.058925565","1.909722222","241.7311066","-0.019342122","0.00305569","1.658409211","0.4027"
-"UMLCN0195","L","2-isopropoxyethanol","CC(C)OCCO","C5H12O2","Ethers","Alcohols","Marquardt (2015)","IQT","27.8","0.5","0.052704628","1.151229642","1.238847762","1.344871908","-0.007598684","0","0.47895647","0","0.579212963","212.5654686","-0.086425303","-0.13677631","1.132093421","-0.539"
-"UMLCN0196","L","dipropylene glycol monomethyl ether","CCC(O)OCCCOC","C7H16O3","Ethers","Alcohols","Marquardt (2015)","IQT","43.9","0.666666667","0.054494591","1.212747559","1.255374941","1.34994335","-0.00668688","1.92E-289","0.471380398","0.033054258","2.749824499","293.819351","-0.008727565","-0.167172","0.856333173","-1.0355"
-"UMLCN0197","L","ethylene glycol vinyl ether","C=COCCO","C6H12O3","Ethers","Alcohols","Marquardt (2015)","IQT","14","0.6","0.0372678","1.281620294","1.293375526","1.487222702","-0.016717325","0","0.723188261","0","0.412222222","192.4359345","-0.105175173","-0.217325224","0.428571429","-0.4047"
-"UMLCN0198","L","propylene glycol monomethyl ether acetate","CC(COC)OC(=O)C","C6H12O3","Ethers","Esters","Marquardt (2015)","IQT","24","0.5","0.02731009","0.926173318","1.324476093","1.168135216","-0.003874661","0","0.533606112","0.02395479","0.457916667","230.9053665","-0.014540755","-0.077493224","0.774507738","-0.1205"
-"UMLCN0199","L","gamma-undecanolactone","CCCCCCCC1CCC(=O)O1","C11H20O2","Cyclic Esters","","Marquardt (2015)","IQT","52.6","0.461538462","0.067970625","1.093419654","0.83416157","0.638990232","0.001053914","9.39E-60","0.362688598","0.049877359","9.14044097","300.0106447","0.082563566","0.034779152","1.041349333","-2.0714"
-"UMLCN0200","L","delta-undecalactone","CCCCCCC1CCCC(=O)O1","C11H20O2","Cyclic Esters","","Marquardt (2015)","IQT","48.6","0.384615385","0.062152554","1.093419654","0.853783857","0.638990232","0.001053914","3.40E-60","0.362688598","0.042604924","8.882738804","280.1639358","0.070356495","0.034779152","0.920137211","-2.0714"
-"UMLCN0201","L","epsilon-decalactone","CCCCC1CCCCC(=O)O1","C10H18O2","Cyclic Esters","","Marquardt (2015)","IQT","40.5","0.25","0.061488485","1.063780595","0.850469571","0.636605503","9.64E-04","0","0.384753452","0.038733813","7.295814909","260.2503126","0.068708669","0.028934933","0.920321349","-1.7834"
-"UMLCN0202","L","whiskey lactone","CCCCC1C(CC(=O)O1)C","C9H16O2","Cyclic Esters","","Marquardt (2015)","IQT","27.2","0.272727273","0.052127043","0.963850618","0.822728158","0.629216944","8.07E-04","0","0.448872053","0.04371804","4.014726946","198.714612","0.077929641","0.021792","0.828315851","-0.786"
-"UMLCN0203","L","butyl levulinate","CCCCOC(=O)CCC(=O)C","C9H16O3","Ketones","Esters","NREL (2014)","IQT","14.4","0.636363636","0.042611863","0.924790662","0.811529028","0.67148458","-3.15E-04","0","0.479963506","0.032151585","2.90579743","270.8763816","0.098414134","-0.008517653","0.76820625","-0.7885"
-"UMLCN0204","L","3-octanone","CCCCCC(=O)CC","C8H16O","Ketones","","NREL (2014)","IQT","36","0.625","0.097354846","1.102889283","0.814828174","0.545713079","-1.61E-04","0","0.373323509","0.075935911","4.999962207","230.0084909","-0.010007142","-0.003873818","1.214581119","-0.9556"
-"UMLCN0205","L","cycloheptanone","C1CCCC(=O)CC1","C7H12O","Ketones","Cyclic","Marquardt (2015)","IQT","22.5","0","0.084154684","1.102695062","0.755909516","0.507391784","5.16E-17","0","0.386621563","0.056629865","6.509074074","265.5980315","-0.010050571","1.03E-15","1.7","-1.3462"
-"UMLCN0206","L","2-nonanone","CCCCCCCC(=O)C","C9H18O","Ketones","","Marquardt (2015)","IQT","46.1","0.666666667","0.113239216","1.140925609","0.786907803","0.554275233","-1.64E-04","9.62E-244","0.356133229","0.077993185","6.994269652","280.3154686","0.002927407","-0.004431755","1.356220302","-1.6078"
-"UMLCN0207","L","4-methyl-2-pentanone","CC(C)CC(=O)C","C6H12O","Ketones","","Marquardt (2015)","IQT","12.6","0.333333333","0","0.88646729","0.696126185","0.520629855","-1.36E-04","0","0.44221035","0","0.722222222","199.039415","0.013412093","-0.002447645","1.500662633","0.3538"
-"UMLCN0208","L","3-pentanone","CCC(=O)CC","C5H10O","Ketones","","NREL (2014)","IQT","14.6","0.4","0","0.915782169","0.753907397","0.530805128","-1.04E-04","0","0.418448735","0","1.381944444","218.9238148","-0.00114821","-0.00156025","1.969360938","-0.0916"
-"UMLCN0209","L","3,3,5-trimethylcyclohexanone","CC1CC(=O)CC(C1)(C)C","C9H16O","Ketones","Cyclic","Marquardt (2015)","IQT","11.9","0","0.057008892","0.884110682","0.692529899","0.489426722","5.84E-17","0","0.421045266","0.044659908","2.805069444","223.6714077","0.004558603","1.52E-15","1.087102404","1.1746"
-"UMLCN0210","L","2-octanone","CCCCCCC(=O)C","C8H16O","Ketones","","Marquardt (2015)","IQT","36.6","0.625","0.11029902","1.102889283","0.767186085","0.545713079","-1.61E-04","0","0.379825756","0.070953696","5.601625094","231.8279394","0.005050346","-0.003873818","1.294581119","-1.3198"
-"UMLCN0211","L","menthone","C[C@@H]1CC[C@H](C(=O)C1)C(C)C","C10H18O","Ketones","Cyclic","Marquardt (2015)","IQT","20.6","0.090909091","0.0669367","1.003861905","0.811189808","0.512353443","5.34E-17","0","0.405077544","0.055257759","3.189583333","268.2287308","-0.022216392","1.55E-15","1.423593535","0.8438"
-"UMLCN0212","L","4-hydroxy-4-methyl-2-pentanone","CC(=O)CC(C)(C)O","C6H12O2","Ketones","Alcohols","Marquardt (2015)","IQT","11.5","0.285714286","0","0.693373129","0.63002045","0.643711508","-0.007283251","0","0.53662177","0","0.243055556","162.2454091","0.073309273","-0.13838176","1.42932953","-0.0853"
-"UMLCN0213","L","2,4-dimethyl-3-pentanone","CC(C)C(=O)C(C)C","C7H14O","Ketones","","NREL (2014)","IQT","14.4","0.285714286","0","0.866015446","0.824455996","0.514762337","-1.53E-04","0","0.354759099","0","0","233.2911362","-0.019467619","-0.003217983","2.703590074","1.2048"
-"UMLCN0214","L","cyclohexanone","C1CCC(=O)CC1","C6H10O","Ketones","","Marquardt (2015)","IQT","10.4","0","0.07904902","1.052377745","0.727708198","0.495821859","2.91E-17","0","0.424723413","0.036084392","5.239490741","173.793781","-0.007829247","4.94E-16","1.294117647","-1.0582"
-"UMLCN0215","L","2-heptanone","CCCCCC(=O)C","C7H14O","Ketones","","NREL (2014)","IQT","30","0.571428571","0.100343679","1.05569469","0.747219064","0.53828678","-1.53E-04","0","0.408222011","0.088015518","4.242592593","221.3219381","0.007138899","-0.003217983","1.232700704","-1.0318"
-"UMLCN0216","L","1-methyl-3-dodecylcyclohexane","CCCCCCCCCCCCC1CCCC(C1)C","C19H38","Naphthenes","","NREL (2014)","Unknown","70","0.578947368","0.104958951","1.396121884","1.36407367","1.396121884","-1.06E-16","4.252674173","0.211896183","0.076889161","22.32197253","589.1252643","-0.028429964","-6.06E-15","2.227558101","-2.4602"
-"UMLCN0217","L","cyclohexyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1","C26H52","Naphthenes","","Creton (2011)","Unknown","66","0.692307692","0.103637463","1.423816568","1.409035881","1.423816568","-4.71E-16","6.196142774","0.187106342","0.072461978","32.83296962","784.0300652","-0.046333934","-3.68E-14","3.040162615","-4.6712"
-"UMLCN0218","L","methylcyclohexane","CC1CCCCC1","C7H14","Naphthenes","","Marquardt (2015)","IQT","24.4","0","0.112630946","1.326530612","1.274217785","1.326530612","7.54E-17","0","0.296253813","0.102062073","7.437175926","270.7619589","-0.00797372","1.58E-15","1.976655953","-0.2194"
-"UMLCN0219","L","propylcyclohexane","CCCC1CCCCC1","C9H18","Naphthenes","","Creton (2011)","Unknown","52","0.222222222","0.109107988","1.364197531","1.335971829","1.364197531","7.55E-17","0","0.262278496","0.082133213","10.43243481","326.8177894","-0.013958174","2.04E-15","1.494982518","-0.64"
-"UMLCN0220","L","bicyclohexyl","C1CCC(CC1)C2CCCCC2","C12H22","Naphthenes","","NREL (2014)","Unknown","51","0.076923077","0.091359936","1.357638889","1.347884307","1.357638889","2.84E-04","0","0.229207976","0.058925565","15.39064815","370.5526534","-0.016829988","0.009929536","2.456169853","-1.3178"
-"UMLCN0221","L","cyclohexane","C1CCCCC1","C6H12","Naphthenes","","Marquardt (2015)","IQT","20","0","0.125","1.416666667","1.416666667","1.416666667","7.53E-17","0","0.220218789","0","9","241.3393075","-0.012544065","1.35E-15","3.251629167","-1.728"
-"UMLCN0222","L","n-butyldecalin","CCCCC1CCCC2C1CCCC2","C14H26","Naphthenes","","NREL (2014)","Unknown","31","0.2","0.082694318","1.326530612","1.307749979","1.326530612","2.44E-04","0","0.247520831","0.057578333","15.26512039","387.1592103","-0.018104244","0.01002001","1.609113199","-1.029"
-"UMLCN0223","L","1,3,5-trimethylcyclohexane","CC1CC(CC(C1)C)C","C9H18","Naphthenes","","Marquardt (2015)","IQT","30.5","0","0.082133213","1.203703704","1.079424157","1.203703704","7.59E-17","0","0.304237833","0.077435936","4.387916667","305.3060609","2.84E-04","2.05E-15","2.557727779","0.5874"
-"UMLCN0224","L","sec-butyldecalin","CCC(C)C1CCCC2C1CCCC2","C14H26","Naphthenes","","Creton (2011)","Unknown","34","0.133333333","0.079481942","1.275510204","1.233631073","1.275510204","2.44E-04","0","0.266189669","0.054262589","12.16428784","388.8576011","-0.012985224","0.01002001","1.229031486","-0.8632"
-"UMLCN0225","L","2-methyl-2-cyclohexylpentadecane","CCCCCCCCCCCCCC(C)(C)C1CCCCC1","C22H44","Naphthenes","","Creton (2011)","Unknown","45","0.590909091","0.102010161","1.342975207","1.290864117","1.342975207","-3.35E-16","1.90595586","0.211749586","0.069784933","25.0715185","602.7603982","-0.022591032","-2.21E-14","2.455338916","-2.799"
-"UMLCN0226","L","2-methyl-2-decalyldecane","CCCCCCCCC(C)(C)C1CCCC2CCCCC12","C21H40","Naphthenes","","Creton (2011)","Unknown","37","0.363636364","0.079948375","1.279478458","1.222967873","1.279478458","1.64E-04","2.451863365","0.237952084","0.05298832","20.92066162","552.8582606","-0.014633256","0.010197689","1.444901074","-1.1882"
-"UMLCN0227","L","1,2,4-trimethylcyclohexane","CC1CCC(C(C1)C)C","C9H18","Naphthenes","","Marquardt (2015)","IQT","24.4","0","0.095114297","1.203703704","1.082116933","1.203703704","7.59E-17","0","0.304237833","0.072067619","4.383935185","294.6332198","-3.52E-04","2.05E-15","1.478375813","0.9738"
-"UMLCN0228","L","n-propyltetralin","CCCC1CCCC2=CC=CC=C12","C13H18","Naphthenes","Aromatics","NREL (2014)","Unknown","8","0.142857143","0.049348562","1.126068376","1.095979895","1.126068376","2.50E-04","0","0.483637683","0.032409827","6.790610355","288.1269487","-0.018025897","0.007995821","0.604996371","0.755"
-"UMLCN0229","L","cyclohexyltetradecane","CCCCCCCCCCCCCCC1CCCCC1","C20H40","Naphthenes","","Creton (2011)","Unknown","57","0.65","0.112821158","1.438125","1.425318692","1.438125","-2.44E-16","5.839153684","0.187570942","0.080925003","26.92987876","609.7209567","-0.036915527","-1.46E-14","2.987788637","-3.808"
-"UMLCN0230","L","3-cyclohexylhexane","CCCCCCC1CCCCC1","C12H24","Naphthenes","","NREL (2014)","Unknown","36","0.416666667","0.106731737","1.397569444","1.376098338","1.397569444","7.55E-17","0","0.230279072","0.074886355","14.93402006","405.3151615","-0.020190204","2.72E-15","2.254924219","-1.504"
-"UMLCN0231","L","tert-butyldecalin","CC(C)(C)C1CCCC2C1CCCC2","C14H26","Naphthenes","","NREL (2014)","Unknown","24","0.066666667","0.077708","1.173469388","1.061445932","1.173469388","2.44E-04","0","0.288919873","0.052236177","10.63952664","387.8149196","0.00337226","0.01002001","1.432105313","1.0681"
-"UMLCN0232","L","n-propyldecalin","CCCC1CCCC2C1CCCC2","C13H24","Naphthenes","","NREL (2014)","Unknown","35","0.142857143","0.082915315","1.313609467","1.293177082","1.313609467","2.63E-04","0","0.256428118","0.058012429","13.75236229","388.7243779","-0.016053537","0.00997839","1.291201014","-0.741"
-"UMLCN0233","L","n-butylcyclohexane","CCCCC1CCCCC1","C10H20","Naphthenes","","NREL (2014)","IQT","47.8","0.3","0.108101429","1.3775","1.351813003","1.3775","1.22E-16","0","0.249772269","0.079642106","11.93358489","334.41992","-0.016021924","3.66E-15","1.962358847","-0.928"
-"UMLCN0234","L","hept-2-ene","CCCCC=CC","C7H14","Olefins","","NREL (2014)","20% Blend, CFR","44","0.5","0.11785113","1.30952381","1.382359431","1.30952381","-5.27E-04","0","0.468557469","0.11785113","3.904444444","252.3229699","-0.022405807","-0.010540444","0.738560714","0.6382"
-"UMLCN0235","L","ethylcyclohexane","CCC1CCCCC1","C8H16","Naphthenes","","NREL (2014)","IQT","35.8","0.125","0.110517172","1.34765625","1.312816003","1.34765625","1.22E-16","0","0.277440701","0.087115428","8.931064815","283.9219924","-0.011594894","2.94E-15","1.562907292","-0.8956"
-"UMLCN0236","L","ethenylcyclohexane","C=CC1CCCCC1","C8H14","Olefins","Cyclic","Creton (2011)","Unknown","38","0.125","0.094570577","1.325892857","1.121723238","1.325892857","7.96E-17","0","0.445319897","0.058925565","7.088009259","241.0508046","-0.017748253","1.75E-15","1.181818182","0.0486"
-"UMLCN0237","L","1-decene","CCCCCCCCC=C","C10H20","Olefins","","Marquardt (2015)","IQT","49.1","0.777777778","0.126180168","1.409722222","1.275940415","1.409722222","-3.63E-04","3.90E-58","0.390302752","0.089431479","9.537926351","322.9570992","-0.029162481","-0.010540444","1.373976032","-0.7136"
-"UMLCN0238","L","1-hexene","CCCCC=C","C6H12","Olefins","","NREL (2014)","IQT","25.8","0.6","0.144337567","1.345833333","1.214631295","1.345833333","-6.20E-04","0","0.529911443","0","3.755972222","202.5850787","-0.020787935","-0.010540444","0.708604861","0.4384"
-"UMLCN0239","L","2,2,6,6,8,8-hexamethyl-4-methylene-nonane","C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H32","Olefins","","Creton (2011)","Unknown","5","0.4","0.057507502","0.930208333","0.736390024","0.930208333","-2.24E-04","1.37E-232","0.328697353","0.049677791","3.54690051","407.7729014","0.03315004","-0.010540444","1.985902344","5.9071"
-"UMLCN0240","L","1-heptene","CCCCCC=C","C7H14","Olefins","","NREL (2014)","IQT","32","0.666666667","0.12319982","1.369047619","1.231003764","1.369047619","-5.27E-04","0","0.484342902","0.102062073","5.174305556","230.7412101","-0.022845849","-0.010540444","1.160215618","0.1504"
-"UMLCN0241","L","1-octene","CCCCCCC=C","C8H16","Olefins","","NREL (2014)","IQT","40","0.714285714","0.126966947","1.386160714","1.247155141","1.386160714","-4.58E-04","0","0.446918379","0.087115428","6.615915533","279.8131819","-0.024941843","-0.010540444","1.23373502","-0.1376"
-"UMLCN0242","L","1-hexadecene","CCCCCCCCCCCCCCC=C","C16H32","Olefins","","NREL (2014)","IQT","75.9","0.866666667","0.12553644","1.444270833","1.335345955","1.444270833","-2.24E-04","6.00573944","0.296265469","0.0888056","18.42834374","512.9663171","-0.041830134","-0.010540444","2.348521999","-2.4416"
-"UMLCN0243","L","9-methylheptadecane","CCCCCCCCC(C)CCCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","66","0.823529412","0.12532864","1.417587178","1.383365453","1.417587178","-1.99E-04","2.155825225","0.208272756","0.087390948","20.31403877","582.8937517","-0.031190936","-0.01092025","2.82569341","-2.7088"
-"UMLCN0244","L","diethylene glycol monomethyl ether","COCCOCCO","C5H12O3","Olefins","","Marquardt (2015)","IQT","38.3","0.714285714","0.048745259","1.338604698","1.568739622","1.684920274","-0.013740086","0","0.444070485","0.030150283","1.656879252","310.7138054","-0.269214598","-0.26106164","1.137744375","-0.6198"
-"UMLCN0245","L","cyclooctane","C1CCCCCCC1","C8H16","Olefins","","NREL (2014)","IQT","22.3","0","0.125","1.4375","1.4375","1.4375","1.22E-16","0","0.200284263","0.088388348","12","299.8670477","-0.016725419","2.94E-15","3.666666667","-2.304"
-"UMLCN0246","L","5-butyldodecane","CCCCCCCC(CCCC)CCCC","C16H34","Alkanes","","NREL (2014)","Unknown","45","0.8","0.119845708","1.407398897","1.376075094","1.407398897","-2.24E-04","0.014811042","0.217739904","0.085430658","17.35815141","537.2627401","-0.028798934","-0.010966278","2.572387427","-1.9774"
-"UMLCN0247","L","1-dodecene","CCCCCCCCCCC=C","C12H24","Olefins","","NREL (2014)","IQT","56.8","0.818181818","0.125842977","1.425189394","1.299647205","1.425189394","-3.01E-04","0.001210964","0.349907003","0.089083768","12.48818398","381.4174916","-0.033385028","-0.010540444","1.644980026","-1.2896"
-"UMLCN0248","L","2-methyl-1,3-butadiene","CC(=C)C=C","C5H8","Olefins","","Marquardt (2015)","IQT","13","0.25","0","0.975","0.886610173","0.975","-7.48E-04","0","0.61824645","0","0","114.3750474","-0.001123338","-0.008981207","1.242751303","1.8614"
-"UMLCN0249","L","7,10-dimethyl-8-hexadecene","CCCCCCC(C)C=CC(C)CCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","43","0.705882353","0.09900092","1.342320261","1.24714008","1.342320261","-1.99E-04","1.49667138","0.291446015","0.063612173","13.90439206","575.4898686","-0.023684053","-0.010540444","2.152570944","-0.9556"
-"UMLCN0250","L","2,5-dimethyl-2,4-hexadiene","CC(=CC=C(C)C)C","C8H14","Olefins","","Marquardt (2015)","IQT","19.9","0.142857143","0.083333333","0.916666667","1.323153486","0.916666667","-4.57E-04","0","0.418805366","0","0","204.373103","-0.008593573","-0.009604","2.591797728","3.1124"
-"UMLCN0251","L","1,9-decadiene","C=CCCCCCCC=C","C10H18","Olefins","","Marquardt (2015)","IQT","41","0.777777778","0.106649658","1.4","1.22255388","1.4","-3.63E-04","1.15E-73","0.461172916","0.072168784","7.655936791","276.9545944","-0.036998333","-0.009801","1.714285714","0.7742"
-"UMLCN0252","L","1-nonene","CCCCCCCC=C","C9H18","Olefins","","NREL (2014)","Unknown","51","0.75","0.12647521","1.399305556","1.262212595","1.399305556","-4.05E-04","3.83E-255","0.416055921","0.089779189","8.07206987","286.0507487","-0.027051327","-0.010540444","1.304417813","-0.4256"
-"UMLCN0253","L","7-hexyl-7-pentadecene","CCCCCCCC=C(CCCCCC)CCCCCC","C21H42","Olefins","","NREL (2014)","Unknown","47","0.8","0.096862065","1.383928571","1.400402599","1.383928571","-1.70E-04","1.074029909","0.263679718","0.062389344","22.38700222","670.8877002","-0.040607552","-0.010540444","2.25443303","-2.9375"
-"UMLCN0254","L","3-octene","CCCCC=CCC","C8H16","Olefins","","Marquardt (2015)","IQT","36","0.571428571","0.106345198","1.334821429","1.328515501","1.334821429","-4.58E-04","0","0.424722949","0.083333333","5.109730726","290.9047384","-0.021216894","-0.010540444","0.812907292","-0.038"
-"UMLCN0255","L","2-methyloctadecane","CCCCCCCCCCCCCCCCC(C)C","C19H40","Alkanes","","Marquardt (2015)","IQT","104","0.833333333","0.129822422","1.421883657","1.384784996","1.421883657","-1.88E-04","9.619412469","0.204106829","0.09206062","21.96741108","645.2038713","-0.031744285","-0.010900776","3.216916612","-3.1522"
-"UMLCN0256","L","2,2-dimethyloctane","CCCCCCC(C)(C)C","C10H22","Alkanes","","NREL (2014)","Unknown","59","0.555555556","0.128033009","1.202424242","1.05146277","1.202424242","-3.62E-04","0","0.264267899","0.088388348","6.9844572","350.0430602","0.003655308","-0.011209516","2.254342671","0.5179"
-"UMLCN0257","L","2,6,10-trimethyldodecane (aka farnesane)","CCC(C)CCCC(C)CCCC(C)C","C15H32","Alkanes","","NREL (2014)","IQT","58.6","0.642857143","0.107974306","1.301203704","1.203002807","1.301203704","-2.39E-04","1.95E-04","0.249169728","0.084930461","9.961896314","484.1932553","-0.009767503","-0.010993746","2.102340424","1.0494"
-"UMLCN0258","L","7,8-dimethyltetradecane","CCCCCCC(C)C(C)CCCCCC","C16H34","Alkanes","","NREL (2014)","Unknown","40","0.733333333","0.115286277","1.3604856","1.304978031","1.3604856","-2.24E-04","1.67E-26","0.233881905","0.077372362","14.28809335","489.4093463","-0.021603632","-0.010966278","2.518966738","-1.4234"
-"UMLCN0259","L","3-ethylpentane","CCC(CC)CC","C7H16","Alkanes","","Marquardt (2015)","IQT","34.1","0.5","0","1.290816327","1.218871993","1.290816327","-5.22E-04","0","0.293460064","0","4.0625","283.8326534","-0.009219332","-0.01147693","2.524888564","-1.0162"
-"UMLCN0260","L","n-hexane","CCCCCC","C6H14","Alkanes","","NREL (2014)","IQT","47.9","0.6","0.25","1.382275132","1.346838172","1.382275132","-6.12E-04","0","0.267653608","0","5.536388889","259.5942843","-0.012762229","-0.01162084","2.560964047","-1.0494"
-"UMLCN0261","L","n-heptane","CCCCCCC","C7H16","Alkanes","","Marquardt (2015)","IQT","52.8","0.666666667","0.176776695","1.398384354","1.366325958","1.398384354","-5.22E-04","0","0.254054166","0.176776695","7.008611111","292.0473291","-0.01485432","-0.01147693","2.553437215","-1.3374"
-"UMLCN0262","L","4,5-diethyloctane","CCCC(CC)C(CC)CCC","C12H26","Alkanes","","NREL (2014)","Unknown","20","0.636363636","0.136535507","1.314369658","1.262425798","1.314369658","-3.00E-04","0","0.259250401","0.100592232","8.361258503","387.0838775","-0.01698592","-0.011102504","2.17708042","-1.0478"
-"UMLCN0263","L","5-butylnonane","CCCCC(CCCC)CCCC","C13H28","Alkanes","","NREL (2014)","Unknown","53","0.75","0.12319982","1.386306002","1.34877446","1.386306002","-2.77E-04","0","0.235680454","0.092097643","12.88495607","437.5390336","-0.022540069","-0.011060883","2.750833376","-1.1134"
-"UMLCN0264","L","2-methylheptadecane","CCCCCCCCCCCCCCCC(C)C","C18H38","Alkanes","","Marquardt (2015)","IQT","91","0.823529412","0.130193377","1.417587178","1.378563049","1.417587178","-1.99E-04","8.633792475","0.208272756","0.092366643","20.47217337","564.4156564","-0.029653607","-0.01092025","3.09999681","-2.8642"
-"UMLCN0265","L","2,2,4,6,6-pentamethylheptane","CC(CC(C)(C)C)CC(C)(C)C","C12H26","Alkanes","","NREL (2014)","Unknown","9","0.363636364","0.072168784","1.001424501","0.714165546","1.001424501","-3.00E-04","0","0.268568819","0.072168784","2.675138889","359.4168855","0.029856353","-0.011102504","2.824297698","3.8882"
-"UMLCN0266","L","10,13-dimethyldocosane","CCCCCCCCCC(C)CCC(C)CCCCCCCCC","C24H50","Alkanes","","Creton (2011)","Unknown","56","0.826086957","0.120771359","1.406770833","1.36544667","1.406770833","-1.48E-04","9.761621618","0.200757737","0.082152958","26.1842396","735.6983312","-0.037059756","-0.010827246","3.145515621","-2.6402"
-"UMLCN0267","L","2,2,3-trimethylbutane","CC(C)C(C)(C)C","C7H16","Alkanes","","NREL (2014)","IQT","12.9","0.166666667","0","0.968112245","0.68757046","0.968112245","-5.22E-04","0","0.273277186","0","0","262.6873786","0.016606589","-0.01147693","2.601787454","2.1291"
-"UMLCN0268","L","2,2-dimethylbutane","CCC(C)(C)C","C6H14","Alkanes","","Marquardt (2015)","IQT","24.4","0.2","0","1.005291005","0.746388332","1.005291005","-6.12E-04","0","0.29079143","0","1.270833333","242.401853","0.012698697","-0.01162084","2.43414781","1.8631"
-"UMLCN0269","L","9,10-dimethyloctadecane","CCCCCCCCC(C)C(C)CCCCCCCC","C20H42","Alkanes","","NREL (2014)","Unknown","60","0.789473684","0.117571859","1.388234127","1.343336581","1.388234127","-1.78E-04","1.675099297","0.215028264","0.080966154","20.22851118","640.5177604","-0.029966149","-0.010883201","2.66077237","-2.5754"
-"UMLCN0270","L","n-octane","CCCCCCCC","C8H18","Alkanes","","NREL (2014)","CFR","64","0.714285714","0.159517797","1.410590278","1.381396894","1.410590278","-4.55E-04","0","0.242555111","0.125","8.488202948","304.9653617","-0.01694509","-0.01136684","2.566502152","-1.6254"
-"UMLCN0271","L","2,6-dimethyloctane","CCC(C)CCCC(C)C","C10H22","Alkanes","","Marquardt (2015)","IQT","51.7","0.555555556","0.116244858","1.277575758","1.171711416","1.277575758","-3.62E-04","0","0.274328152","0.097140452","5.600980726","354.7794693","-0.005985228","-0.011209516","1.80152314","0.6928"
-"UMLCN0272","L","2,2,4,4,6,8,8-heptamethylnonane ","CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H34","Alkanes","","NREL (2014)","CFR","15","0.4","0.068325557","0.985179228","0.687948053","0.985179228","-2.24E-04","7.09E-247","0.25223879","0.061326299","3.996622732","422.9434232","0.042109906","-0.010966278","2.426466251","5.2586"
-"UMLCN0273","L","octadecan-1-ol","CCCCCCCCCCCCCCCCCCO","C18H38O","Alcohols","","NREL (2014)","Other Ignition Delay Method","81","0.888888889","0.125416688","1.428502473","0.919879637","0.938959167","-0.001224968","10.47680987","0.227761539","0.088705656","22.5455342","599.6416148","-0.059485811","-0.068598227","3.167008875","-5.0054"
-"UMLCN0274","L","3-ethyldecane","CCCCCCCC(CC)CC","C12H26","Alkanes","","NREL (2014)","Unknown","48","0.727272727","0.12809115","1.376958689","1.33298828","1.376958689","-3.00E-04","2.95E-32","0.242977749","0.090938416","11.40923202","425.6232672","-0.019931659","-0.011102504","1.891429026","-1.9126"
-"UMLCN0275","L","n-heptadecane","CCCCCCCCCCCCCCCCC","C17H36","Alkanes","","NREL (2014)","Unknown","105","0.875","0.133629449","1.456939639","1.441115177","1.456939639","-2.10E-04","9.562243659","0.187295492","0.095045012","21.91565347","567.6378178","-0.035761191","-0.010941949","3.497469369","-4.2174"
-"UMLCN0276","L","n-eicosane","CCCCCCCCCCCCCCCCCCCC","C20H42","Alkanes","","NREL (2014)","Unknown","110","0.894736842","0.131903559","1.46327381","1.44957654","1.46327381","-1.78E-04","10.86743529","0.177766169","0.093618584","26.40633676","680.3171251","-0.042033223","-0.010883201","3.812170061","-5.0814"
-"UMLCN0277","L","2-methylpentane","CCCC(C)C","C6H14","Alkanes","","NREL (2014)","IQT","34.5","0.4","0","1.256613757","1.154757971","1.256613757","-6.12E-04","0","0.305196025","0","2.706018519","247.7580722","-0.004579185","-0.01162084","1.691585155","0.5918"
-"UMLCN0278","L","n-tetradecane","CCCCCCCCCCCCCC","C14H30","Alkanes","","NREL (2014)","IQT","85.1","0.846153846","0.136505932","1.447959184","1.429240693","1.447959184","-2.56E-04","5.913181172","0.199774057","0.097541261","17.4291062","506.169645","-0.029489158","-0.011025","3.141791613","-3.3534"
-"UMLCN0279","L","n-decane","CCCCCCCCCC","C10H22","Alkanes","","Marquardt (2015)","IQT","65.5","0.777777778","0.145710678","1.427878788","1.403214125","1.427878788","-3.62E-04","8.90E-34","0.224328152","0.106694174","11.46023227","379.4271945","-0.021126449","-0.011209516","2.647782999","-2.2014"
-"UMLCN0280","L","2,5-dimethylundecane","CCCCCCC(C)CCC(C)C","C13H28","Alkanes","","NREL (2014)","Unknown","58","0.666666667","0.127966941","1.328543252","1.247718412","1.328543252","-2.77E-04","5.37E-74","0.252218441","0.082007706","9.984476358","435.1444855","-0.012536695","-0.011060883","2.033758","0.3724"
-"UMLCN0281","L","3-methylheptane","CCCCC(C)CC","C8H18O","Alkanes","","Marquardt (2015)","IQT","45","0.571428571","0.164266427","1.316550926","1.243712962","1.316550926","-4.55E-04","0","0.281462171","0.144337567","5.534074074","316.4505009","-0.010022378","-0.01136684","1.701493498","-0.3724"
-"UMLCN0282","L","n-nonane","CCCCCCCCC","C9H20","Alkanes","","Marquardt (2015)","IQT","60.9","0.75","0.150888348","1.420164609","1.393411127","1.420164609","-4.03E-04","9.43E-198","0.232758839","0.112796116","9.972577948","355.1452031","-0.019035771","-0.011279905","2.559959688","-1.9134"
-"UMLCN0283","L","2-methylbutane","CCC(C)C","C5H12","Alkanes","","NREL (2014)","IQT","24.9","0.25","0","1.208888889","1.085756573","1.208888889","-7.39E-04","0","0.312468116","0","1.305555556","232.2739146","-0.002160584","-0.011816969","1.90821107","0.3362"
-"UMLCN0284","L","n-nonadecane","CCCCCCCCCCCCCCCCCCC","C19H40","Alkanes","","NREL (2014)","Unknown","110","0.888888889","0.132396671","1.461380425","1.447039901","1.461380425","-1.88E-04","10.9799589","0.180686532","0.09402091","24.90910684","639.9755412","-0.039942545","-0.010900776","3.711766719","-4.7934"
-"UMLCN0285","L","2-methylhexane","CCCCC(C)C","C7H16","Alkanes","","NREL (2014)","IQT","43.5","0.5","0.204124145","1.290816327","1.200772292","1.290816327","-5.22E-04","0","0.293460064","0","4.145185185","297.3479486","-0.006666306","-0.01147693","1.870415218","0.3038"
-"UMLCN0286","L","n-pentane","CCCCC","C5H12 ","Alkanes","","NREL (2014)","20% Blend, CFR","30","0.5","0","1.36","1.320475875","1.36","-7.39E-04","0","0.283685699","0","4.076388889","228.22306","-0.010659831","-0.011816969","2.547455517","-0.7614"
-"UMLCN0287","L","n-pentadecane","CCCCCCCCCCCCCCC","C15H32","Alkanes","","NREL (2014)","Unknown","96","0.857142857","0.135355339","1.451342593","1.433697564","1.451342593","-2.39E-04","7.475616812","0.195199769","0.09652427","18.92400416","514.1752085","-0.031579836","-0.010993746","3.264663626","-3.6414"
-"UMLCN0288","L","2-methylheptane","CCCCCC(C)C","C8H18","Alkanes","","NREL (2014)","IQT","49.8","0.571428571","0.144337567","1.316550926","1.235860156","1.316550926","-4.55E-04","0","0.281462171","0.144337567","5.604074074","301.1229321","-0.008748152","-0.01136684","2.269982693","0.0158"
-"UMLCN0289","L","3-methylpentane","CCC(C)CC","C6H14","Alkanes","","NREL (2014)","Unknown","30","0.4","0","1.256613757","1.160403025","1.256613757","-6.12E-04","0","0.305196025","0","2.659722222","262.582397","-0.005542894","-0.01162084","1.82932953","-0.34"
-"UMLCN0290","L","4-propyldecane","CCCCCCC(CCC)CCC","C13H28","Alkanes","","NREL (2014)","Unknown","39","0.75","0.126443733","1.386306002","1.349157335","1.386306002","-2.77E-04","6.77E-143","0.235680454","0.092399865","12.88355789","447.7437447","-0.022580755","-0.011060883","2.077394226","-1.1134"
-"UMLCN0291","L","n-undecane","CCCCCCCCCCC","C11H24","Alkanes","","NREL (2014)","20% Blend, CFR","81","0.8","0.142258898","1.43422865","1.411365182","1.43422865","-3.28E-04","3.56E-07","0.216997638","0.103033009","12.95023227","409.3101547","-0.023217126","-0.01115136","2.762949269","-2.4894"
-"UMLCN0292","L","n-tridecane","CCCCCCCCCCCCC","C13H28","Alkanes","","NREL (2014)","Unknown","90","0.833333333","0.137944174","1.444068752","1.424141285","1.444068752","-2.77E-04","4.122391234","0.204862159","0.09884882","15.93502336","469.2908161","-0.027398481","-0.011060883","3.015650374","-3.0654"
-"UMLCN0293","L","2,2,4-trimethylpentane","CC(C)CC(C)(C)C","C8H18","Alkanes","","NREL (2014)","IQT","18","0.285714286","0","1.03443287","0.78815335","1.03443287","-4.55E-04","0","0.290833201","0","1.326388889","290.4127846","0.015414224","-0.01136684","2.211324125","2.4503"
-"UMLCN0294","L","8-propylpentadecane","CCCCCCCC(CCC)CCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","48","0.823529412","0.119553078","1.417587178","1.389525928","1.417587178","-1.99E-04","0.886785074","0.208272756","0.083198718","20.34135551","568.0008353","-0.03299405","-0.01092025","2.379020211","-2.5534"
-"UMLCN0295","L","2,3-dimethylpentane","CCC(C)C(C)C","C7H16","Alkanes","","NREL (2014)","IQT","22","0.333333333","0","1.183248299","1.045180029","1.183248299","-5.22E-04","0","0.288748262","0","1.31712963","275.1905901","-7.18E-04","-0.01147693","1.740579868","0.4696"
-"UMLCN0296","L","n-dodecane","CCCCCCCCCCCC","C12H26","Alkanes","","NREL (2014)","IQT","72.9","0.818181818","0.139793342","1.439547721","1.418249548","1.439547721","-3.00E-04","1.999920535","0.210561978","0.100592232","14.44196781","438.9198618","-0.025307803","-0.011102504","2.88812121","-2.7774"
-"UMLCN0297","L","2,4-dimethylpentane","CC(C)CC(C)C","C7H16","Alkanes","","NREL (2014)","IQT","28.6","0.333333333","0","1.183248299","1.032756391","1.183248299","-5.22E-04","0","0.288748262","0","1.361111111","275.722501","0.001197502","-0.01147693","2.675787477","1.2082"
-"UMLCN0298","L","2,2,5-trimethylhexane","CC(C)CCC(C)(C)C","C9H20","Alkanes","","NREL (2014)","20% Blend, CFR","24","0.375","0.144337567","1.08600823","0.860007453","1.08600823","-4.03E-04","0","0.289841188","0","2.716435185","316.6286554","0.013966007","-0.011279905","2.05685312","2.4471"
-"UMLCN0299","L","9,10-dipropyloctadecane","CCCCCCCCC(CCC)C(CCC)CCCCCCCC","C24H50","Alkanes","","NREL (2014)","Unknown","47","0.826086957","0.109262101","1.406770833","1.380644491","1.406770833","-1.48E-04","3.432142298","0.200757737","0.076403943","26.20661924","719.375303","-0.042464142","-0.010827246","2.520666554","-3.4166"
-"UMLCN0300","L","n-octadecane","CCCCCCCCCCCCCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","106","0.882352941","0.132965645","1.459280918","1.444234485","1.459280918","-1.99E-04","9.843830865","0.183851312","0.09449029","23.41219326","612.7143709","-0.037851868","-0.01092025","3.606918516","-4.5054"
-"UMLCN0301","L","n-hexadecane","CCCCCCCCCCCCCCCC","C16H34","Alkanes","","NREL (2014)","CFR","100","0.866666667","0.134413945","1.454312194","1.437626164","1.454312194","-2.24E-04","9.011139014","0.191061225","0.095710678","20.41955972","569.245626","-0.033670513","-0.010966278","3.383352357","-3.9294"
-"UMLCN0302","L","5,6-dibutyldecane","CCCCC(CCCC)C(CCCC)CCCC","C18H38","Alkanes","","NREL (2014)","Unknown","30","0.764705882","0.102375128","1.375893437","1.341388486","1.375893437","-1.99E-04","2.81E-140","0.223765138","0.076848048","17.25645534","551.0676509","-0.029872341","-0.01092025","3.043545748","-1.6886"
-"UMLCN0303","L","7-hexylpentadecane","CCCCCCCCC(CCCCCC)CCCCCC","C21H44","Alkanes","","NREL (2014)","Unknown","83","0.85","0.115563059","1.429258572","1.404664374","1.429258572","-1.70E-04","1.515216022","0.196695343","0.078610652","24.84299358","662.0099521","-0.039226169","-0.010867261","3.006605713","-3.4174"
-"UMLCN0304","L","2,9-dimethyl-5,6-diisopentyldecane","CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C","C22H46","Alkanes","","NREL (2014)","Unknown","48","0.619047619","0.091362723","1.261917595","1.143728815","1.261917595","-1.62E-04","3.89E-125","0.232768297","0.065778059","11.53120181","580.0682818","-0.005291678","-0.010852737","3.206457353","3.7242"
-"UMLCN0305","L","9-heptylheptadecane","CCCCCCCCC(CCCCCCC)CCCCCCCC","C24H50","Alkanes","","NREL (2014)","Unknown","88","0.869565217","0.116793964","1.438032407","1.416305753","1.438032407","-1.48E-04","4.301446404","0.187406691","0.080470209","29.3395167","714.3409335","-0.045498012","-0.010827246","3.148175377","-4.2814"
-"UMLCN0306","L","methylcyclopentane","CC1CCCC1","C6H12","Naphthenes","","NREL (2014)","IQT","17.2","0","0.144337567","1.298611111","1.237401176","1.298611111","7.55E-17","0","0.320270882","0","5.946759259","238.7365307","-0.00588181","1.36E-15","1.888888889","0.0686"
-"UMLCN0307","L","1,3,5-triisopropyl cyclohexane","CC(C)C1CC(CC(C1)C(C)C)C(C)C","C15H30 ","Naphthenes","","NREL (2014)","IQT","25.3","0.2","0.078863645","1.173333333","1.032381996","1.173333333","7.64E-17","0","0.259585458","0.058830394","4.454027778","414.1863646","0.00347437","3.44E-15","3.161728131","0.9876"
-"UMLCN0308","L","2-methyl-3-cyclohexylnonane","CC(C(CCCCCC)C1CCCCC1)C","C16H32","Naphthenes","","NREL (2014)","Unknown","63","0.4375","0.095431913","1.331054688","1.283830591","1.331054688","7.59E-17","9.82E-288","0.24376896","0.064010766","14.80883719","464.4289724","-0.018825104","3.64E-15","1.900735279","-1.2372"
-"UMLCN0309","L","1,2,4-trimethyl-5-hexadecyl cyclohexane","C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C","C25H50","Naphthenes","","NREL (2014)","Unknown","42","0.6","0.097361732","1.3616","1.316228978","1.3616","-4.72E-16","7.229814136","0.212949365","0.068909207","25.12574697","766.1604899","-0.030961281","-3.54E-14","2.741592643","-3.5062"
-"UMLCN0310","L","4-methyl-1-cyclohexene","CC1CCC=CC1","C7H12","Cycloalkenes","","Kubic (2016)","Unknown","28","0","0.075087298","1.244047619","1.230891115","1.244047619","7.93E-17","0","0.514075352","0.068041382","4.011574074","231.0621435","-0.015546466","1.51E-15","0.671309869","1.1748"
-"UMLCN0311","L","1-heptyne","CCCCCC#C","C7H12","Alkynes","","NREL (2014)","IQT","22","0.5","0.098584392","1.272321429","0.991133321","1.272321429","-5.26E-04","0","0.469603457","0.072168784","4.701111111","163.0900885","-0.028549429","-0.009460122","1.17708042","0.0146"
-"UMLCN0312","L","4-vinyl-1-cyclohexene","C=CC1CCC=CC1","C8H12","Cycloalkenes","Olefins","Santana (2006)","Unknown","32","0.125","0.064295634","1.264467593","1.164891109","1.264467593","9.06E-17","0","0.560196149","0.03928371","3.764074074","183.5649932","-0.026354901","1.81E-15","0.4","1.4428"
-"UMLCN0313","L","2,4,4-trimethyl-1-pentene","CC(=C)CC(C)(C)C","C8H16","Olefins","","NREL (2014)","IQT","8.8","0.285714286","0","0.924107143","0.874871905","0.924107143","-4.58E-04","0","0.45421349","0","1.131944444","257.9525076","0.008393324","-0.010540444","1.942669272","3.1663"
-"UMLCN0314","L","2-octene","CCCCC/C=C/C","C8H16","Olefins","","NREL (2014)","20% Blend, CFR","43","0.571428571","0.11517401","1.334821429","1.386403607","1.334821429","-4.58E-04","0","0.436038132","0.083333333","5.340351474","264.2309478","-0.024462217","-0.010540444","1.015188666","0.3502"
-"UMLCN0315","L","2,6-dimethylheptane","CC(C)CCCC(C)C","C9H20","Olefins","","NREL (2014)","20% Blend, CFR","51","0.5","0.11785113","1.25308642","1.129349142","1.25308642","-4.03E-04","0","0.281712034","0.11785113","4.213981481","343.421532","-0.002631798","-0.011279905","2.501011207","1.369"
-"UMLCN0316","L","1-undecene","CCCCCCCCCC=C","C11H22","Olefins","","NREL (2014)","Unknown","65.5","0.8","0.125983473","1.418181818","1.288381384","1.418181818","-3.29E-04","0.078122673","0.36853398","0.089222853","11.01058067","350.8783639","-0.031273752","-0.010540444","1.476638059","-1.0016"
-"UMLCN0317","L","1-tetradecene","CCCCCCCCCCCCC=C","C14H28","Olefins","","NREL (2014)","Unknown","80.9","0.846153846","0.125655649","1.436126374","1.31914702","1.436126374","-2.57E-04","2.86311774","0.319708635","0.088909913","15.45368266","421.4446218","-0.037607581","-0.010540444","2.005686451","-1.8656"
-"UMLCN0318","L","2,6,7-trimethyl-2,6-tridecadiene","CCCCCC/C(=C(\C)/CCC=C(C)C)/C","C16H30","Olefins","","NREL (2014)","Unknown","24","0.533333333","0.080141843","1.155133929","1.384729879","1.155133929","-2.24E-04","3.11E-07","0.345132625","0.052773067","9.257015949","463.6414471","-0.017836904","-0.010087146","1.274547619","2.1965"
-"UMLCN0319","L","4-butyl-4-dodecene","CCCC(CCCC)=CCCCCCCC","C16H32 ","Olefins","","NREL (2014)","Unknown","45","0.733333333","0.098525997","1.346354167","1.373968739","1.346354167","-2.24E-04","0.592559986","0.302107144","0.068705772","15.05127964","528.8262221","-0.030096003","-0.010540444","1.382594333","-1.4975"
-"UMLCN0320","L","5-butyl-4-dodecene","CCCC=C(CCCC)CCCCCCC","C16H32 ","Olefins","","NREL (2014)","Unknown","45","0.733333333","0.096490681","1.346354167","1.373751045","1.346354167","-2.24E-04","8.50E-13","0.302107144","0.06800145","15.07205124","495.6976367","-0.030067486","-0.010540444","1.299261","-1.4975"
-"UMLCN0321","L","3,12-diethyl-3,11-tetradecadiene","CCC(=CCCCCCCC=C(CC)CC)CC","C18H34","Olefins","","NREL (2014)","Unknown","26","0.647058824","0.090029626","1.263888889","1.301303226","1.263888889","-1.99E-04","4.36E-04","0.333689138","0.06159991","13.08034852","486.5260842","-0.022389092","-0.010138941","2.2888375","1.1312"
-"UMLCN0322","L","1-octadecene","CCCCCCCCCCCCCCCCC=C","C18H36","Olefins","","NREL (2014)","Unknown","90","0.882352941","0.125453911","1.450571895","1.348965553","1.450571895","-1.99E-04","7.583065941","0.277513108","0.088736058","21.40894335","542.8045423","-0.046052687","-0.010540444","2.660330423","-3.0176"
-"UMLCN0323","L","9-methyl-9-heptadecene","CCCCCCCCC(C)=CCCCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","66","0.764705882","0.107636414","1.363970588","1.403356337","1.363970588","-1.99E-04","1.875501844","0.28698721","0.072292345","18.17167639","588.542368","-0.033799709","-0.010540444","1.759142934","-1.8332"
-"UMLCN0324","L","8-propyl-8-pentadecene","CCCCCCCC(CCC)=CCCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","45","0.764705882","0.098626504","1.363970588","1.385768083","1.363970588","-1.99E-04","0.674565026","0.284814151","0.065557833","17.98661967","562.6692581","-0.034233831","-0.010540444","1.473774239","-2.0735"
-"UMLCN0325","L","10,13-dimethyl-11-doeicosene","CCCCCCCCCC(C)C=CC(C)CCCCCCCCC","C24H48","Olefins","","NREL (2014)","Unknown","56","0.782608696","0.106091578","1.382699275","1.303739181","1.382699275","-1.48E-04","3.611629172","0.252458386","0.071716861","22.75600044","765.2362399","-0.036351235","-0.010540444","2.531094874","-2.6836"
-"UMLCN0326","L","benzene","C1=CC=CC=C1","C6H6","Aromatics","","NREL (2014)","CFR","14.3","0","0.037037037","1.222222222","1.222222222","1.222222222","6.85E-17","0","0.278942946","0","0","67.71781505","-0.022884416","8.22E-16","2.584962501","1.4034"
-"UMLCN0327","L","toluene","CC1=CC=CC=C1","C7H8","Aromatics","","NREL (2014)","IQT","6","0","0.03794515","1.015625","1.097895847","1.015625","6.30E-17","0","0.522652473","0.032075015","0","117.9382353","-0.012880025","9.45E-16","0.900651667","1.8498"
-"UMLCN0328","L","ethyl benzene","CCC1=CC=CC=C1","C8H10","Aromatics","","NREL (2014)","IQT","6.3","0.125","0.040710027","1.08375","1.092800598","1.08375","8.46E-17","0","0.535977247","0.030982085","1.139722222","158.6723547","-0.01550177","1.52E-15","0.59749375","1.5147"
-"UMLCN0329","L","1,4-dimethylbenzene","CC1=CC=C(C=C1)C","C8H10","Aromatics","","NREL (2014)","IQT","6.2","0","0.043815285","0.8925","0.993093135","0.8925","8.46E-17","0","0.526906293","0.027777778","0","152.4247414","-0.002835092","1.52E-15","1.750543056","2.2962"
-"UMLCN0330","L","1,3,5-trimethylbenzene","CC1=CC(=CC(=C1)C)C","C9H12","Aromatics","","NREL (2014)","80% Blend, IQT","8","0","0.032861464","0.810185185","0.909607297","0.810185185","8.88E-17","0","0.484501705","0.029926396","0","165.9459598","0.005962364","1.86E-15","2.264232144","2.7426"
-"UMLCN0331","L","n-propylbenzene","CCCC1=CC=CC=C1","C9H12","Aromatics","","NREL (2014)","80% Blend, IQT","16","0.222222222","0.044492435","1.134259259","1.135884545","1.134259259","8.94E-17","0","0.535219151","0.03285692","2.449259259","187.8823923","-0.019610677","1.88E-15","0.607375595","1.0335"
-"UMLCN0332","L","1,2,4,5-tetramethylbenzene","CC1=CC(=C(C=C1C)C)C","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","1","0","0.040259965","0.751020408","0.836871806","0.751020408","9.28E-17","0","0.427298569","0.023883545","0","222.1229379","0.012874355","2.23E-15","2.459147917","3.189"
-"UMLCN0333","L","naphthalene","C1=CC=C2C=CC=CC2=C1","C10H8O","Aromatics","","NREL (2014)","5%–7% Blend, CFR","22","0","0.029100005","1.02","1.042678671","1.02","2.47E-04","0","0.33385426","0.016864511","0","66.81388721","-0.020886301","0.004684642","1.444444444","1.9478"
-"UMLCN0334","L","2-methylnaphthalene","CC1=CC2=CC=CC=C2C=C1","C11H10","Aromatics","","NREL (2014)","20% Blend, CFR","6","0","0.029769204","0.901515152","0.970267269","0.901515152","2.44E-04","0","0.500666494","0.017829017","0","114.0747963","-0.011172708","0.005377778","0.797851786","2.3942"
-"UMLCN0335","L","n-pentylbenzene","CCCCCC1=CC=CC=C1","C11H16","Aromatics","","NREL (2014)","Blend","18","0.363636364","0.050295417","1.204900568","1.178877028","1.204900568","5.57E-17","0","0.485691643","0.039662876","5.246945625","208.426543","-0.023784825","1.50E-15","0.800357055","0.4575"
-"UMLCN0336","L","biphenyl","C1=CC=C(C=C1)C2=CC=CC=C2","C12H10","Aromatics","","NREL (2014)","5%–7% Blend, CFR","12","0.076923077","0.029619451","1.069444444","1.092909364","1.069444444","2.13E-04","0","0.302412507","0.016037507","0","77.97010815","-0.028534076","0.0049","1.363636364","2.4156"
-"UMLCN0337","L","m-diisopropylbenzene","CC(C)C1=CC(=CC=C1)C(C)C","C12H18","Aromatics","","NREL (2014)","CFR","-3","0.166666667","0.040222735","0.969650206","0.865397711","0.969650206","9.10E-17","0","0.447695254","0.029109403","0","298.0548724","0.003015977","2.73E-15","1.900651667","2.158"
-"UMLCN0338","L","n-octylbenzene","CCCCCCCCC1=CC=CC=C1","C14H22","Aromatics","","NREL (2014)","Unknown","37.5","0.5","0.063588683","1.270661157","1.229339208","1.270661157","6.06E-17","0.006930021","0.418560638","0.048480124","9.602750406","277.9880147","-0.030097415","2.18E-15","1.010125777","-0.4065"
-"UMLCN0339","L","1,3,5-triisopropylbenzene","CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C","C15H24","Aromatics","","NREL (2014)","Blend, IQT","2.8","0.2","0.040093769","0.943402778","0.777697035","0.943402778","8.39E-17","0","0.385011553","0.030031073","0","389.6929048","0.015555739","3.27E-15","2.93186827","2.5353"
-"UMLCN0340","L","4-methyl-4-(2-naphthyl)heptane","C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC","C18H24","Aromatics","","NREL (2014)","Unknown","9","0.263157895","0.035894199","0.996527778","0.969997963","0.996527778","1.80E-04","5.43E-296","0.454494082","0.020379364","5.060529888","289.5539517","-0.012029595","0.007744","1.149158631","1.6758"
-"UMLCN0341","L","2-methyl-4-isobutyl-4-phenylundecane","CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C","C22H38 ","Aromatics","","NREL (2014)","Unknown","18","0.52173913","0.061390924","1.185244565","1.122026456","1.185244565","-2.38E-16","1.936252768","0.34969849","0.044024263","12.3872624","532.2416242","-0.023584","-1.50E-14","1.828210665","1.0119"
-"UMLCN0342","L","5-butyl-5-phenyltetradecane","C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC","C24H42","Aromatics","","NREL (2014)","Unknown","58","0.625","0.067279664","1.266652494","1.22544289","1.266652494","-3.14E-16","1.271702982","0.313095271","0.046353752","19.44720149","594.2405298","-0.040610891","-2.07E-14","2.026102643","-1.9889"
-"UMLCN0343","L","1,2,4-trimethyl-5-hexadecyl benzene","C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C","C25H44","Aromatics","","NREL (2014)","Unknown","42","0.6","0.070363142","1.227933884","1.25758266","1.227933884","-3.90E-16","10.82364458","0.296456705","0.049777553","21.43866791","659.1056151","-0.021942713","-2.69E-14","2.160402208","-1.3713"
-"UMLCN0344","L","5-phenyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1","C26H46","Aromatics","","NREL (2014)","Unknown","39","0.692307692","0.07758056","1.347317144","1.302876784","1.347317144","-4.13E-16","8.822867773","0.292342872","0.056060977","24.29493257","647.0921648","-0.052835818","-2.97E-14","2.356358928","-2.8045"
-"UMLCN0345","L","tert-butanol","CC(C)(C)O","C4H10O","Alcohols","","NREL (2014)","Blend, IQT","5.6","0","0","0.738816234","0.543511025","0.733292453","-0.007382154","0","0.43204258","0","0","185.2058781","0.078127426","-0.103350151","3.204251866","0.5733"
-"UMLCN0346","L","dimethoxymethane","COCOC","C3H8O2","Ethers","","NREL (2014)","Blend","49","0.5","0","1.328616724","1.755021602","1.866857724","-0.006966533","0","0.41794859","0","0.388888889","214.1791182","-0.07507051","-0.083598391","1.939247286","-0.0981"
-"UMLCN0347","L","diethyl ether","CCOCC","C4H10O","Ethers","","NREL (2014)","Other Ignition Delay Method","160","0.5","0","1.257253085","1.715067307","1.730722033","0.002605846","0","0.364895091","0","1.6875","243.4045201","-0.044275578","0.036481849","2.094444373","0.5513"
-"UMLCN0348","L","2-butoxyethanol","CCCCOCCO","C6H14O2","Ethers","Alcohols","NREL (2014)","Blend appx. 20% (Method?)","41","0.714285714","0.073291468","1.305119712","1.291490999","1.352049011","-0.00533359","0","0.440811291","0.052221822","3.672820295","226.3613391","-0.141163032","-0.112005388","0.886807955","-1.1043"
-"UMLCN0349","L","2-ethylhexyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","116","0.851851852","0.094774118","1.297196993","1.027474065","0.742761208","8.14E-04","12.36729568","0.244913162","0.064517879","26.40219139","787.7764636","0.004659345","0.06428844","2.531782419","-5.1253"
-"UMLCN0350","L","7,8-diethyltetradecane","CCCCCCC(CC)C(CC)CCCCCC","C18H38","Alkanes","","BioCompoundML (2016)","Unknown","67","0.764705882","0.11312106","1.375893437","1.339317801","1.375893437","-1.99E-04","0.304109014","0.223765138","0.074416065","17.23613348","509.5124959","-0.029426932","-0.01092025","2.254264839","-2.7758"
-"UMLCN0351","L","butyl laurate","CCCCCCCCCCCC(=O)OCCCC","C16H32O2","Esters","","NREL (2014)","Blend","73","0.823529412","0.089067985","1.233541609","0.973950509","0.713019746","0.001074288","2.234589485","0.291074255","0.061689936","14.90129115","480.2922727","0.0305162","0.052640102","1.614581119","-3.1101"
-"UMLCN0352","L","butyl octanoate","CCCCCCCC(=O)OCCCC","C12H24O2","Esters","","BioCompoundML (2016)","Unknown","39.6","0.769230769","0.074695179","1.164898456","0.952736274","0.706102887","0.001147958","0.636143953","0.339636135","0.049823975","9.217580838","409.1658623","0.03900161","0.04247446","1.177760197","-1.9581"
-"UMLCN0353","L","butyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC","C22H42O2","Esters","Olefins","NREL (2014)","Blend","102","0.826086957","0.08713713","1.276326462","1.020989791","0.738803124","9.08E-04","5.506819372","0.318833581","0.059109654","20.00222105","645.661333","0.011964612","0.059032129","1.481430871","-2.7071"
-"UMLCN0354","L","cyclopentane","C1CCCC1","C5H10","Naphthenes","","BioCompoundML (2016)","Unknown","6.1","0","0","1.4","1.4","1.4","7.53E-17","0","0.235045188","0","7.5","206.2726212","-0.010453387","1.13E-15","2.988594762","-1.44"
-"UMLCN0355","L","decanoic acid","CCCCCCCCCC(=O)O","C10H20O2","Acids","","BioCompoundML (2016)","Unknown","48","0.727272727","0.106728254","1.12002092","0.498818747","0.322586995","-0.003404073","2.26E-18","0.37273683","0.073314926","8.642477534","260.8365387","0.114300042","-0.10552625","1.460282999","-2.1697"
-"UMLCN0356","L","decyl acetate","CCCCCCCCCCOC(=O)C","C12H24O2","Esters","","BioCompoundML (2016)","Unknown","62","0.769230769","0.100178676","1.164898456","0.903903399","0.706102887","0.001147958","2.30E-59","0.327859478","0.068643105","10.85104881","380.9368524","0.069472061","0.04247446","1.450510934","-2.3223"
-"UMLCN0357","L","decyl caprate","CCCCCCCCCCOC(=O)CCCCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","81","0.857142857","0.095819973","1.278777235","0.995708335","0.72549281","9.62E-04","4.270706128","0.259182046","0.063464521","20.31021961","638.1123231","0.02247196","0.058709544","2.206240522","-4.2621"
-"UMLCN0358","L","decyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","84","0.869565217","0.098737976","1.296074675","1.006765178","0.732656799","9.09E-04","6.214889774","0.24700142","0.066088081","23.18607361","686.7600326","0.018229123","0.060910173","2.432313918","-4.8381"
-"UMLCN0359","L","decyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C24H48O2","Esters","","BioCompoundML (2016)","Unknown","72","0.88","0.101125433","1.310858978","1.017564446","0.740144199","8.59E-04","6.924668077","0.236585055","0.068211916","26.09600197","738.8088598","0.013986286","0.062741201","2.65524373","-5.4141"
-"UMLCN0360","L","decyl oleate","CCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC","C28H54O2","Esters","Olefins","BioCompoundML (2016)","Unknown","134","0.862068966","0.095021167","1.318862594","1.04735463","0.758974234","7.74E-04","11.27324387","0.27761429","0.063071512","28.26994301","815.5548103","-3.22E-04","0.064274093","2.065973808","-4.4351"
-"UMLCN0361","L","decyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","91","0.888888889","0.10311498","1.323641629","1.028058526","0.747824258","8.14E-04","9.264806383","0.227566485","0.069966389","29.02761138","790.6908634","0.009743449","0.06428844","2.86837267","-5.9901"
-"UMLCN0362","L","decyl valerate","CCCCCCCCCCOC(=O)CCCC","C15H30O2","Esters","","BioCompoundML (2016)","Unknown","61","0.8125","0.086682306","1.219173087","0.968378116","0.710553792","0.001100253","0.078703773","0.301225647","0.059763456","13.51623331","431.1759586","0.032662761","0.050611629","1.54797633","-2.8221"
-"UMLCN0363","L","dibutyl adipate","CCCCOC(=O)CCCCC(=O)OCCCC","C14H26O4","Esters","","NREL (2014)","Blend","81","0.764705882","0.051738233","1.052026151","0.924446048","0.718317572","3.55E-04","6.433543194","0.376719967","0.034254004","7.056663307","417.2952405","0.101355115","0.015281975","1.670676705","-1.7148"
-"UMLCN0364","L","dibutyl azelate","CCCCOC(=O)CCCCCCCC(=O)OCCCC","C17H32O4","Esters","","BioCompoundML (2016)","Unknown","83","0.8","0.063352788","1.106586233","0.93018188","0.707831344","8.42E-04","2.210053663","0.339450993","0.04324823","10.98890738","514.9271618","0.093061647","0.043808399","1.613391981","-2.5788"
-"UMLCN0365","L","dibutyl malonate","CCCCOC(=O)CC(=O)OCCCC","C11H20O4","Esters","","NREL (2014)","CFR","21","0.714285714","0.038402277","0.979808976","0.925642436","0.740925144","-8.50E-04","0.173449614","0.418250289","0.025970512","4.095508685","325.5568326","0.120199899","-0.028889652","1.585993572","-1.1736"
-"UMLCN0366","L","dibutyl phthalate","CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","C16H22O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","38","0.5","0.025522692","0.937754475","0.929417911","0.744736295","-2.51E-04","1.90E-197","0.509625757","0.015274747","4.272598265","324.6921665","0.047021057","-0.010550095","1.5121375","-0.1962"
-"UMLCN0367","L","dibutyl succinate","CCCCOC(=O)CCC(=O)OCCCC","C12H22O4","Esters","","Jenkins (2013)","CFR","21","0.733333333","0.040206385","1.006350428","0.881049856","0.731408775","-3.16E-04","1.681350936","0.407748681","0.028592752","4.84903597","367.1866823","0.151893039","-0.011701861","1.671309869","-1.1388"
-"UMLCN0368","L","diethyl adipate","CCOC(=O)CCCCC(=O)OCC","C10H18O4","Esters","","BioCompoundML (2016)","Unknown","15","0.692307692","0.057002643","0.95022397","0.91358282","0.753331084","-0.001597654","2.59E-73","0.443383437","0.034536616","2.94762367","309.3830137","0.130228968","-0.049527266","1.672180469","0.0168"
-"UMLCN0369","L","diethyl azelate","CCOC(=O)CCCCCCCC(=O)OCC","C13H24O4","Esters","","BioCompoundML (2016)","Unknown","47","0.75","0.073108373","1.030301072","0.911514519","0.724042555","7.08E-05","0.718713452","0.391564398","0.048359706","6.756695033","368.5107899","0.12193552","0.002832295","1.59779939","-0.8472"
-"UMLCN0370","L","diethyl butanedioate","CCOC(=O)CCC(=O)OCC","C8H14O4","Esters","","NREL (2014)","CFR","21","0.636363636","0.037479961","0.879476476","0.878080118","0.791929525","-0.004252627","0","0.465655811","0.021849058","0.905420761","236.6053528","0.180756892","-0.106315669","1.673452885","0.5928"
-"UMLCN0371","L","diethyl oxalate","CCOC(=O)C(=O)OCC","C6H10O4","Esters","","BioCompoundML (2016)","Unknown","21","0.555555556","0.027736893","0.787034955","1.256962656","0.867952589","-0.010573408","0","0.5","0.020833333","0.384221466","143.2770126","-0.243246763","-0.20089476","1.67548875","0.5232"
-"UMLCN0372","L","diethyl sebacate","CCOC(=O)CCCCCCCCC(=O)OCC","C14H26O4","Esters","","BioCompoundML (2016)","Unknown","47","0.764705882","0.077100037","1.052026151","0.911989527","0.718317572","3.55E-04","0.255346714","0.376719967","0.051695427","8.112142235","434.7623075","0.119813608","0.015281975","1.670676705","-1.1352"
-"UMLCN0373","L","dihexyl azelate","CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC","C21H40O4","Esters","","BioCompoundML (2016)","Unknown","99","0.833333333","0.072543893","1.161523753","0.938478674","0.703024652","0.001079935","3.148178932","0.302643722","0.043074956","16.1333985","641.5994991","0.085430023","0.069115819","2.018758168","-3.7308"
-"UMLCN0374","L","dihexyl phthalate","CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC","C20H30O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","48","0.583333333","0.033939947","1.020127595","0.926735163","0.721129219","6.15E-04","5.16E-04","0.439409086","0.018353977","9.125901949","450.9511799","0.039394267","0.033226074","1.800357055","-1.3482"
-"UMLCN0375","L","dimethyl adipate","COC(=O)CCCCC(=O)OC","C8H14O4","Esters","","BioCompoundML (2016)","Unknown","5","0.636363636","0.058708816","0.928118027","0.990654349","0.83673946","-0.004252627","1.69E-84","0.465655811","0.034020691","2.073943689","297.109343","0.078901678","-0.106315669","1.673452885","-0.484"
-"UMLCN0376","L","dimethyl azelate","COC(=O)CCCCCCCC(=O)OC","C11H20O4","Esters","","BioCompoundML (2016)","Unknown","24","0.714285714","0.077523841","1.016982308","0.974671248","0.781675866","-8.50E-04","6.01E-06","0.398143661","0.051087554","5.789020062","364.2858632","0.070608776","-0.028889652","1.585993572","-1.348"
-"UMLCN0377","L","dimethyl malonate","COC(=O)CC(=O)OC","C5H8O4","Esters","","BioCompoundML (2016)","Unknown","15","0.5","0.029462783","0.803014514","1.053218053","0.992799361","-0.017269204","0","0.539481332","0.029462783","-0.3125","125.9245074","0.096843011","-0.276307266","1.500575","0.0572"
-"UMLCN0378","L","dimethyl phthalate","COC(=O)C1=CC=CC=C1C(=O)OC","C10H10O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","19","0.285714286","0.022736007","0.795608037","1.027968083","0.925646272","-0.006595611","0","0.622772496","0.012758563","0","144.7565473","0.024210671","-0.158294667","1.396240625","1.0346"
-"UMLCN0379","L","dioctyl adipate","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","C22H42O4","Esters","","BioCompoundML (2016)","Unknown","89","0.84","0.075290824","1.172939435","0.939359445","0.702810329","0.001104455","7.078774632","0.295127233","0.046973247","17.55476537","660.4351715","0.085266542","0.073998502","2.187191999","-4.0188"
-"UMLCN0380","L","dioctyl sebacate","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Esters","","BioCompoundML (2016)","Unknown","70","0.862068966","0.082257987","1.211813354","0.952504837","0.704393922","0.001136176","3.070982908","0.26989944","0.05297937","23.01984977","769.1439803","0.074851162","0.089757877","2.346857575","-5.1708"
-"UMLCN0381","L","dipentyl ether","CCCCCOCCCCC","C10H22O","Ethers","","NREL (2014)","IQT","111","0.8","0.082133213","1.376450617","1.637150474","1.575490694","0.001955932","0.006789223","0.293441466","0.059486135","9.623565602","390.3067262","-0.078127169","0.062589826","2.036947908","-1.7563"
-"UMLCN0382","L","dodecyl acetate","CCCCCCCCCCCCOC(=O)C","C14H28O2","Esters","","BioCompoundML (2016)","Unknown","77","0.8","0.104691644","1.203158035","0.916050565","0.70849547","0.001123032","0.389022985","0.3013541","0.072592154","13.74476774","453.8902953","0.065229224","0.04829038","1.821340125","-2.8983"
-"UMLCN0383","L","dodecyl laurate","CCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C24H48O2","Esters","","BioCompoundML (2016)","Unknown","85","0.88","0.101125433","1.310858978","1.017564446","0.740144199","8.59E-04","6.2641516","0.236585055","0.068211916","26.08718527","765.6191051","0.013986286","0.062741201","2.65524373","-5.4141"
-"UMLCN0384","L","dodecyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","74","0.888888889","0.10311498","1.323641629","1.028058526","0.747824258","8.14E-04","9.450276635","0.227566485","0.069966389","28.99766081","810.1290835","0.00974345","0.06428844","2.86837267","-5.9901"
-"UMLCN0385","L","dodecyl valerate","CCCCCCCCCCCCOC(=O)CCCC","C17H34O2","Esters","","BioCompoundML (2016)","Unknown","67","0.833333333","0.091791332","1.246506235","0.9795247","0.715806403","0.001046688","2.92690352","0.281924232","0.064167285","16.41360498","513.9587985","0.028419924","0.054427796","1.844800708","-3.3981"
-"UMLCN0386","L","ethyl laurate","CCCCCCCCCCCC(=O)OCC","C14H28O2","Esters","","BioCompoundML (2016)","Unknown","73","0.8","0.101402449","1.203158035","0.950597713","0.70849547","0.001123032","1.803909181","0.312552218","0.07003376","12.69964185","444.2840413","0.044953136","0.04829038","1.570308726","-2.2443"
-"UMLCN0387","L","ethyl levulinate","CCOC(=O)CCC(=O)C","C7H12O3","Esters","Ketones","NREL (2014)","IQT","6","0.555555556","0.041996986","0.828020998","0.804647","0.704218133","-0.001797162","0","0.520734377","0.028966725","0.887643613","192.6870329","0.112851011","-0.037740397","0.704989773","0.0773"
-"UMLCN0388","L","ethyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC","C20H36O2","Esters","Olefins","BioCompoundML (2016)","Unknown","44.4","0.761904762","0.081798652","1.236547975","1.021894485","0.742169721","9.51E-04","5.789162897","0.391473028","0.053532972","14.40554208","580.9354677","0.020345839","0.054231096","1.075250482","-0.4471"
-"UMLCN0389","L","ethyl linolenate","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC","C20H34O2","Esters","Olefins","BioCompoundML (2016)","Unknown","27","0.714285714","0.07496607","1.216593736","1.04296477","0.753118407","9.40E-04","3.797016682","0.428095867","0.049116357","11.27519939","512.9262945","0.01614869","0.051723138","0.848388839","0.4035"
-"UMLCN0390","L","glycerol triacetate","CC(=O)OCC(COC(=O)C)OC(=O)C","C9H14O6","Esters","","BioCompoundML (2016)","Unknown","5","0.571428571","0.027483449","0.74905215","0.960836919","0.846712369","-0.011503826","0","0.472446376","0.013507821","-0.245648148","249.6527389","0.20584291","-0.32210713","1.604459483","-0.2708"
-"UMLCN0391","L","hexadecyl acetate","CCCCCCCCCCCCCCCCOC(=O)C","C18H36O2","Esters","","BioCompoundML (2016)","Unknown","86","0.842105263","0.110107205","1.258263929","0.941500001","0.718847005","0.001018456","7.000490487","0.263802195","0.077105352","19.60414024","582.4504844","0.05674355","0.056015102","2.492106739","-4.0503"
-"UMLCN0392","L","hexadecyl laurate","CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C28H56O2","Esters","","BioCompoundML (2016)","Unknown","88","0.896551724","0.104798443","1.334803909","1.038223026","0.755606805","7.72E-04","14.81032214","0.219674373","0.071440145","31.95572855","899.8991036","0.005500613","0.065613067","3.0696456","-6.5661"
-"UMLCN0393","L","hexyl decanoate ","CCCCCCCCCC(=O)OCCCCCC","C16H32O2","Esters","","BioCompoundML (2016)","Unknown","64","0.823529412","0.087482823","1.233541609","0.973255345","0.713019746","0.001074288","1.189231995","0.291074255","0.05460535","14.66346221","507.431248","0.030943224","0.052640102","1.726773929","-3.1101"
-"UMLCN0394","L","hexyl laurate","CCCCCCCCCCCC(=O)OCCCCCC","C18H36O2","Esters","","BioCompoundML (2016)","Unknown","74","0.842105263","0.09217247","1.258263929","0.984503303","0.718847005","0.001018456","2.60659174","0.273633486","0.05910975","17.53710327","542.1715687","0.026700387","0.056015102","1.942912319","-3.6861"
-"UMLCN0395","L","hexyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","72","0.857142857","0.095819973","1.278777235","0.995731077","0.72549281","9.62E-04","5.979042878","0.259182046","0.062554291","20.44538803","654.8627879","0.022457551","0.058709544","2.189379529","-4.2621"
-"UMLCN0396","L","hexyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC","C24H46O2","Esters","Olefins","BioCompoundML (2016)","Unknown","102","0.84","0.08957047","1.292568888","1.02942866","0.745166817","8.60E-04","7.433701686","0.303131189","0.057512405","22.63091473","719.7786541","0.0081488","0.061081972","1.747895437","-3.2831"
-"UMLCN0397","L","hexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","87","0.869565217","0.098737976","1.296074675","1.006787279","0.732656799","9.09E-04","8.188097103","0.24700142","0.065273665","23.37574303","680.9520786","0.018214714","0.060910173","2.434397881","-4.8381"
-"UMLCN0398","L","isobutyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(C)C","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","99","0.826086957","0.096229397","1.265254875","1.000824571","0.727412385","9.09E-04","11.87746494","0.266638264","0.07180182","21.51240615","677.4880309","0.018109849","0.060910173","2.507516524","-3.7405"
-"UMLCN0399","L","isopropyl decanoate","CCCCCCCCCC(=O)OC(C)C","C13H26O2","Esters","","BioCompoundML (2016)","Unknown","46.6","0.714285714","0.090174491","1.118061252","0.880077983","0.666900978","0.001140207","0.420427505","0.332522762","0.061026844","9.283351515","414.4986749","0.084438836","0.045608281","1.399611658","-1.9688"
-"UMLCN0400","L","linoleic acid","CCCCC/C=C\C/C=C\CCCCCCCC(=O)O","C18H32O2","Acids","Olefins","BioCompoundML (2016)","Unknown","31","0.736842105","0.084816529","1.215229251","0.630074596","0.375104331","-0.001746534","4.559990794","0.415912636","0.055204014","13.20308447","464.5728066","0.085449908","-0.089073254","1.160856307","-0.9485"
-"UMLCN0401","L","methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate","CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC","C23H34O2","Esters","Olefins","NREL (2014)","IQT","24.4","0.625","0.064105443","1.213283728","1.037136249","0.82639392","8.50E-04","1.459938842","0.42712169","0.040748401","10.70516416","443.9569965","-0.015017693","0.049273151","1.286276532","1.0022"
-"UMLCN0402","L","methyl arachidate","CCCCCCCCCCCCCCCCCCCC(=O)OC","C21H42O2","Esters","","BioCompoundML (2016)","Unknown","100","0.863636364","0.114688661","1.299431857","1.03570222","0.760239248","9.35E-04","8.818687752","0.243936019","0.080668235","23.88934032","648.9518895","0.002318416","0.059862707","2.963533976","-4.7987"
-"UMLCN0403","L","methyl butanoate","CCCC(=O)OC","C5H10O2","Esters","","BioCompoundML (2016)","Unknown","6.4","0.5","0.102062073","0.924401966","1.00375449","0.80377128","-9.38E-04","0","0.521934406","0","1.405925926","173.9206473","0.034969424","-0.015005232","0.794692647","-0.1907"
-"UMLCN0404","L","methyl erucate","CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC","C23H44O2","Esters","Olefins","BioCompoundML (2016)","Unknown","74.2","0.833333333","0.103009336","1.295827474","1.057788115","0.773235536","8.84E-04","8.272003903","0.302861653","0.070469519","23.08893428","719.0981393","-0.007747792","0.060103407","1.951986187","-3.2437"
-"UMLCN0405","L","methyl gamma-linolenate","CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC","C19H32O2","Esters","Olefins","BioCompoundML (2016)","Unknown","29.2","0.7","0.071120693","1.218602227","1.087849054","0.787709735","9.59E-04","1.529983014","0.434759758","0.044687843","10.7482315","479.3956998","-0.010676526","0.049867335","1.101217509","0.6967"
-"UMLCN0406","L","methyl gondoate","CCCCCCCCC=CCCCCCCCCCC(=O)OC","C21H40O2","Esters","Olefins","BioCompoundML (2016)","Unknown","73.2","0.818181818","0.100565928","1.27927899","1.049828843","0.767807141","9.33E-04","0.993412878","0.319428584","0.068361422","20.16752476","664.5922431","-0.003504955","0.057854331","1.743626531","-2.6677"
-"UMLCN0407","L","methyl petroselinate","CCCCCCCCCCC/C=C\CCCCC(=O)OC","C19H36O2","Esters","Olefins","BioCompoundML (2016)","Unknown","58.6","0.8","0.097931567","1.259804326","1.041296922","0.76320978","9.84E-04","5.120566682","0.338950147","0.066464885","17.44484551","604.7470301","0.001294004","0.055108767","1.514713972","-2.0917"
-"UMLCN0408","L","methyl ricinoleate","CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O","C19H36O3","Esters","Olefins","NREL (2014)","IQT","37.4","0.761904762","0.086516063","1.211525614","0.911128216","0.774805918","-9.46E-04","4.50928809","0.386515786","0.05681101","13.93428281","609.3717981","6.73E-04","-0.053900799","1.122748543","-2.3144"
-"UMLCN0409","L","methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate","CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC","C21H34O2","Esters","Olefins","BioCompoundML (2016)","Unknown","29.6","0.681818182","0.066071803","1.223434083","1.110528831","0.800364219","9.09E-04","3.476527418","0.43538203","0.040861671","10.47571616","560.0663831","-0.018990006","0.05088","1.225864965","1.5149"
-"UMLCN0410","L","methyl-9-decenoate","COC(=O)CCCCCCCC=C","C11H20O2","Esters","Olefins","BioCompoundML (2016)","Unknown","38.3","0.75","0.089592919","1.159038377","1.013263635","0.769999265","0.001041001","0.022944447","0.472253067","0.059775105","7.446147408","365.8057559","0.01562913","0.033312029","0.894235606","-0.4309"
-"UMLCN0411","L","octadecyl acetate","CCCCCCCCCCCCCCCCCCOC(=O)C","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","90","0.857142857","0.111859299","1.278777235","0.954123237","0.72549281","9.62E-04","9.003169827","0.249981051","0.078515726","22.55517709","644.6250247","0.052500713","0.058709544","2.780287039","-4.6263"
-"UMLCN0412","L","octyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","84","0.857142857","0.095819973","1.278777235","0.99570841","0.72549281","9.62E-04","3.027775742","0.259182046","0.063464521","20.32536011","606.1589061","0.022471913","0.058709544","2.206240522","-4.2621"
-"UMLCN0413","L","octyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","71","0.869565217","0.098737976","1.296074675","1.006765251","0.732656799","9.09E-04","6.248418118","0.24700142","0.066088081","23.23458125","698.4569184","0.018229076","0.060910173","2.432313918","-4.8381"
-"UMLCN0414","L","octyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC","C26H50O2","Esters","Olefins","NREL (2014)","Blend","131","0.851851852","0.092522931","1.306607231","1.03844061","0.751938232","8.16E-04","8.16400219","0.289521927","0.060870048","25.41365083","775.3915608","0.003920326","0.06280522","1.941770665","-3.8591"
-"UMLCN0415","L","octyl valerate","CCCCCCCCOC(=O)CCCC","C13H26O2","Esters","","BioCompoundML (2016)","Unknown","49","0.785714286","0.079715452","1.185193938","0.957689001","0.706959948","0.001140207","7.22E-07","0.325267774","0.053402369","10.66073261","383.5825643","0.036905551","0.045608281","1.335485061","-2.2461"
-"UMLCN0416","L","pentyl pentanoate","CCCCCOC(=O)CCCC","C10H20O2","Esters","","BioCompoundML (2016)","Unknown","28.2","0.727272727","0.059998321","1.115199234","0.944381833","0.707376841","0.001106637","0","0.374698735","0.038524764","6.539302564","330.6907186","0.043150041","0.03430575","1.3125","-1.3821"
-"UMLCN0417","L","Perhydro-phenanthrene","C1CCC2C(C1)CCC3C2CCCC3","C14H24","Naphthenes","","BioCompoundML (2016)","Unknown","38.8","0","0.0746913","1.295209751","1.286010069","1.295209751","4.73E-04","0","0.241513207","0.049571979","15.68351852","400.7621429","-0.014871884","0.018920244","2.052631579","-0.8428"
-"UMLCN0418","L","propyl laurate","CCCCCCCCCCCC(=O)OCCC","C15H30O2","Esters","","BioCompoundML (2016)","Unknown","71","0.8125","0.092932664","1.219173087","0.966691369","0.710553792","0.001100253","2.101288763","0.301225647","0.066947454","13.70700296","454.9838886","0.033824375","0.050611629","1.512629445","-2.8221"
-"UMLCN0419","L","propyl myristate","CCCCCCCCCCCCCC(=O)OCCC","C17H34O2","Esters","","BioCompoundML (2016)","Unknown","71","0.833333333","0.097208309","1.246506235","0.977904105","0.715806403","0.001046688","5.684681938","0.281924232","0.070246053","16.61319134","543.9638145","0.029581538","0.054427796","1.849660846","-3.3981"
-"UMLCN0420","L","tetradecyl acetate","CCCCCCCCCCCCCCOC(=O)C","C16H32O2","Esters","","BioCompoundML (2016)","Unknown","81","0.823529412","0.107816006","1.233541609","0.928729987","0.713019746","0.001074288","3.834872786","0.280564411","0.075224853","16.66552449","511.7498744","0.060986387","0.052640102","2.17258381","-3.4743"
-"UMLCN0421","L","triethyleneglycol dimethyl ether","COCCOCCOCCOC","C8H18O4","Ethers","","BioCompoundML (2016)","Unknown","120","0.818181818","0.046597781","1.371233169","1.94275111","1.924184845","-0.00361859","1.81E-55","0.31682177","0.029379932","3.768418997","467.7246912","-0.444384444","-0.104939111","1.983659167","-0.3422"
-"UMLCN0422","L","furan","C1=COC=C1","C4H4O","Cyclic Ethers","Aromatics","NREL (2014)","IQT","7","0","0","1.153369336","1.296964181","1.368574945","-0.003273284","0","0.579380164","0","0","187.5852255","-0.041071817","-0.029459556","0.888888889","-0.2605"
-"UMLCN0423","L","2,3,4-trimethylpentane","CC(C)C(C)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","14","0.285714286","0","1.128472222","0.958682833","1.128472222","-4.55E-04","0","0.251926141","0","0","287.5490266","0.003804151","-0.01136684","2.798396005","1.2792"
-"UMLCN0424","L","1,1,2,4-tetramethylcyclopentane","CC1CC(C(C1)(C)C)C","C9H18","Naphthenes","","Kubic (2016)","Unknown","34.2","0","0.092747278","1.043209877","0.83369504","1.043209877","7.59E-17","0","0.321877869","0.083333333","2.862268519","285.3525624","0.012994021","2.05E-15","1.504784833","1.5646"
-"UMLCN0425","L","1,1,2-Trimethylcyclohexane","CC1CCCCC1(C)C","C9H18","Naphthenes","","Kubic (2016)","Unknown","29","0","0.094461374","1.12345679","0.960408675","1.12345679","7.54E-17","0","0.315997857","0.072168784","5.808634259","293.7114242","0.007168135","2.03E-15","1.55090011","0.7896"
-"UMLCN0426","L","2,3,3-Trimethylpentane","CCC(C)(C)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","17","0.285714286","0","1.03443287","0.813451866","1.03443287","-4.55E-04","0","0.290833201","0","1.282407407","277.2037947","0.011691591","-0.01136684","1.787495278","1.794"
-"UMLCN0427","L","2,2,3-Trimethylpentane","CCC(C)C(C)(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","14","0.285714286","0","1.03443287","0.807150078","1.03443287","-4.55E-04","0","0.290833201","0","1.295138889","279.9442125","0.012622776","-0.01136684","1.903631817","1.4529"
-"UMLCN0428","L","3,4-Dimethylhexane","CCC(C)C(C)CC","C8H18","Alkanes","","Kubic (2016)","Unknown","20","0.428571429","0.166666667","1.222511574","1.112007843","1.222511574","-4.55E-04","0","0.287639068","0","2.656759259","277.4913159","-0.004383136","-0.01136684","1.885367308","-0.2066"
-"UMLCN0429","L","2,4-Dimethylhexane","CCC(C)CC(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","29","0.428571429","0.166666667","1.222511574","1.097051805","1.222511574","-4.55E-04","0","0.287639068","0","2.716944444","280.7697969","-0.002153772","-0.01136684","1.875187981","0.532"
-"UMLCN0430","L","3,3-Diethylpentane","CCC(CC)(CC)CC","C9H20","Alkanes","","Kubic (2016)","Unknown","17","0.5","0","1.169547325","1.054553482","1.169547325","-4.03E-04","0","0.272874018","0","5.375","307.1311299","-0.002033221","-0.011279905","3.03025969","0.8578"
-"UMLCN0431","L","2-Methyl-3-ethylpentane","CCC(CC)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","12","0.428571429","0","1.222511574","1.115791254","1.222511574","-4.55E-04","0","0.287639068","0","2.68287037","295.2242974","-0.004692776","-0.01136684","2.071603814","-0.2066"
-"UMLCN0432","L","n-butane","CCCC","C4H10","Alkanes","","NREL (2014)","IQT","20.6","0.333333333","0","1.327083333","1.282787775","1.327083333","-9.31E-04","0","0.30174094","0","2.638888889","199.2887299","-0.008541261","-0.0121","2.366034632","-0.4734"
-"UMLCN0433","L","2,2-Dimethylpentane","CCCC(C)(C)C","C7H16","Alkanes","","Kubic (2016)","Unknown","30","0.333333333","0","1.075680272","0.862060939","1.075680272","-5.22E-04","0","0.288748262","0","2.649305556","283.2328382","0.009954919","-0.01147693","2.024463564","1.3819"
-"UMLCN0434","L","3-methylhexane","CCCC(C)CC","C7H16","Alkanes","","NREL (2014)","IQT","42","0.5","0.204124145","1.290816327","1.209809405","1.290816327","-5.22E-04","0","0.293460064","0","4.082685185","281.5338257","-0.00794553","-0.01147693","1.505616978","-0.0844"
-"UMLCN0435","L","n-Propylcyclopentane","CCCC1CCCC1","C8H16","Naphthenes","","Kubic (2016)","Unknown","37","0.25","0.116153904","1.34765625","1.315803524","1.34765625","1.22E-16","0","0.277440701","0.087115428","8.932222222","301.3331898","-0.011866081","2.94E-15","1.431855332","-0.352"
-"UMLCN0436","L","2,2-Dimethylhexane","CCCCC(C)(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","40","0.428571429","0.176776695","1.128472222","0.940820702","1.128472222","-4.55E-04","0","0.281462171","0","4.073680556","307.4832173","0.007856318","-0.01136684","2.144177152","1.0939"
-"UMLCN0437","L","2,2-Dimethylheptane","CCCCCC(C)(C)C","C9H20","Alkanes","","Kubic (2016)","Unknown","49","0.5","0.125","1.169547325","1.002130298","1.169547325","-4.03E-04","0","0.272874018","0.125","5.522013889","330.7484454","0.005763874","-0.011279905","2.268636205","0.8059"
-"UMLCN0438","L","2-Methyloctane","CCCCCCC(C)C","C9H20","Alkanes","","Kubic (2016)","Unknown","39","0.625","0.141878476","1.336625514","1.263643703","1.336625514","-4.03E-04","0","0.270286537","0.102062073","7.074406652","312.3764443","-0.0108376","-0.011279905","2.246939981","-0.2722"
-"UMLCN0439","L","dioctyl sebacate ","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Esters","","Kubic (2016)","Unknown","70","0.862068966","0.082257987","1.211813354","0.952504837","0.704393922","0.001136176","3.005155201","0.26989944","0.05297937","23.01984977","785.1287064","0.074851162","0.089757877","2.346857575","-5.1708"
-"UMLCN0440","L","anisole","COC1=CC=CC=C1","C7H8O","Aromatics","Ethers","NREL (2014)","IQT","6","0.125","0.031637843","1.058821854","1.46756067","1.56891362","0.001149188","0","0.562903618","0.017887515","0","152.5788921","-0.03926932","0.018387","0.547180469","0.9048"
-"UMLCN0441","L","4-methylanisole","CC1=CC=C(C=C1)OC","C8H10O","Aromatics","Ethers","NREL (2014)","IQT","7.4","0.111111111","0.031304156","0.932050142","1.402294629","1.476813839","0.001589629","0","0.60959569","0.023195138","0","158.3216335","-0.028367172","0.030202947","0.605777632","1.3512"
-"UMLCN0442","L","guaiacol","COC1=CC=CC=C1O","C7H8O2","Aromatics","Ethers","NREL (2014)","IQT","19.3","0.111111111","0.02738793","0.901932449","1.126969003","1.166553341","-0.011895114","0","0.672529673","0.014974663","0","191.982678","-0.092406075","-0.202216941","0.397346324","0.3417"
-"UMLCN0443","L","4-propylanisole","CCCC1=CC=C(C=C1)OC","C10H14O","Aromatics","Ethers","NREL (2014)","IQT","7.5","0.272727273","0.035563648","1.035515668","1.359647325","1.398441236","0.001813094","0","0.57604819","0.022487639","2.357463388","236.1993101","-0.034803163","0.04532736","0.540391","0.5349"
-"UMLCN0444","L","2-phenylethanol","C1=CC=C(C=C1)CCO","C8H10O","Aromatics","Alcohols","NREL (2014)","IQT","8","0.222222222","0.036814846","1.154236386","0.887566912","0.971829691","-0.00576995","0","0.613194895","0.023991604","1.004814815","155.5424039","-0.046341783","-0.109629053","0.421052632","1.0147"
-"UMLCN0445","L","4-methylguaiacol","CC1=CC(=C(C=C1)O)OC","C8H10O2","Aromatics","Ethers","NREL (2014)","IQT","19.8","0.1","0.029469599","0.801492506","1.079823679","1.091200465","-0.00824464","0","0.68741324","0.0158815","0","152.996634","-0.083683654","-0.1648928","0.57548875","0.7881"
-"UMLCN0446","L","4-propylphenol","CCCC1=CC=C(C=C1)O","C9H12O","Aromatics","Phenols","NREL (2014)","IQT","8.6","0.2","0.036277864","0.962328088","0.525486406","0.563708164","-0.004592529","0","0.636607945","0.023284257","2.255015117","159.7347612","0.025698373","-0.101035636","0.488858523","0.4704"
-"UMLCN0447","L","4-ethylguaiacol","CCC1=CC(=C(C=C1)O)OC","C9H12O2","Aromatics","Ethers","NREL (2014)","IQT","19.6","0.181818182","0.029528561","0.863606019","1.055885997","1.050025321","-0.0059698","0","0.658697443","0.019544698","0.955","188.0543127","-0.085634488","-0.137305391","0.587381522","0.453"
-"UMLCN0448","L","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","Aromatics","Ethers","NREL (2014)","IQT","18","0.25","0.031893814","0.914524587","1.046374178","1.021700287","-0.004464781","0","0.634002687","0.019822004","2.129533258","222.4045931","-0.089594706","-0.116084308","0.596529808","-0.0282"
-"UMLCN0449","L","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","Aromatics","Ethers","McCormick (2015)","Unknown","26","0.181818182","0.024435265","0.867445682","1.364955219","1.361661898","-0.013972082","0","0.633836448","0.013579731","0","186.7931023","-0.208146162","-0.293413714","0.929036905","-0.1569"
-"UMLCN0450","L","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","Aromatics","Ethers","NREL (2014)","IQT","25","0.166666667","0.027039772","0.7905551","1.325783881","1.287606729","-0.009969083","0","0.624822336","0.013440331","0","235.4765229","-0.201575602","-0.239258","1.011027604","0.2895"
-"UMLCN0451","L","furfural","C1=COC(=C1)C=O","C5H4O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","13.9","0.142857143","0.021019722","0.973159179","1.201363223","1.103582901","-0.009004959","0","0.737213794","0.009259259","0","97.78748732","-0.119244807","-0.099054545","-4.44E-16","-0.3787"
-"UMLCN0452","L","indan","C1CC2=CC=CC=C2C1","C9H10","Aromatics","Cyclic","NREL (2014)","IQT","8.6","0","0.040740456","1.055555556","1.022318269","1.055555556","3.28E-04","0","0.560035919","0.026506053","3.963981481","150.3972688","-0.011305978","0.006569529","1.157894737","0.849"
-"UMLCN0453","L","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","Naphthenes","","NREL (2014)","IQT","20.4","0","0.065965135","1.21875","1.199584093","1.21875","6.42E-04","0","0.28394772","0.044680209","9.534722222","288.0045575","-0.006604407","0.017962414","1.692307692","-0.4276"
-"UMLCN0454","L","cyclopentanone","C1CCC(=O)C1","C5H8O","Ketones","Cyclic","NREL (2014)","IQT","9","0","0.051031036","0.987470333","0.693378388","0.485067762","2.11E-17","0","0.47470093","0","3.969907407","216.5223127","-0.004816365","2.95E-16","1.428571429","-0.7702"
-"UMLCN0455","L","ocimene","CC(=CC/C=C(\C)/C=C)C","C10H16","Alkenes","","NREL (2014)","IQT","28","0.333333333","0.051781982","1.015625","1.168083726","1.015625","-3.59E-04","0","0.538355172","0.041989755","1.027962963","248.8621456","-0.010040434","-0.008981207","1.193059616","3.2403"
-"UMLCN0456","L","farnesene","CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C","C15H24","Alkenes","","NREL (2014)","IQT","32","0.428571429","0.056152287","1.060353535","1.229733033","1.060353535","-2.36E-04","1.55E-10","0.479343351","0.041945217","3.360601616","343.0007876","-0.017385836","-0.008981207","0.89793718","4.4725"
-"UMLCN0457","L","farnesol","CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C","C15H26O","Alkenes","Alcohols","NREL (2014)","IQT","24","0.466666667","0.060905979","1.094270008","0.939244918","0.91634043","-0.001910566","9.27E-17","0.433178777","0.045002239","4.613793917","358.4716588","-0.035665628","-0.078333224","1.262370238","3.5719"
-"UMLCN0458","L","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","Esters","Ketones","NREL (2014)","IQT","7.8","0.5","0.038951955","0.798747602","0.861095036","0.764380632","-0.003359222","0","0.538855238","0.035932185","0.48462963","179.6544712","0.08714185","-0.060465994","0.71104079","-0.1731"
-"UMLCN0459","L","methyl acetate","CC(=O)OC","C3H6O2","Esters","","NREL (2014)","IQT","19.5","0.25","0","0.739305305","1.003676005","0.927852659","-0.008020628","0","0.592424507","0","0","194.506465","0.070573457","-0.080206281","1.675330749","0.0211"
-"UMLCN0460","L","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","Aromatics","","NREL (2014)","IQT","10.1","0","0.035010083","0.810185185","0.92975357","0.810185185","8.85E-17","0","0.484501705","0.02749287","0","156.3629241","0.003180759","1.86E-15","1.155460119","2.7426"
-"UMLCN0461","L","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","Cycloalkenes","Cyclic","NREL (2014)","IQT","27","0","0.055854556","0.995710784","1.057168222","0.995710784","3.33E-04","0","0.471380398","0.036957351","2.72337963","286.7015492","1.06E-04","0.008981207","1.087102404","2.1434"
-"UMLCN0462","L","caryophyllene","C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C","C15H24","Cycloalkenes","Alkenes","NREL (2014)","IQT","29","0","0.05851218","1.05625","1.033981127","1.05625","2.25E-04","0","0.477280929","0.038908983","6.481494237","351.2281934","-0.00174449","0.008981207","0.87858109","3.2289"
-"UMLCN0463","L","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","Naphthenes","","NREL (2014)","IQT","30.5","0","0.097140452","1.2578125","1.164805064","1.2578125","1.22E-16","0","0.309336409","0.090236893","5.899814815","288.0823119","-0.003697588","2.94E-15","1.479573959","0.5524"
-"UMLCN0464","L","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","Naphthenes","","NREL (2014)","IQT","24","0","0.102437739","1.2578125","1.171936794","1.2578125","1.22E-16","0","0.309336409","0.083333333","5.90212963","282.6231729","-0.004656838","2.94E-15","2.300803373","0.202"
-"UMLCN0465","L","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","Aromatics","","NREL (2014)","IQT","7.6","0.25","0.046153348","1.006944444","0.97673294","1.006944444","9.10E-17","0","0.44039377","0.030991395","3.460833333","312.9240631","-0.001761443","2.73E-15","2.260451251","1.7373"
-"UMLCN0466","L","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","Naphthenes","","NREL (2014)","IQT","42.7","0.071428571","0.064925962","1.205555556","1.15098002","1.205555556","5.45E-04","0","0.290262641","0.043858006","9.478407029","342.3039431","-0.00462671","0.018528125","1.586090234","-1.4552"
-"UMLCN0467","L","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","Alkenes","","NREL (2014)","IQT","27","0.375","0.083333333","1.128472222","1.209397107","1.128472222","-4.05E-04","0","0.412013442","0.083333333","2.621157407","300.0558705","-0.004966953","-0.010540444","1.148872223","1.7085"
-"UMLCN0468","L","4-heptanol","CCCC(CCC)O","C7H16O","Alcohols","","NREL (2014)","IQT","21","0.571428571","0.144337567","1.220490985","0.753167158","0.817007446","-0.0037029","0","0.376554707","0.144337567","4.128981481","260.9217299","-0.006215373","-0.085166694","1.562907292","-1.5601"
-"UMLCN0469","L","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","Naphthenes","","NREL (2014)","IQT","48.6","0.133333333","0.063977289","1.17357002","1.092423069","1.17357002","5.06E-04","0","0.293343825","0.043739912","12.57348498","348.7859978","8.99E-04","0.01874048","1.679828215","-0.3116"
-"UMLCN0470","L","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","Naphthenes","","NREL (2014)","IQT","49.1","0.1875","0.065392263","1.195578231","1.122491195","1.195578231","4.73E-04","0","0.281303694","0.043186047","14.09725694","385.7486352","-0.001159688","0.018920244","1.983791526","-0.5996"
-"UMLCN0471","L","4-nonanone","CCCCCC(=O)CCC","C9H18O","Ketones","","NREL (2014)","IQT","43","0.666666667","0.095561546","1.140925609","0.842821178","0.554275233","-1.64E-04","0","0.353233212","0.072576933","6.097763133","270.7671867","-0.015349013","-0.004431755","1.084447428","-1.2436"
-"UMLCN0472","L","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","Ketones","","NREL (2014)","IQT","49","0.727272727","0.088201933","1.198526855","0.873638322","0.573140153","-1.61E-04","1.32E-37","0.320028156","0.066619824","8.668195232","340.7015099","-0.018852551","-0.005320415","1.977037675","-1.8196"
-"UMLCN0473","L","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","Esters","","NREL (2014)","IQT","31","0.727272727","0.060223343","1.115199234","0.944295407","0.707376841","0.001106637","2.21E-45","0.374698735","0.041544152","6.521177091","319.9801293","0.043187367","0.03430575","1.125","-1.3821"
-"UMLCN0474","L","2-heptanol","CCCCCC(C)O","C7H16O","Alcohols","","NREL (2014)","IQT","25","0.571428571","0.117741619","1.220490985","0.729790073","0.817007446","-0.0037029","0","0.376554707","0.104443645","4.638518519","246.1654401","0.006261261","-0.085166694","1.578095958","-1.5601"
-"UMLCN0475","L","4-nonanol","CCCCCC(CCC)O","C9H20O","Alcohols","","NREL (2014)","IQT","28","0.666666667","0.1114698","1.27233055","0.771544805","0.822042597","-0.002735674","0","0.332772314","0.085210663","6.78767054","312.4166714","-0.010069156","-0.07933456","1.35849625","-2.1361"
-"UMLCN0476","L","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","Esters","","NREL (2014)","IQT","42.2","0.727272727","0.087918134","1.115199234","0.93071292","0.707376841","0.001106637","3.58E-41","0.374698735","0.057797369","7.022789746","337.3254596","0.053438547","0.03430575","1.034981734","-1.0923"
-"UMLCN0477","L","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","Esters","","NREL (2014)","IQT","29","0.727272727","0.071952879","1.115199234","0.945802708","0.707376841","0.001106637","0","0.374698735","0.042047721","6.716109536","299.9651161","0.042378216","0.03430575","0.948891499","-1.3821"
-"UMLCN0478","L","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","Esters","","NREL (2014)","IQT","40","0.769230769","0.070959448","1.164898456","0.952096227","0.706102887","0.001147958","0.158448629","0.339636135","0.041720683","9.148326933","425.7306704","0.039371555","0.04247446","1.578267591","-1.9581"
-"UMLCN0479","L","pentyl acetate","CCCCCOC(=O)C","C7H14O2","Esters","","NREL (2014)","IQT","23.6","0.625","0.063681169","1.004347089","0.884576556","0.724184541","6.00E-04","0","0.441976334","0.040965135","3.896625094","247.6861264","0.079959346","0.013204083","0.972370782","-0.8823"
-"UMLCN0480","L","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","18.4","0.333333333","0.032705547","1.075874192","1.575018004","1.501252084","-0.00138841","0","0.672826562","0.019048026","1.323611111","231.8320709","-0.12259862","-0.026379789","0.460783553","0.0239"
-"UMLCN0481","L","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","Cyclic Ethers","Ethers","NREL (2014)","IQT","78.9","0.333333333","0.054398687","1.236649846","1.644542599","1.577467039","0.001167183","0","0.403530294","0.034463618","4.908573318","320.6733005","-0.147979535","0.026845217","0.761294565","-0.5587"
-"UMLCN0482","L","dibutyl fumarate","CCCCOC(=O)/C=C/C(=O)OCCCC","C12H20O4","Esters","Olefins","Jenkins (2013)","CFR","23","0.666666667","0.032736138","0.983509409","0.821997878","0.762668053","-8.02E-04","0.629969234","0.478508177","0.021972985","4.391142452","350.2156515","0.16124835","-0.028080444","1.59749375","-0.954"
diff --git a/tests/use_project_tool/cn_test_results.csv b/tests/use_project_tool/cn_test_results.csv
deleted file mode 100644
index 2998294..0000000
--- a/tests/use_project_tool/cn_test_results.csv
+++ /dev/null
@@ -1,7 +0,0 @@
-"DATAID","ASSIGNMENT","STRING","STRING","TARGET","RESULT"
-"DATAID","ASSIGNMENT","Compound Name","SMILES","TARGET","Result"
-"0001","L","","CCO","0","71.83238"
-"0002","L","","CCCCCCCC=O","0","51.38309"
-"0003","L","","CCCCCC=O","0","87.28115"
-"0004","L","","CCCCC=O","0","48.253014"
-"0005","L","","CCCC=O","0","59.866043"
diff --git a/tests/use_project_tool/config.yml b/tests/use_project_tool/config.yml
deleted file mode 100644
index 957c8d0..0000000
--- a/tests/use_project_tool/config.yml
+++ /dev/null
@@ -1,13 +0,0 @@
----
-beta_1: 0.9
-beta_2: 0.999
-decay: 0.0
-epochs: 10000
-epsilon: 1.0e-07
-hidden_layers:
-- - 32
-  - relu
-- - 32
-  - relu
-learning_rate: 0.001
-output_activation: linear
diff --git a/tests/use_project_tool/model.prj b/tests/use_project_tool/model.prj
deleted file mode 100644
index 04d9b87fa8c2c7057189a2d54abe0e135e57963b..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/tests/use_project_tool/mols_smiles.txt b/tests/use_project_tool/mols_smiles.txt
deleted file mode 100644
index 58b0f0c..0000000
--- a/tests/use_project_tool/mols_smiles.txt
+++ /dev/null
@@ -1,5 +0,0 @@
-CCO
-CCCCCCCC=O
-CCCCCC=O
-CCCCC=O
-CCCC=O
\ No newline at end of file
diff --git a/tests/use_project_tool/test.py b/tests/use_project_tool/test.py
deleted file mode 100644
index 9f5547c..0000000
--- a/tests/use_project_tool/test.py
+++ /dev/null
@@ -1,23 +0,0 @@
-from ecnet import Server
-from ecnet.tools.project import predict
-
-
-def prj_predict():
-
-    sv = Server()
-    sv.create_project('model', 1, 1)
-    sv.load_data('cn_model_v2.0.csv', random=True, split=[0.7, 0.2, 0.1])
-    sv.train(validate=True)
-    sv.save_project()
-
-    predict(
-        'mols_smiles.txt',
-        'cn_test_results.csv',
-        'model.prj',
-        form='smiles'
-    )
-
-
-if __name__ == '__main__':
-
-    prj_predict()

From e767b23affb82cb6ef2300f245eb76b0b49b8671 Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Mon, 3 Jun 2019 17:46:21 -0400
Subject: [PATCH 6/7] Addition of new unit tests

---
 tests/cn_model_v1.0.csv                  | 484 +++++++++++++++++++++++
 tests/cn_model_v2.0.csv                  | 484 +++++++++++++++++++++++
 tests/models/test_mlp.py                 |  36 ++
 tests/tasks/test_limit_inputs.py         |  21 +
 tests/tasks/test_remove_outliers.py      |  20 +
 tests/tasks/test_tune_hyperparameters.py |  35 ++
 tests/test_all.py                        |  17 +
 tests/tools/test_conversions.py          |  66 ++++
 tests/tools/test_database.py             |  26 ++
 tests/tools/test_project.py              |  34 ++
 tests/utils/test_data_utils.py           | 136 +++++++
 tests/utils/test_error_utils.py          |  41 ++
 tests/utils/test_server_utils.py         | 192 +++++++++
 13 files changed, 1592 insertions(+)
 create mode 100644 tests/cn_model_v1.0.csv
 create mode 100644 tests/cn_model_v2.0.csv
 create mode 100644 tests/models/test_mlp.py
 create mode 100644 tests/tasks/test_limit_inputs.py
 create mode 100644 tests/tasks/test_remove_outliers.py
 create mode 100644 tests/tasks/test_tune_hyperparameters.py
 create mode 100644 tests/test_all.py
 create mode 100644 tests/tools/test_conversions.py
 create mode 100644 tests/tools/test_database.py
 create mode 100644 tests/tools/test_project.py
 create mode 100644 tests/utils/test_data_utils.py
 create mode 100644 tests/utils/test_error_utils.py
 create mode 100644 tests/utils/test_server_utils.py

diff --git a/tests/cn_model_v1.0.csv b/tests/cn_model_v1.0.csv
new file mode 100644
index 0000000..b86906e
--- /dev/null
+++ b/tests/cn_model_v1.0.csv
@@ -0,0 +1,484 @@
+DATAID,ASSIGNMENT,STRING,STRING,STRING,STRING,STRING,STRING,STRING,GROUP,TARGET,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT,INPUT
+DATAID,ASSIGNMENT,Compound Group,CG2,Compound Name,SMILES,Formula,Source,Method,Null,CN (Exp),PHI,piPC05,RDF035v,MAXDP,nHDon,EEig10d,EEig15d,nHAcc,BIC1,BELe2,H5u,ESpm06u,EEig13r,N-066,DELS
+UMLCN0001,L,Cyclic Ethers,Aromatics,"5,5'-(furan-2-ylmethylene)bis(2-methylfuran)",CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C,C15H14O3,Kessler (2017),IQT,0,25.5,2.878,5.241,5.834,2.213,0,0.274,-1.618,3,0.505,1.478,0.259,7.51,-0.317,0,12.858
+UMLCN0002,L,Cyclic Ethers,Aromatics,2-butylfuran,CCCCC1=CC=CO1,C8H12O,Marquardt (2015),IQT,0,13.1,2.525,3.234,0.716,1.636,0,0,0,1,0.575,1.381,0.22,5.911,0,0,3.685
+UMLCN0003,L,Cyclic Ethers,,tetrahydropyran,C1CCOCC1,C5H10O,Marquardt (2015),IQT,0,38.2,1.507,1.946,1.43,1.569,0,0,0,1,0.375,1.019,0,4.89,0,0,3.139
+UMLCN0004,L,Cyclic Ethers,Aromatics,"2,5-dimethylfuran",CC1=CC=C(C)O1,C6H8O,Marquardt (2015),IQT,0,10.9,0.989,3.204,0.431,1.583,0,0,0,1,0.567,1.421,0,6.057,0,0,3.167
+UMLCN0005,L,Cyclic Ethers,Olefins,"2,5-dihydrofuran",C1C=CCO1,C4H6O,Marquardt (2015),IQT,0,15.6,0.712,0,0.13,1.333,0,0,0,1,0.61,1.116,0,4.615,0,0,2.722
+UMLCN0006,L,Cyclic Ethers,Aromatics,tris(5-methylfuran-2-yl)methane,CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C,C16H16O3,Kessler (2017),IQT,0,22.3,3.109,5.332,6.021,2.253,0,0.329,-1.045,3,0.471,1.478,0.335,7.597,0.146,0,13.518
+UMLCN0007,L,Cyclic Ethers,,2-butyltetrahydrofuran,CCCCC1CCCO1,C8H16O,Marquardt (2015),IQT,0,45.5,3.055,2.197,0.733,1.955,0,0,0,1,0.349,1.417,0.277,5.911,0,0,4.372
+UMLCN0008,L,Cyclic Ethers,,tris(5-methyltetrahydrofuran-2-yl)methane,CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3,C16H28O3,Kessler (2017),IQT,0,59.8,4.16,4.06,4.84,2.659,0,0.492,-1.07,3,0.326,1.502,0.827,7.597,0.128,0,17.079
+UMLCN0009,L,Cyclic Ethers,,"5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)",CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3,C15H26O3,Kessler (2017),IQT,0,60.4,3.924,3.97,5.209,2.623,0,0.402,-1.074,3,0.346,1.502,0.828,7.51,-0.346,0,16.136
+UMLCN0010,L,Cyclic Ethers,Aromatics,furfuryl alcohol,C1=COC(=C1)CO,C5H6O2,NREL (2014),IQT,0,10.3,1.245,2.883,0.349,2.333,1,0,0,2,0.766,1.288,0,5.778,0,0,7.131
+UMLCN0011,L,Cyclic Ethers,Olefins,"3,4-dihydro-2H-pyran",C1CC=COC1,C5H8O,Marquardt (2015),IQT,0,23.9,1.28,2.485,1.127,1.389,0,0,0,1,0.654,0.984,0,4.89,0,0,2.868
+UMLCN0012,L,Cyclic Ethers,,eucalyptol,CC1(C2CCC(O1)(CC2)C)C,C10H18O,Marquardt (2015),IQT,0,18.8,1.387,3.664,7.895,2.56,0,-1.277,0,1,0.359,1.364,0.584,7.969,0,0,6.633
+UMLCN0013,L,Cyclic Ethers,,2-methyltetrahydrofuran,CC1CCCO1,C5H10O,NREL (2014),IQT,0,21.3,1.105,1.099,0.729,1.653,0,0,0,1,0.45,1.299,0.097,5.565,0,0,3.542
+UMLCN0014,L,Cyclic Ethers,Olefins,"2,3-dihydrofuran",C1COC=C1,C4H6O,Marquardt (2015),IQT,0,20,0.712,0,0.19,1.264,0,0,0,1,0.711,1.142,0,4.615,0,0,2.556
+UMLCN0015,L,Cyclic Ethers,Aromatics,2-ethylfuran,CCC1=CC=CO1,C6H8O,Marquardt (2015),IQT,0,10.2,1.273,2.883,0.661,1.483,0,0,0,1,0.65,1.325,0.067,5.778,0,0,3.102
+UMLCN0016,L,Cyclic Ethers,,tetrahydrofuran,C1CCOC1,C4H8O,Marquardt (2015),IQT,0,21.9,0.893,0,0.125,1.444,0,0,0,1,0.418,1.182,0,4.615,0,0,2.889
+UMLCN0017,L,Alkanes,,7-butyltridecane,CCCCCCC(CCCC)CCCCCC,C17H36 ,NREL (2014),Unknown,0,36,14.063,2.833,2.364,0.325,0,-0.709,-1.908,0,0.214,1.612,1.365,6.116,-0.497,0,1.893
+UMLCN0018,L,Cyclic Ethers,Olefins,rose oxide,CC1CCOC(C1)C=C(C)C,C10H18O,NREL (2014),IQT,0,30,3.128,3.219,4.93,2.083,0,-1.524,0,1,0.474,1.538,0.429,6.454,0,0,5.74
+UMLCN0019,L,Cyclic Ethers,,2-ethyltetrahydrofuran,CCC1CCCO1,C6H12O,Marquardt (2015),IQT,0,28.1,1.688,1.609,0.733,1.802,0,0,0,1,0.408,1.351,0.141,5.778,0,0,3.957
+UMLCN0020,L,Alkanes,,"2,7-dimethyl-4,5-diethyloctane",CCC(CC(C)C)C(CC)CC(C)C,C14H30,NREL (2014),Unknown,0,39,7.313,2.833,9.092,0.357,0,-1,0,0,0.258,1.578,0.926,6.73,-0.895,0,4.244
+UMLCN0021,L,Cyclic Ethers,Aromatics,2-methylfuran,CC1=CC=CO1,C5H6O,NREL (2014),IQT,0,9,0.766,2.409,0.241,1.333,0,0,0,1,0.681,1.287,0,5.565,0,0,2.667
+UMLCN0022,L,Cycloalkenes,Olefins,bisabolene,CC1=CCC(=C(C)CCC=C(C)C)CC1,C15H24,NREL (2014),IQT,0,32.2,4.873,4.078,8.04,0.392,0,-0.434,-1.638,0,0.381,1.666,1.36,6.825,-0.7,0,3.31
+UMLCN0023,L,Cycloalkenes,Olefins,limonene,CC1=CCC(CC1)C(=C)C,C10H16,Marquardt (2015),IQT,0,18.9,2.311,3.434,5.955,0.975,0,-1.819,0,0,0.507,1.471,0.956,6.532,0,0,3.359
+UMLCN0024,L,Olefins,Cyclic,beta-pinene,CC1(C2CCC(=C)C1C2)C,C10H16,NREL (2014),IQT,0,21.3,1.073,3.611,8.475,1.129,0,-1.823,0,0,0.503,1.342,0.619,7.87,0,0,3.853
+UMLCN0025,L,Cycloalkenes,,alpha-pinene,CC1=CCC2CC1C2(C)C,C10H16,NREL (2014),IQT,0,23.1,1.073,3.892,6.278,0.435,0,-1.777,0,0,0.493,1.341,0.48,7.87,0,0,3.132
+UMLCN0026,L,Alcohols,Olefins,beta-citronellol,CC(CCC=C(C)C)CCO,C10H20O,Marquardt (2015),IQT,0,25.6,6.24,2.398,3.61,2.63,1,-1.786,0,1,0.485,1.553,1.109,5.916,0,0,6.641
+UMLCN0027,L,Alcohols,Olefins,Linolenyl alcohol ,CCC=CCC=CCC=CCCCCCCCCO,C18H32O,NREL (2014),Other Ignition Delay Method,0,41,16.442,3.466,7.11,2.652,1,0.139,-1.327,1,0.42,1.672,1.359,5.759,-0.11,0,8.586
+UMLCN0028,L,Alcohols,Ethers,3-methoxy-3-methyl-1-butanol,CC(C)(CCO)OC,C6H14O2,Marquardt (2015),IQT,0,10,3.02,0.693,1.761,2.453,1,0,0,2,0.497,1.108,0.553,6.969,0,0,7.942
+UMLCN0029,L,Alcohols,,"3,7-dimethyl-1-octanol",CC(C)CCCC(C)CCO,C10H22O,Marquardt (2015),IQT,0,29.3,6.634,1.946,2.733,2.645,1,-1.893,0,1,0.36,1.554,1.025,5.916,0,0,6.77
+UMLCN0030,L,Alcohols,,methanol,CO,CH4O,NREL (2014),Unknown,0,5,0.981,0,0,1,1,0,0,1,0,0,0,0,0,0,2
+UMLCN0031,L,Cyclic Ethers,Alcohols,tetrahydrofurfuryl alcohol,C1CC(OC1)CO,C5H10O2,Marquardt (2015),IQT,0,17.9,1.655,1.609,0.371,2.441,1,0,0,2,0.532,1.3,0.132,5.778,0,0,7.986
+UMLCN0032,L,Alcohols,,isobutanol,CC(C)CO,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,1.26,2.144,1,0,0,1,0.492,0.784,0.03,4.762,0,0,4.287
+UMLCN0033,L,Alcohols,,2-nonanol,CCCCCCCC(C)O,C9H20O,NREL (2014),IQT,0,39.6,7.045,1.792,0.525,2.909,1,0,0,1,0.336,1.506,0.54,5.407,0,0,6.252
+UMLCN0034,L,Alcohols,,2-butanol,CCC(C)O,C4H10O,NREL (2014),IQT,0,8.5,2.196,0,0.634,2.361,1,0,0,1,0.492,1.025,0.109,4.762,0,0,4.722
+UMLCN0035,L,Alcohols,Olefins,oleyl alcohol,CCCCCCCCC=CCCCCCCCCO,C18H36O,NREL (2014),Other Ignition Delay Method,0,51,17.423,2.996,2.866,2.661,1,-0.07,-1.515,1,0.322,1.666,1.721,5.759,-0.11,0,7.379
+UMLCN0036,L,Alcohols,,pentan-1-ol,CCCCCO,C5H12O,NREL (2014),CFR,0,18.2,4.929,0.693,0.342,2.197,1,0,0,1,0.438,1.199,0,4.043,0,0,4.636
+UMLCN0037,L,Alcohols,,nonan-1-ol,CCCCCCCCCO,C9H20O,NREL (2014),CFR,0,45,8.926,1.792,0.342,2.469,1,0,0,1,0.321,1.506,0.6,4.92,0,0,5.398
+UMLCN0038,L,Alcohols,Olefins,palmitoleyl alcohol,CCCCCCC=CCCCCCCCCO,C16H32O,NREL (2014),Other Ignition Delay Method,0,46,15.425,2.89,2.866,2.634,1,-0.357,-1.806,1,0.345,1.649,1.376,5.624,-0.49,0,7.236
+UMLCN0039,L,Alcohols,,1-heptanol,CCCCCCCO,C7H16O,NREL (2014),IQT,0,29,6.927,1.386,0.342,2.366,1,0,0,1,0.367,1.398,0.208,4.575,0,0,5.118
+UMLCN0040,L,Alcohols,,1-decanol,CCCCCCCCCCO,C10H22O,NREL (2014),CFR,0,50,9.926,1.946,0.342,2.507,1,-1.912,0,1,0.304,1.542,0.788,5.056,0,0,5.498
+UMLCN0041,L,Alcohols,Cyclic,cyclohexanol,C1CCC(CC1)O,C6H12O,Marquardt (2015),IQT,0,16.3,1.688,2.197,2.389,2.909,1,0,0,1,0.385,1.026,0,5.638,0,0,5.818
+UMLCN0042,L,Alcohols,,hexan-1-ol,CCCCCCO,C6H14O,NREL (2014),CFR,0,23.3,5.928,1.099,0.342,2.293,1,0,0,1,0.398,1.315,0.103,4.344,0,0,4.914
+UMLCN0043,L,Alcohols,,tetradecan-1-ol,CCCCCCCCCCCCCCO,C14H30O,NREL (2014),CFR,0,80.8,13.925,2.398,0.342,2.61,1,-0.942,0,1,0.257,1.627,1.33,5.468,-0.832,0,5.76
+UMLCN0044,L,Alcohols,Olefins,linoleyl alcohol,CCCCCC=CCC=CCCCCCCCCO,C18H34O,NREL (2014),Other Ignition Delay Method,0,44,16.929,3.296,5.014,2.655,1,0.132,-1.39,1,0.381,1.668,1.445,5.759,-0.11,0,8.27
+UMLCN0045,L,Alcohols,,2-ethyl-1-hexanol,CCCCC(CC)CO,C8H18O,NREL (2014),IQT,0,23.5,6.06,1.609,1.856,2.753,1,0,0,1,0.385,1.424,0.366,5.638,0,0,6.145
+UMLCN0046,L,Alcohols,,Isopentanol ,CC(C)CCO,C5H12O,NREL (2014),IQT,0,13.1,3.142,0,1.439,2.237,1,0,0,1,0.476,1.089,0.206,4.963,0,0,4.847
+UMLCN0047,L,Alcohols,,1-propanol,CCCO,C3H8O,NREL (2014),Unknown,0,12,2.932,0,0.342,1.875,1,0,0,1,0.563,0.779,0,2.833,0,0,3.75
+UMLCN0048,L,Alcohols,,1-butanol,CCCCO,C4H10O,NREL (2014),IQT,0,12,3.93,0,0.342,2.066,1,0,0,1,0.492,1.031,0,3.611,0,0,4.236
+UMLCN0049,L,Alcohols,Olefins,nerolidol,CC(=CCCC(=CCCC(C)(C=C)O)C)C,C15H26O,Marquardt (2015),IQT,0,19.2,7.073,3.296,8.441,3.728,1,-0.57,-1.734,1,0.489,1.659,1.642,7.27,-0.521,0,10.468
+UMLCN0050,L,Alcohols,,1-octanol,CCCCCCCCO,C8H18O,NREL (2014),CFR,0,39.1,7.927,1.609,0.342,2.423,1,0,0,1,0.342,1.459,0.426,4.762,0,0,5.274
+UMLCN0051,L,Alcohols,,octan-3-ol,CCCCCC(O)CC,C8H18O,NREL (2014),IQT,0,25,6.06,1.609,0.542,3.085,1,0,0,1,0.357,1.459,0.506,5.476,0,0,6.576
+UMLCN0052,L,Alcohols,Olefins,linalool,CC(=CCCC(C)(C=C)O)C,C10H18O,NREL (2014),IQT,0,16.5,4.126,2.565,5.824,3.489,1,-1.716,0,1,0.568,1.553,1.033,7.098,0,0,8.575
+UMLCN0053,L,Alcohols,,hexadecan-1-ol,CCCCCCCCCCCCCCCCO,C16H34O,NREL (2014),Other Ignition Delay Method,0,68,15.924,2.565,0.342,2.643,1,-0.478,-1.857,1,0.242,1.651,1.521,5.624,-0.49,0,5.843
+UMLCN0054,L,Alcohols,,dodecan-1-ol,CCCCCCCCCCCCO,C12H26O,NREL (2014),CFR,0,63.6,11.925,2.197,0.342,2.566,1,-1.461,0,1,0.278,1.593,1.088,5.283,0,0,5.65
+UMLCN0055,L,Alcohols,,2-methyl-2-butanol,CCC(C)(C)O,C5H12O,Marquardt (2015),IQT,0,12.1,1.596,0,1.726,2.826,1,0,0,1,0.438,1.082,0.329,6.779,0,0,5.653
+UMLCN0056,L,Alcohols,,undecan-1-ol,CCCCCCCCCCCO,C11H24O,NREL (2014),CFR,0,53,10.925,2.079,0.342,2.539,1,-1.711,0,1,0.29,1.57,0.941,5.176,0,0,5.58
+UMLCN0057,L,Alcohols,Cyclic,cyclopentanol,C1CCC(C1)O,C5H10O,Marquardt (2015),IQT,0,9.8,1.105,1.099,1.047,2.729,1,0,0,1,0.429,1.452,0,5.565,0,0,5.458
+UMLCN0058,L,Alcohols,Olefins,geraniol,CC(=CCCC(=CCO)C)C,C10H18O,NREL (2014),IQT,0,19.3,5.858,2.708,3.945,2.553,1,-1.582,0,1,0.489,1.556,1.067,5.916,0,0,6.051
+UMLCN0059,L,Alcohols,,ethanol,CCO,C2H6O,NREL (2014),IQT,0,11,1.936,0,0.136,1.569,1,0,0,1,0.627,0.387,0,1.099,0,0,3.139
+UMLCN0060,L,Aldehydes,,octanal,CCCCCCCC=O,C8H16O,Marquardt (2015),IQT,0,102.5,7.398,1.792,0.611,2.838,0,0,0,1,0.395,1.448,0.257,4.762,0,0,6.063
+UMLCN0061,L,Aldehydes,,hexanal,CCCCCC=O,C6H12O,Marquardt (2015),IQT,0,75.2,5.412,1.386,0.611,2.68,0,0,0,1,0.47,1.293,0.069,4.344,0,0,5.619
+UMLCN0062,L,Aldehydes,,pentanal,CCCCC=O,C5H10O,NREL (2014),IQT,0,65.1,4.422,1.099,0.611,2.564,0,0,0,1,0.523,1.168,0.008,4.043,0,0,5.273
+UMLCN0063,L,Aldehydes,,butanal,CCCC=O,C4H8O,Marquardt (2015),IQT,0,41.1,3.437,0,0.612,2.405,0,0,0,1,0.591,0.984,0,3.611,0,0,4.81
+UMLCN0064,L,Aldehydes,Cycloalkenes,3-cyclohexene-1-carboxaldehyde,C1CC(CC=C1)C=O,C7H10O,Marquardt (2015),IQT,0,28.1,1.843,3.091,2.763,3.126,0,0,0,1,0.6,1.14,0.039,5.838,0,0,6.702
+UMLCN0065,L,Aldehydes,,isobutyraldehyde,CC(C)C=O,C4H8O,Marquardt (2015),IQT,0,21.1,1.821,0,1.199,2.505,0,0,0,1,0.55,0.761,0,4.762,0,0,5.009
+UMLCN0066,L,Aromatics,Ethers,dibenzylether,C1=CC=C(C=C1)COCC2=CC=CC=C2,C14H14O,Marquardt (2015),IQT,0,8.1,3.528,4.948,1.359,2.106,0,-0.715,-2,1,0.416,1.829,0.063,6.608,-0.575,0,5.097
+UMLCN0067,L,Aromatics,Acetals,benzaldehyde dimethyl acetal,COC(C1=CC=CC=C1)OC,C9H12O2,Marquardt (2015),IQT,0,10.4,3.08,4.372,1.628,1.563,0,-1.422,0,2,0.529,1.246,0.262,6.506,0,0,6.253
+UMLCN0068,L,Aromatics,,"2,6-dimethylnaphthalene",CC1=CC2=C(C=C1)C=C(C=C2)C,C12H12,NREL (2014),"20% Blend, CFR",0,-7,1.614,5.518,1.378,0.217,0,-1.165,0,0,0.486,1.528,0.272,6.952,-1,0,2.696
+UMLCN0069,L,Aromatics,,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,C10H14,Creton (2011),Unknown,0,-1,1.797,4.343,4.744,0.225,0,-2,0,0,0.469,1.484,0.537,7.3,0,0,2.451
+UMLCN0070,L,Aromatics,Ethers,4-methoxybenzaldehyde,COC1=CC=C(C=C1)C=O,C8H8O2,Marquardt (2015),IQT,0,25.8,2.185,4.541,1.476,3.165,0,-2,0,2,0.632,1.132,0.297,6.315,0,0,9.126
+UMLCN0071,L,Aromatics,,n-hexylbenzene,CCCCCCC1=CC=CC=C1,C12H18,NREL (2014),Unknown,0,26,4.514,4.29,1.018,0.252,0,-1.419,0,0,0.449,1.605,0.419,6.061,0,0,2.001
+UMLCN0072,L,Aromatics,,1-methylnaphthalene,CC1=CC=CC2=CC=CC=C12,C11H10,NREL (2014),CFR,0,0,1.392,5.388,1.422,0.157,0,-1.639,0,0,0.46,1.437,0.257,6.889,0,0,1.934
+UMLCN0073,L,Aromatics,Olefins,2-phenylundec-2-ene,CC(=CCCCCCCCC)C1=CC=CC=C1,C17H26,Creton (2011),Unknown,0,23,7.457,4.624,4.138,0.384,0,-0.629,-1.772,0,0.437,1.68,1.243,6.616,-0.302,0,3.07
+UMLCN0074,L,Aromatics,,2-octylnaphthalene,CCCCCCCCC1=CC2=CC=CC=C2C=C1,C18H24,NREL (2014),Unknown,0,18,5.26,5.503,1.751,0.349,0,-0.253,-1.507,0,0.426,1.677,0.873,6.984,-0.071,0,3.562
+UMLCN0075,L,Aromatics,,"1,3-xylene",CC1=CC(=CC=C1)C,C8H10,NREL (2014),IQT,0,7,1.336,4.202,0.603,0.167,0,0,0,0,0.5,1.18,0,6.075,0,0,1.315
+UMLCN0076,L,Aromatics,,2-methyl-2-phenylheptadecane,CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C24H42,NREL (2014),Unknown,0,39,11.965,4.589,4.982,0.392,0,0.651,-0.886,0,0.31,1.716,2.226,7.555,0.483,0,4.177
+UMLCN0077,L,Aromatics,,4-isopropyltoluene,CC1=CC=C(C=C1)C(C)C,C10H14,NREL (2014),"20% Blend, CFR",0,4,2.103,4.467,3.703,0.213,0,-2,0,0,0.498,1.446,0.449,6.532,0,0,2.508
+UMLCN0078,L,Aromatics,,2-tert-butylnaphthalene,CC(C)(C)C1=CC2=CC=CC=C2C=C1,C14H16,NREL (2014),Unknown,0,3,2.069,5.538,5.414,0.287,0,-1,-2,0,0.466,1.645,0.684,7.645,-0.85,0,3.915
+UMLCN0079,L,Aromatics,,n-heptylbenzene,CCCCCCCC1=CC=CC=C1,C13H20,NREL (2014),Unknown,0,35,5.315,4.303,1.02,0.261,0,-1.145,0,0,0.428,1.633,0.656,6.107,-1,0,2.084
+UMLCN0080,L,Aromatics,Cyclic,n-octyltetralin,CCCCCCCCC1CCCC2=CC=CC=C12,C18H28,NREL (2014),Unknown,0,18,5.771,4.845,2.428,0.371,0,-0.224,-1.42,0,0.376,1.671,1.095,7.069,0,0,2.838
+UMLCN0081,L,Aromatics,,"1,2-diphenylethane",C1=CC=C(C=C1)CCC2=CC=CC=C2,C14H14,NREL (2014),CFR,0,1,2.971,4.969,1.592,0.183,0,-1,-2,0,0.391,1.805,0.199,6.581,-0.918,0,2.494
+UMLCN0082,L,Aromatics,,3-ethyl-3-(beta-naphthyl)nonane,C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2,C21H30,NREL (2014),Unknown,0,13,5.847,5.626,11.493,0.433,0,0.338,-1.08,0,0.401,1.748,1.554,7.892,0.382,0,5.666
+UMLCN0083,L,Aromatics,,sec-butylbenzene,CCC(C)C1=CC=CC=C1,C10H14,NREL (2014),"20% Blend, CFR",0,6,2.495,4.313,3.981,0.259,0,-2,0,0,0.493,1.48,0.453,6.399,0,0,2.231
+UMLCN0084,L,Aromatics,,2-methyl-2-(beta-naphthyl)hexane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C17H22,NREL (2014),Unknown,0,10,3.516,5.578,5.653,0.354,0,-0.618,-1.689,0,0.45,1.704,1.369,7.741,-0.081,0,4.916
+UMLCN0085,L,Aromatics,,2-methyl-2-(beta-naphthyl)decane,C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C,C21H30,NREL (2014),Unknown,0,18,5.847,5.593,5.653,0.392,0,0.129,-1.041,0,0.401,1.724,1.908,7.775,0.382,0,5.398
+UMLCN0086,L,Aromatics,,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,C10H14,NREL (2014),Blend (Percentage? Method?),0,5,2.495,4.44,1.222,0.278,0,-2,0,0,0.48,1.385,0.18,6.326,0,0,2.305
+UMLCN0087,L,Aromatics,,1-butylnaphthalene,CCCCC1=CC=CC2=CC=CC=C21,C14H16,NREL (2014),Unknown,0,6,2.83,5.489,2.437,0.248,0,-0.852,-2,0,0.484,1.567,0.279,6.999,-0.878,0,2.937
+UMLCN0088,L,Cycloalkanes ,,decalin,C1CCC2CCCCC2C1,C10H18,Heyne (2009),IQT,0,37.4,1.967,3.296,3.646,0.06,0,-2,0,0,0.247,1.452,0.162,6.603,0,0,0.713
+UMLCN0089,L,Aromatics,Cyclic,tert-butyltetralin,CC(C)(C)C1CCCC2=CC=CC=C12,C14H20,NREL (2014),Unknown,0,17,2.383,4.876,4.854,0.361,0,-1,-2,0,0.472,1.613,0.681,7.696,-0.832,0,4.118
+UMLCN0090,L,Aromatics,,2-phenylundecane,CCCCCCCCCC(C)C1=CC=CC=C1,C17H28,NREL (2014),Unknown,0,51,7.789,4.439,3.923,0.354,0,-0.633,-1.719,0,0.374,1.682,1.337,6.616,-0.302,0,3.089
+UMLCN0091,L,Aromatics,,7-phenyltridecane,CCCCCCC(CCCCCC)C1=CC=CC=C1,C19H32,NREL (2014),Unknown,0,41,9.493,4.556,5.085,0.324,0,-0.035,-1.497,0,0.349,1.656,1.247,6.735,0,0,3.506
+UMLCN0092,L,Aromatics,,n-butylbenzene,CCCCC1=CC=CC=C1,C10H14,NREL (2014),IQT,0,12,3.007,4.262,1.018,0.225,0,-2,0,0,0.493,1.508,0.189,5.964,0,0,1.749
+UMLCN0093,L,Aromatics,,4-phenyldodecane,CCCCCCCCC(CCC)C1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,42,8.634,4.535,4.649,0.303,0,-0.482,-1.627,0,0.361,1.672,1.16,6.711,0,0,3.35
+UMLCN0094,L,Aromatics,Aldehydes,alpha-methyl-trans-cinnamaldehyde,CC(=CC1=CC=CC=C1)C=O,C10H10O,Marquardt (2015),IQT,0,19.1,2.617,4.607,2.39,3.241,0,-1.824,0,1,0.57,1.497,0.052,6.286,0,0,6.482
+UMLCN0095,L,Aromatics,,5-methyl-5-(beta-naphthyl)nonane,C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC,C20H28,NREL (2014),Unknown,0,12,5.228,5.624,5.573,0.461,0,0.113,-1.041,0,0.413,1.74,1.422,7.831,0,0,5.617
+UMLCN0096,L,Aromatics,Cyclic,1-butyltetralin,CCCCC1CCCC2=CC=CC=C12,C14H20,Creton (2011),Unknown,0,18,3.232,4.813,2.433,0.342,0,-0.902,-2,0,0.445,1.578,0.54,6.999,-0.878,0,2.641
+UMLCN0097,L,Aromatics,,n-nonylbenzene,CCCCCCCCCC1=CC=CC=C1,C15H24,NREL (2014),Unknown,0,50,6.984,4.33,1.02,0.273,0,-1,-2,0,0.393,1.669,0.907,6.192,-0.755,0,2.204
+UMLCN0098,L,Aromatics,,"1,2,4-trimethylbenzene ",CC1=CC(C)=C(C)C=C1,C9H12,NREL (2014),IQT,0,8.9,1.564,4.427,0.573,0.204,0,0,0,0,0.464,1.239,0.547,6.503,0,0,1.789
+UMLCN0099,L,Aromatics,,2-phenyltetradecane,CCCCCCCCCCCCC(C)C1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,49,10.363,4.474,3.923,0.364,0,0.06,-1.241,0,0.338,1.704,1.62,6.693,0.131,0,3.208
+UMLCN0100,L,Aromatics,Cyclic,tetralin,C1CCC2=CC=CC=C2C1,C10H12,NREL (2014),IQT,0,8.9,1.463,4.613,2.124,0.258,0,-1.814,0,0,0.504,1.435,0.092,6.603,0,0,1.606
+UMLCN0101,L,Cycloalkenes,,cyclohexene,C1CCC=CC1,C6H10,Marquardt (2015),IQT,0,18.1,1.313,2.485,2.586,0.267,0,0,0,0,0.489,0.984,0,4.89,0,0,1.069
+UMLCN0102,L,Aromatics,,isopropylbenzene,CC(C)C1=CC=CC=C1,C9H12,Creton (2011),Unknown,0,15,1.885,4.251,3.765,0.204,0,0,0,0,0.492,1.405,0.259,6.29,0,0,1.854
+UMLCN0103,L,Aromatics,,2-phenyloctane,CCCCCCC(C)C1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,33,5.359,4.403,3.923,0.335,0,-1,0,0,0.419,1.637,1.019,6.532,-0.927,0,2.889
+UMLCN0104,L,Aromatics,Cyclic,"1,4-dioctyltetralin",C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC,C26H44,Creton (2011),Unknown,0,26,11.09,5.049,2.781,0.449,0,0.908,-0.39,0,0.299,1.679,2.349,7.386,1.099,0,4.311
+UMLCN0105,L,Aromatics,,"1,2-dimethylbenzene",CC1=CC=CC=C1C,C8H10,NREL (2014),CFR,0,8,1.336,4.202,0.627,0.12,0,0,0,0,0.5,1.105,0.665,6.24,0,0,1.194
+UMLCN0106,L,Olefins,Cyclic,gamma-terpinene,CC1=CCC(=CC1)C(C)C,C10H16,Marquardt (2015),IQT,0,20.3,2.311,3.807,5.048,0.375,0,-1.601,0,0,0.471,1.461,0.847,6.532,0,0,2.896
+UMLCN0107,L,Aromatics,,2-methyl-2-phenylpentadecane,CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1,C22H38,Creton (2011),Unknown,0,39,10.286,4.569,4.977,0.388,0,0.306,-1,0,0.326,1.709,2.095,7.534,0.268,0,4.12
+UMLCN0108,L,Aromatics,Ethers,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,C8H10O2,Marquardt (2015),IQT,0,13.4,2.427,4.404,0.979,1.511,0,-2,0,2,0.541,1.075,0.363,6.475,0,0,6.045
+UMLCN0109,L,Aromatics,,diphenylmethane,C1=CC=C(C=C1)CC2=CC=CC=C2,C13H12,NREL (2014),Unknown,0,11,2.42,5.03,2.418,0.16,0,-1,0,0,0.365,1.764,0.172,6.561,-1,0,2.131
+UMLCN0110,L,Aromatics,,n-dodecylbenzene,CCCCCCCCCCCCC1=CC=CC=C1,C18H30,NREL (2014),Unknown,0,68,9.608,4.369,1.018,0.284,0,-0.239,-1.546,0,0.351,1.698,1.169,6.308,0,0,2.32
+UMLCN0111,L,Aromatics,,n-tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,C20H34,NREL (2014),Unknown,0,72,11.413,4.394,1.018,0.289,0,0.144,-1.181,0,0.329,1.709,1.344,6.378,0.097,0,2.374
+UMLCN0112,L,Olefins,Cyclic,"1,5-cyclooctadiene",C1CC=CCCC=C1,C8H12,Marquardt (2015),IQT,0,25.7,2.441,3.045,7.001,0.267,0,0,0,0,0.431,1.282,0.215,5.081,0,0,2.139
+UMLCN0113,L,Ethers,,Dimethyl ether,COC,C2H6O,NREL (2014),Unknown,0,67,1.936,0,0.079,0.75,0,0,0,1,0.408,0.761,0,1.099,0,0,1.5
+UMLCN0114,L,Esters,Olefins,isopropyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,C21H40O2,NREL (2014),Other Ignition Delay Method,0,86.6,17.246,3.219,3.582,4.356,0,0.594,-0.839,2,0.332,1.666,1.955,6.425,0.464,0,13.922
+UMLCN0115,L,Ethers,,1-methoxyhexane,CCCCCCOC,C7H16O,Marquardt (2015),IQT,0,99.8,6.927,1.386,0.27,1.388,0,0,0,1,0.35,1.338,0.476,4.575,0,0,3.207
+UMLCN0116,L,Ethers,,diisoamyl ether,CC(C)CCOCCC(C)C,C10H22O,NREL (2014),IQT,0,96.2,6.634,1.946,2.655,1.955,0,-1.694,0,1,0.329,1.597,0.755,5.796,0,0,5.734
+UMLCN0117,L,Esters,Olefins,2-ethylhexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O2,NREL (2014),Other Ignition Delay Method,0,88,22.159,3.584,4.761,4.84,0,1.13,-0.029,2,0.305,1.705,2.391,6.678,1.215,0,16.447
+UMLCN0118,L,Ethers,Cyclic,cyclopentyl methyl ether,COC1CCCC1,C6H12O,Marquardt (2015),IQT,0,47.3,1.688,1.609,0.903,1.611,0,0,0,1,0.368,1.452,0.346,5.778,0,0,3.222
+UMLCN0119,L,Esters,,2-ethylhexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C24H48O2,NREL (2014),Other Ignition Delay Method,0,98,20.649,3.367,2.238,4.816,0,0.779,-0.3,2,0.255,1.703,1.685,6.627,0.876,0,14.929
+UMLCN0120,L,Esters,,methyl octanoate,CCCCCCCC(=O)OC,C9H18O2,NREL (2014),CFR,0,33.6,7.484,2.079,0.234,3.622,0,-1.842,0,2,0.385,1.457,0.766,5.631,0,0,9.642
+UMLCN0121,L,Esters,Olefins,propyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCC,C21H40O2,NREL (2014),Blend,0,72,18.897,3.296,3.008,4.304,0,0.679,-0.679,2,0.326,1.666,1.883,6.263,0.532,0,13.756
+UMLCN0122,L,Ethers,Alcohols,3-(3-methoxypropoxy)propan-1-ol,COCCCOCCCO,C7H16O3,NREL (2014),IQT,0,43.9,8.779,1.792,0.175,2.364,1,0,0,3,0.427,1.412,0.577,4.92,0,0,10.639
+UMLCN0123,L,Ethers,,diisopropyl ether,CC(OC(C)C)C,C6H14O,Marquardt (2015),IQT,0,23.6,3.011,0,2.424,1.75,0,0,0,1,0.319,1.351,0.286,5.541,0,0,3.833
+UMLCN0124,L,Esters,,methyl decanoate,CCCCCCCCCC(=O)OC,C11H22O2,Marquardt (2015),IQT,0,52.7,9.45,2.303,0.234,3.725,0,-1.177,0,2,0.344,1.539,1.024,5.765,0,0,10.001
+UMLCN0125,L,Esters,,propyl stearate ,CCCCCCCCCCCCCCCCCC(=O)OCCC,C21H42O2,NREL (2014),Other Ignition Delay Method,0,80.5,19.371,3.091,0.485,4.314,0,0.667,-0.7,2,0.253,1.668,1.684,6.263,0.532,0,12.386
+UMLCN0126,L,Esters,,2-butyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)CC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,98,18.68,3.135,1.263,4.524,0,0.667,-0.65,2,0.254,1.669,1.548,6.512,0.548,0,13.261
+UMLCN0127,L,Esters,,isopropyl stearate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,C21H42O2,NREL (2014),Other Ignition Delay Method,0,97,17.698,2.996,1.059,4.365,0,0.552,-0.891,2,0.26,1.668,1.637,6.425,0.464,0,12.548
+UMLCN0128,L,Acids,,stearic acid,CCCCCCCCCCCCCCCCCC(=O)O,C18H36O2,NREL (2014),Other Ignition Delay Method,0,62,16.387,2.833,0.257,3.333,1,0.244,-1.278,2,0.268,1.666,1.687,6.047,0,0,12.241
+UMLCN0129,L,Esters,,trimyristin,CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,C45H86O6,NREL (2014),Other Ignition Delay Method,0,100,40.771,4.19,1.261,5.669,0,1.789,1.461,6,0.233,1.713,3.941,7.328,2.474,0,47.111
+UMLCN0130,L,Esters,Olefins,isobutyl oleate ,CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C,C22H42O2,NREL (2014),Other Ignition Delay Method,0,60,18.226,3.401,3.917,4.45,0,0.713,-0.676,2,0.336,1.667,1.828,6.447,0.533,0,14.49
+UMLCN0131,L,Esters,,butyl myristate,CCCCCCCCCCCCCC(=O)OCCCC,C18H36O2,NREL (2014),CFR,0,69.4,16.387,2.944,0.485,4.356,0,0.194,-1.242,2,0.274,1.63,1.545,6.142,0.02,0,12.727
+UMLCN0132,L,Esters,,hexyl acetate,CCCCCCOC(=O)C,C8H16O2,NREL (2014),IQT,0,32.2,6.507,1.946,0.263,3.254,0,0,0,2,0.411,1.373,0.544,5.407,0,0,9.325
+UMLCN0133,L,Esters,,trilaurin,CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC,C39H74O6,NREL (2014),Other Ignition Delay Method,0,100,34.891,4.094,1.261,5.557,0,1.713,1.393,6,0.251,1.704,3.641,7.246,2.291,0,46.056
+UMLCN0134,L,Esters,,methyl hexanoate,CCCCCC(=O)OC,C7H14O2,Marquardt (2015),IQT,0,25.3,5.534,1.792,0.234,3.464,0,0,0,2,0.442,1.319,0.501,5.476,0,0,9.061
+UMLCN0135,L,Esters,,methyl valerate,CCCCC(=O)OC,C6H12O,Marquardt (2015),IQT,0,13.3,4.569,1.609,0.234,3.348,0,0,0,2,0.479,1.222,0.204,5.389,0,0,8.613
+UMLCN0136,L,Ethers,,diisobutyl ether,CC(C)COCC(C)C,C8H18O,Marquardt (2015),IQT,0,59.7,4.783,1.609,2.27,1.856,0,0,0,1,0.326,1.521,0.051,5.666,0,0,5.049
+UMLCN0137,L,Esters,,tributyrin,CCCC(=O)OC(COC(=O)CCC)COC(=O)CCC,C15H26O6,NREL (2004),Other Ignition Delay Method,0,7,11.978,3.401,1.261,4.491,0,0.592,-0.503,6,0.41,1.537,0.901,6.828,0.34,0,35.642
+UMLCN0138,L,Esters,Olefins,2-butyl oleate,O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC,C22H42O2,NREL (2014),Other Ignition Delay Method,0,72,18.226,3.332,3.787,4.515,0,0.68,-0.631,2,0.324,1.667,1.926,6.512,0.548,0,14.636
+UMLCN0139,L,Ethers,Alcohols,triethylene glycol monomethyl ether,COCCOCCOCCO,C7H16O4,NREL (2014),IQT,0,80.7,9.705,1.946,0.253,2.321,1,-1.411,0,4,0.39,1.349,0.15,5.056,0,0,13.242
+UMLCN0140,L,Ethers,,"1,6-dimethoxyhexane",COCCCCCCOC,C8H18O2,NREL (2014),Blend (Method?),0,88,8.853,1.792,0.091,1.417,0,0,0,2,0.342,1.359,0.873,4.92,0,0,5.668
+UMLCN0141,L,Ethers,,"1,2-dimethoxyethane",COCCOC,C4H10O2,NREL (2014),IQT,0,81,4.858,0.693,0.124,1.157,0,0,0,2,0.396,1.041,0.204,4.043,0,0,4.629
+UMLCN0142,L,Esters,,ethyl tetradecanoate,CCCCCCCCCCCCCC(=O)OCC,C16H32O2,NREL (2014),CFR,0,67,14.4,2.708,0.293,4.081,0,-0.05,-1.559,2,0.291,1.627,1.452,6.052,-0.318,0,11.472
+UMLCN0143,L,Esters,,butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCC,C20H40O2,NREL (2014),Blend (5%-7%),0,89,18.376,3.045,0.485,4.397,0,0.447,-0.812,2,0.259,1.652,1.667,6.225,0.468,0,12.864
+UMLCN0144,L,Esters,,n-butyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCCC,C22H44O2,NREL (2014),Other Ignition Delay Method,0,86,20.367,3.135,0.485,4.43,0,0.702,-0.584,2,0.247,1.668,1.775,6.301,0.597,0,12.972
+UMLCN0145,L,Esters,Olefins,methyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,NREL (2014),IQT,0,37,15.99,3.555,7.002,3.905,0,0.598,-0.812,2,0.429,1.671,1.54,6.172,0.213,0,13.104
+UMLCN0146,L,Esters,,ethyl palmitate,CCCCCCCCCCCCCCCC(=O)OCC,C18H36O2,NREL (2014),Blend,0,80,16.387,2.833,0.293,4.122,0,0.212,-1.134,2,0.274,1.65,1.612,6.142,0.126,0,11.605
+UMLCN0147,L,Ethers,Alcohols,2-methoxyethanol,COCCO,C3H8O2,NREL (2014),IQT,0,15.5,3.861,0,0.162,1.941,1,0,0,2,0.568,0.95,0.068,3.611,0,0,5.764
+UMLCN0148,L,Esters,,methyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC,C19H38O2,NREL (2014),CFR,0,86,17.381,2.89,0.234,3.923,0,0.381,-1.008,2,0.257,1.667,1.771,6.172,0.213,0,10.662
+UMLCN0149,L,Esters,,butyl butanoate,CCCCOC(=O)CCC,C8H16O2,NREL (2014),IQT,0,18,6.507,1.946,0.485,3.696,0,0,0,2,0.421,1.501,0.343,5.58,0,0,10.313
+UMLCN0150,L,Esters,,methyl dodecanoate,CCCCCCCCCCCC(=O)OC,C13H26O2,NREL (2014),IQT,0,66.5,11.426,2.485,0.234,3.797,0,-0.616,0,2,0.314,1.591,1.269,5.883,-0.831,0,10.246
+UMLCN0151,L,Ethers,,"2,2-dimethoxypropane",CC(OC)(OC)C,C5H12O2,Marquardt (2015),IQT,0,31.3,2.261,0,1.293,1.365,0,0,0,2,0.4,0.986,0.451,6.938,0,0,5.458
+UMLCN0152,L,Esters,,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,C17H34O2,NREL (2014),IQT,0,85.9,15.393,2.773,0.234,3.891,0,0.07,-1.41,2,0.272,1.65,1.634,6.084,-0.18,0,10.557
+UMLCN0153,L,Esters,Olefins,methyl sorbate ,CC=CC=CC(=O)OC,C7H10O2,NREL (2014),IQT,0,6,4.742,2.944,0.298,3.344,0,0,0,2,0.628,1.277,0.26,5.476,0,0,8.362
+UMLCN0154,L,Esters,,ethyl decanoate,CCCCCCCCCC(=O)OCC,C12H24O2,NREL (2014),CFR,0,51,10.437,2.398,0.293,3.956,0,-0.939,0,2,0.34,1.543,1.055,5.844,-0.975,0,11.054
+UMLCN0155,L,Esters,Olefins,methyl palmitoleate,CCCCCCC=CCCCCCCCC(=O)OC,C17H32O2,NREL (2014),IQT,0,56.6,14.928,3.045,2.758,3.882,0,0.078,-1.321,2,0.36,1.648,1.53,6.084,-0.18,0,11.832
+UMLCN0156,L,Esters,,butyl valerate,CCCCC(=O)OCCCC,C9H18O2,Marquardt (2015),IQT,0,23.5,7.484,2.303,0.485,3.855,0,-1.627,0,2,0.396,1.533,0.553,5.652,0,0,10.904
+UMLCN0157,L,Ethers,,acetal,CC(OCC)OCC,C6H14O2,Marquardt (2015),IQT,0,54.1,5.017,1.099,0.476,1.56,0,0,0,2,0.373,1.303,0.075,5.416,0,0,6.24
+UMLCN0158,L,Esters,Olefins,vinyl laurate,CCCCCCCCCCCC(=O)OC=C,C14H26O2,Marquardt (2015),IQT,0,77,11.961,2.639,1.226,3.957,0,-0.493,-1.93,2,0.391,1.593,1.314,5.953,-0.704,0,11.369
+UMLCN0159,L,Ethers,Alcohols,1-butoxy-2-propanol,CCCCOCC(C)O,C7H16O2,NREL (2014),IQT,0,36.1,5.996,1.609,0.527,2.727,1,0,0,2,0.449,1.444,0.173,5.313,0,0,8.858
+UMLCN0160,L,Ethers,,diethylene glycol dimethyl ether,COCCOCCOC,C6H14O3,NREL (2014),Blend,0,109,7.781,1.609,0.17,1.564,0,0,0,3,0.351,1.278,0.19,4.762,0,0,8.154
+UMLCN0161,L,Esters,,sec-butyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)CC,C20H40O2,Creton (2011),Unknown,0,84.8,16.717,3.045,1.263,4.491,0,0.418,-0.948,2,0.266,1.654,1.436,6.45,0.408,0,13.153
+UMLCN0162,L,Esters,,butyl decanoate,CCCCCCCCCC(=O)OCCCC,C14H28O2,NREL (2014),CFR,0,55,12.416,2.708,0.485,4.231,0,-0.506,-1.9,2,0.313,1.573,1.227,5.953,-0.67,0,12.298
+UMLCN0163,L,Ethers,Olefins,"1,4-cyclohexanedimethanol divinyl ether",C=COCC1CCC(CC1)COC=C,C12H20O2,Marquardt (2015),IQT,0,61.1,5.572,3.367,3.171,1.706,0,-0.89,0,2,0.49,1.414,0.826,6.469,-0.991,0,9.012
+UMLCN0164,L,Esters,Olefins,methyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OC,C19H36O2,NREL (2014),CFR,0,56,16.911,3.135,2.758,3.914,0,0.515,-0.93,2,0.337,1.665,1.871,6.172,0.213,0,12.015
+UMLCN0165,L,Ethers,Olefins,dodecyl vinyl ether,C=COCCCCCCCCCCCC,C14H28O,Marquardt (2015),IQT,0,101.7,13.428,2.485,0.67,1.569,0,-0.852,0,1,0.34,1.598,1.34,5.468,-0.871,0,4.72
+UMLCN0166,L,Ethers,Alcohols,1-methoxy-2-propanol,CC(COC)O,C4H10O2,Marquardt (2015),IQT,0,16.3,3.085,0,0.637,2.427,1,0,0,2,0.567,1.039,0.02,4.963,0,0,6.961
+UMLCN0167,L,Esters,,propyl decanoate,CCCCCCCCCC(=O)OCCC,C13H26O2,NREL (2014),CFR,0,53,11.426,2.639,0.485,4.115,0,-0.656,0,2,0.325,1.551,1.064,5.9,-0.868,0,11.706
+UMLCN0168,L,Esters,Olefins,propyl linolenate,CCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C21H36O2,NREL (2014),Other Ignition Delay Method,0,27,17.966,3.664,7.253,4.295,0,0.779,-0.468,2,0.412,1.672,1.56,6.263,0.532,0,14.863
+UMLCN0169,L,Esters,,methyl heptanoate,CCCCCCC(=O)OC,C8H16O2,Marquardt (2015),IQT,0,34.2,6.507,1.946,0.234,3.553,0,0,0,2,0.411,1.397,0.545,5.557,0,0,9.39
+UMLCN0170,L,Esters,Olefins,butyl linolenate,CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC,C22H38O2,NREL (2014),Other Ignition Delay Method,0,29,18.955,3.689,7.253,4.411,0,0.865,-0.44,2,0.401,1.672,1.753,6.301,0.597,0,15.476
+UMLCN0171,L,Esters,,ethyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC,C20H40O2,NREL (2014),CFR,0,76.8,18.376,2.944,0.293,4.155,0,0.425,-0.903,2,0.259,1.668,1.742,6.225,0.392,0,11.71
+UMLCN0172,L,Esters,Olefins,ethyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCC,C20H38O2,NREL (2014),Other Ignition Delay Method,0,61,17.904,3.178,2.816,4.146,0,0.536,-0.851,2,0.336,1.665,1.939,6.225,0.392,0,13.078
+UMLCN0173,L,Acids,Olefins,linolenic acid,CCC=CCC=CCC=CCCCCCCCC(=O)O,C18H30O2,NREL (2014),Other Ignition Delay Method,0,20,15.004,3.526,7.025,3.315,1,0.367,-1.08,2,0.45,1.67,1.358,6.047,0,0,14.5
+UMLCN0174,L,Esters,Olefins,butyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCCC,C22H40O2,NREL (2014),Other Ignition Delay Method,0,54,19.42,3.555,5.157,4.415,0,0.775,-0.558,2,0.367,1.668,1.836,6.301,0.597,0,15.194
+UMLCN0175,L,Esters,,ethyl valerate,CCCCC(=O)OCC,C7H14O2,Marquardt (2015),IQT,0,18.6,5.534,1.792,0.293,3.58,0,0,0,2,0.449,1.349,0.253,5.501,0,0,9.679
+UMLCN0176,L,Esters,,propyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC,C19H38O2,NREL (2014),Other Ignition Delay Method,0,85,17.381,2.996,0.487,4.281,0,0.411,-1.1,2,0.266,1.651,1.563,6.184,0.127,0,12.277
+UMLCN0177,L,Esters,,propyl valerate,CCCCC(=O)OCCC,C8H16O,Marquardt (2015),IQT,0,20.7,6.507,2.197,0.485,3.739,0,0,0,2,0.421,1.464,0.312,5.58,0,0,10.311
+UMLCN0178,L,Ethers,,2-ethoxyethyl ether,CCOCCOCCOCC,C8H18O3,NREL (2014),Other Ignition Delay Method,0,123,9.778,1.946,0.14,1.688,0,-1.406,0,3,0.312,1.39,0.199,5.056,0,0,9.672
+UMLCN0179,L,Esters,Cyclic Ethers,tetrahydrofurfuryl acetate,CC(=O)OCC1CCCO1,C7H12O3,Marquardt (2015),IQT,0,18.2,2.842,2.565,0.543,3.323,0,-1.754,0,3,0.513,1.347,0.227,6.163,0,0,12.621
+UMLCN0180,L,Ethers,,"1,4-diethoxybutane",CCOCCCCOCC,C8H18O2,NREL (2014),Blend (Method?),0,97,8.853,1.792,0.06,1.658,0,0,0,2,0.342,1.364,0.712,4.92,0,0,6.698
+UMLCN0181,L,Esters,,methyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC,C15H30O2,Marquardt (2015),IQT,0,75.8,13.407,2.639,0.234,3.85,0,-0.279,-1.798,2,0.29,1.626,1.469,5.989,-0.511,0,10.423
+UMLCN0182,L,Esters,Ketones,ethyl acetoacetate,CCOC(=O)CC(=O)C,C6H10O3,Marquardt (2015),IQT,0,13.7,3.894,1.609,0.383,3.41,0,0,0,3,0.554,1.315,0.165,5.82,0,0,15.263
+UMLCN0183,L,Esters,,isobutyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(C)C,C20H40O2,NREL (2014),Unknown,0,84,16.717,3.135,1.393,4.427,0,0.431,-1,2,0.28,1.653,1.418,6.382,0.127,0,13.013
+UMLCN0184,L,Esters,,isopropyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(C)C,C19H38O2,NREL (2014),Other Ignition Delay Method,0,83,15.737,2.89,1.059,4.333,0,0.344,-1,2,0.273,1.652,1.517,6.358,0.126,0,12.444
+UMLCN0185,L,Esters,,ethyl hexanoate,CCCCCC(=O)OCC,C8H16O2,NREL (2014),IQT,0,27.8,6.507,1.946,0.293,3.696,0,0,0,2,0.421,1.382,0.476,5.58,0,0,10.123
+UMLCN0186,L,Ethers,,dibutoxymethane,CCCCOCOCCCC,C9H20O2,NREL (2014),Unknown,0,74,9.852,1.946,1.302,1.698,0,-1.596,0,2,0.349,1.54,0.278,5.056,0,0,7.41
+UMLCN0187,L,Acids,Olefins,oleic acid,CCCCCCCCC=CCCCCCCCC(=O)O,C18H34O2,NREL (2014),Other Ignition Delay Method,0,46,15.919,3.091,2.78,3.324,1,0.315,-1.196,2,0.354,1.664,1.701,6.047,0,0,13.503
+UMLCN0188,L,Esters,Olefins,propyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCCC,C21H38O2,NREL (2014),Other Ignition Delay Method,0,42.5,18.428,3.526,5.157,4.299,0,0.722,-0.635,2,0.377,1.668,1.638,6.263,0.532,0,14.587
+UMLCN0189,L,Esters,Ethers,2-ethoxyethyl acetate,CCOCCOC(C)=O,C6H12O3,NREL (2014),"Blend (20%, method?)",0,40,5.473,1.792,0.116,3.129,0,0,0,3,0.482,1.304,0.113,5.313,0,0,11.232
+UMLCN0190,L,Esters,Olefins,methyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OC,C19H34O2,NREL (2014),IQT,0,43.9,16.447,3.401,4.906,3.909,0,0.525,-0.859,2,0.393,1.667,1.605,6.172,0.213,0,12.835
+UMLCN0191,L,Esters,Cyclic,menthyl acetate,CC1CCC(C(C1)OC(=O)C)C(C)C,C12H22O2,Marquardt (2015),IQT,0,19.5,4.121,3.497,4.913,3.965,0,-1,0,2,0.393,1.477,0.866,7.041,-0.987,0,13.086
+UMLCN0192,L,Ethers,,dibutyl ether,CCCCOCCCC,C8H18O,Marquardt (2015),IQT,0,115.4,7.927,1.609,0.461,1.814,0,0,0,1,0.326,1.506,0.333,4.762,0,0,4.364
+UMLCN0193,L,Ethers,Alcohols,Tripropylene glycol monomethyl ether,CC(CO)OCC(C)OCC(C)OC,C10H22O4,NREL (2014),IQT,0,81.3,8.086,2.565,2.479,2.718,1,-0.869,0,4,0.405,1.48,0.99,6.378,-1.07,0,16.041
+UMLCN0194,L,Ethers,,diethoxymethane,CCOCOCC,C5H12O2,Marquardt (2015),IQT,0,57.3,5.856,1.099,0.889,1.352,0,0,0,2,0.4,1.303,0.078,4.344,0,0,5.407
+UMLCN0195,L,Ethers,Alcohols,2-isopropoxyethanol,CC(C)OCCO,C5H12O2,Marquardt (2015),IQT,0,27.8,4.045,1.099,0.892,2.19,1,0,0,2,0.488,1.255,0.212,5.094,0,0,7.262
+UMLCN0196,L,Ethers,Alcohols,dipropylene glycol monomethyl ether,CCC(O)OCCCOC,C7H16O3,Marquardt (2015),IQT,0,43.9,6.914,1.792,0.331,2.894,1,0,0,3,0.477,1.411,0.699,5.557,0,0,11.317
+UMLCN0197,L,Ethers,Alcohols,ethylene glycol vinyl ether,C=COCCO,C6H12O3,Marquardt (2015),IQT,0,14,4.4,1.099,0.562,2.025,1,0,0,2,0.723,1.177,0,4.043,0,0,6.572
+UMLCN0198,L,Ethers,Esters,propylene glycol monomethyl ether acetate,CC(COC)OC(=O)C,C6H12O3,Marquardt (2015),IQT,0,24,4.274,1.609,0.894,3.251,0,0,0,3,0.534,1.233,0.183,5.82,0,0,11.41
+UMLCN0199,L,Cyclic Esters,,gamma-undecanolactone,CCCCCCCC1CCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,52.6,5.065,2.996,2.466,3.766,0,-0.992,0,2,0.36,1.521,0.681,6.389,-1.01,0,11.233
+UMLCN0200,L,Cyclic Esters,,delta-undecalactone,CCCCCCC1CCCC(=O)O1,C11H20O2,Marquardt (2015),IQT,0,48.6,5.065,3.135,2.053,3.94,0,-0.827,0,2,0.36,1.583,0.593,6.368,-1.085,0,11.753
+UMLCN0201,L,Cyclic Esters,,epsilon-decalactone,CCCCC1CCCCC(=O)O1,C10H18O2,Marquardt (2015),IQT,0,40.5,4.303,3.091,2.23,4.034,0,-1.309,0,2,0.381,1.545,0.491,6.312,0,0,11.948
+UMLCN0202,L,Cyclic Esters,,whiskey lactone,CCCCC1C(CC(=O)O1)C,C9H16O2,Marquardt (2015),IQT,0,27.2,3.068,3.091,3.491,3.805,0,-1.46,0,2,0.444,1.471,0.373,6.673,0,0,11.369
+UMLCN0203,L,Ketones,Esters,butyl levulinate,CCCCOC(=O)CCC(=O)C,C9H16O3,NREL (2014),IQT,0,14.4,6.587,2.773,0.304,3.848,0,-1.359,0,3,0.475,1.524,0.621,5.969,0,0,17.382
+UMLCN0204,L,Ketones,,3-octanone,CCCCCC(=O)CC,C8H16O,NREL (2014),IQT,0,36,5.596,1.792,0.399,3.687,0,0,0,1,0.373,1.448,0.342,5.476,0,0,7.672
+UMLCN0205,L,Ketones,Cyclic,cycloheptanone,C1CCCC(=O)CC1,C7H12O,Marquardt (2015),IQT,0,22.5,2.073,2.485,3.65,3.683,0,0,0,1,0.38,1.568,0.201,5.666,0,0,7.366
+UMLCN0206,L,Ketones,,2-nonanone,CCCCCCCC(=O)C,C9H18O,Marquardt (2015),IQT,0,46.1,6.57,1.946,0.537,3.476,0,0,0,1,0.356,1.491,0.522,5.407,0,0,7.352
+UMLCN0207,L,Ketones,,4-methyl-2-pentanone,CC(C)CC(=O)C,C6H12O,Marquardt (2015),IQT,0,12.6,2.655,0,1.692,3.254,0,0,0,1,0.442,1.24,0.235,5.541,0,0,6.681
+UMLCN0208,L,Ketones,,3-pentanone,CCC(=O)CC,C5H10O,NREL (2014),IQT,0,14.6,2.733,0,0.345,3.181,0,0,0,1,0.418,1.195,0,5.153,0,0,6.361
+UMLCN0209,L,Ketones,Cyclic,"3,3,5-trimethylcyclohexanone",CC1CC(=O)CC(C1)(C)C,C9H16O,Marquardt (2015),IQT,0,11.9,1.846,2.833,6.395,4.089,0,-1.863,0,1,0.416,1.342,0.336,7.298,0,0,9.234
+UMLCN0210,L,Ketones,,2-octanone,CCCCCCC(=O)C,C8H16O,Marquardt (2015),IQT,0,36.6,5.596,1.792,0.269,3.407,0,0,0,1,0.38,1.442,0.4,5.313,0,0,7.163
+UMLCN0211,L,Ketones,Cyclic,menthone,CC1CCC(C(=O)C1)C(C)C,C10H18O,Marquardt (2015),IQT,0,20.6,2.695,3.045,4.417,4.446,0,-1.594,0,1,0.401,1.477,0.867,6.843,0,0,9.848
+UMLCN0212,L,Ketones,Alcohols,4-hydroxy-4-methyl-2-pentanone,CC(=O)CC(C)(C)O,C6H12O2,Marquardt (2015),IQT,0,11.5,2.167,0,1.828,3.299,1,0,0,2,0.537,1.241,0.27,6.936,0,0,12.533
+UMLCN0213,L,Ketones,,"2,4-dimethyl-3-pentanone",CC(C)C(=O)C(C)C,C7H14O,NREL (2014),IQT,0,14.4,2.741,0,2.442,3.843,0,0,0,1,0.355,1.351,0.382,6.326,0,0,7.685
+UMLCN0214,L,Ketones,,cyclohexanone,C1CCC(=O)CC1,C6H10O,Marquardt (2015),IQT,0,10.4,1.452,2.398,3.778,3.463,0,0,0,1,0.416,1.019,0,5.638,0,0,6.926
+UMLCN0215,L,Ketones,,2-heptanone,CCCCCC(C)=O,C7H14O,NREL (2014),IQT,0,30,4.629,1.609,0.269,3.319,0,0,0,1,0.408,1.378,0.282,5.209,0,0,6.915
+UMLCN0216,L,Naphthenes,,1-methyl-3-dodecylcyclohexane,CCCCCCCCCCCCC1CCCC(C1)C,C19H38,NREL (2014),Unknown,0,70,10.587,3.258,4.996,0.449,0,-0.313,-1.414,0,0.212,1.698,1.585,6.555,0,0,1.684
+UMLCN0217,L,Naphthenes,,cyclohexyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1,C26H52,Creton (2011),Unknown,0,66,16.982,3.638,4.599,0.364,0,0.925,-0.543,0,0.187,1.714,2.103,6.889,1.058,0,1.825
+UMLCN0218,L,Naphthenes,,methylcyclohexane,CC1CCCCC1,C7H14,Marquardt (2015),IQT,0,24.4,1.722,2.197,2.72,0.36,0,0,0,0,0.296,1.194,0.016,5.638,0,0,0.721
+UMLCN0219,L,Naphthenes,,propylcyclohexane,CCCC1CCCCC1,C9H18,Creton (2011),Unknown,0,52,3.097,2.565,2.86,0.3,0,0,0,0,0.262,1.439,0.31,5.911,0,0,0.706
+UMLCN0220,L,Naphthenes,,bicyclohexyl,C1CCC(CC1)C1CCCCC1,C12H22,NREL (2014),Unknown,0,51,3.076,3.367,4.565,0.06,0,-1,0,0,0.227,1.641,0.759,6.655,-1,0,0.781
+UMLCN0221,L,Naphthenes,,cyclohexane,C1CCCCC1,C6H12,Marquardt (2015),IQT,0,20,1.543,1.946,2.719,0,0,0,0,0,0.22,1.019,0,4.89,0,0,0
+UMLCN0222,L,Naphthenes,,n-butyldecalin,CCCCC1CCCC2C1CCCC2,C14H26,NREL (2014),Unknown,0,31,3.895,3.689,6.171,0.335,0,-0.92,-2,0,0.246,1.575,0.833,6.999,-0.878,0,1.446
+UMLCN0223,L,Naphthenes,,"1,3,5-trimethylcyclohexane",CC1CC(C)CC(C)C1,C9H18,Marquardt (2015),IQT,0,30.5,2.151,2.565,2.722,0.381,0,0,0,0,0.304,1.271,0.04,6.389,0,0,2.287
+UMLCN0224,L,Naphthenes,,sec-butyldecalin,CCC(C)C1CCCC2C1CCCC2,C14H26,Creton (2011),Unknown,0,34,3.515,3.738,6.396,0.488,0,-1,-2,0,0.264,1.587,1.104,7.18,-0.847,0,2.255
+UMLCN0225,L,Naphthenes,,2-methyl-2-cyclohexylpentadecane,CCCCCCCCCCCCCC(C)(C)C1CCCCC1,C22H44,Creton (2011),Unknown,0,45,11.322,3.434,5.005,0.541,0,0.303,-1,0,0.212,1.706,2.459,7.534,0.268,0,2.786
+UMLCN0226,L,Naphthenes,,2-methyl-2-decalyldecane,CCCCCCCCC(C)(C)C1CCCC2CCCCC12,C21H40,Creton (2011),Unknown,0,37,7.095,4.007,10.27,0.598,0,0.123,-1,0,0.237,1.7,1.853,7.82,0.382,0,3.496
+UMLCN0227,L,Naphthenes,,"1,2,4-trimethylcyclohexane",CC1CCC(C(C1)C)C,C9H18,Marquardt (2015),IQT,0,24.4,2.151,2.708,5.04,0.389,0,0,0,0,0.304,1.325,0.709,6.503,0,0,2.304
+UMLCN0228,L,Naphthenes,Aromatics,n-propyltetralin,CCCC1=CC2=C(CCCC2)C=C1,C13H18,NREL (2014),Unknown,0,8,2.677,4.894,2.42,0.429,0,-1.078,0,0,0.448,1.557,0.404,6.887,-1,0,2.676
+UMLCN0229,L,Naphthenes,,cyclohexyltetradecane,CCCCCCCCCCCCCCC1CCCCC1,C20H40,Creton (2011),Unknown,0,57,12.598,3.219,2.86,0.3,0,0.099,-1.198,0,0.188,1.706,1.55,6.378,0.097,0,0.972
+UMLCN0230,L,Naphthenes,,3-cyclohexylhexane,CCCCCCC1CCCCC1,C12H24,NREL (2014),Unknown,0,36,5.469,2.833,2.86,0.292,0,-1.545,0,0,0.23,1.602,0.647,6.061,0,0,0.836
+UMLCN0231,L,Naphthenes,,tert-butyldecalin,CC(C)(C)C1CCCC2CCCCC12,C14H26,NREL (2014),Unknown,0,24,2.905,3.761,8.401,0.453,0,-1,-2,0,0.287,1.605,0.758,7.696,-0.832,0,2.997
+UMLCN0232,L,Naphthenes,,n-propyldecalin,CCCC1CCCC2C1CCCC2,C13H24,NREL (2014),Unknown,0,35,3.293,3.638,6.171,0.354,0,-1.089,0,0,0.255,1.539,0.637,6.98,-1,0,1.391
+UMLCN0233,L,Naphthenes,,n-butylcyclohexane,CCCCC1CCCCC1,C10H20,NREL (2014),IQT,0,47.8,3.856,2.708,2.86,0.294,0,-2,0,0,0.25,1.513,0.305,5.964,0,0,0.759
+UMLCN0234,L,Olefins,,hept-2-ene,CCCCC=CC,C7H14,NREL (2014),"20% Blend, CFR",0,44,5.527,1.609,1.503,0.212,0,0,0,0,0.469,1.388,0.17,4.344,0,0,1.191
+UMLCN0235,L,Naphthenes,,ethylcyclohexane,CCC1CCCCC1,C8H16,NREL (2014),IQT,0,35.8,2.382,2.398,2.918,0.315,0,0,0,0,0.277,1.335,0.268,5.838,0,0,0.673
+UMLCN0236,L,Olefins,Cyclic,ethenylcyclohexane,C=CC1CCCCC1,C8H14,Creton (2011),Unknown,0,38,2.133,2.565,4.859,0.784,0,0,0,0,0.439,1.324,0.098,5.838,0,0,1.789
+UMLCN0237,L,Olefins,,1-decene,CCCCCCCCC=C,C10H20,Marquardt (2015),IQT,0,49.1,8.513,1.946,1.71,0.695,0,0,0,0,0.39,1.542,0.632,4.92,0,0,1.924
+UMLCN0238,L,Olefins,,1-hexene,CCCCC=C,C6H12,NREL (2014),IQT,0,25.8,4.535,1.099,1.709,0.598,0,0,0,0,0.53,1.303,0.128,4.043,0,0,1.564
+UMLCN0239,L,Olefins,,"2,2,6,6,8,8-hexamethyl-4-methylene-nonane",C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H32,Creton (2011),Unknown,0,5,4.858,2.565,11.082,1.255,0,-1,-1.825,0,0.329,1.695,1.406,8.032,-0.557,0,7.623
+UMLCN0240,L,Olefins,,1-heptene,CCCCCC=C,C7H14,NREL (2014),IQT,0,32,5.527,1.386,1.71,0.632,0,0,0,0,0.484,1.393,0.221,4.344,0,0,1.688
+UMLCN0241,L,Olefins,,1-octene,CCCCCCC=C,C8H16,NREL (2014),IQT,0,40,6.521,1.609,1.71,0.658,0,0,0,0,0.447,1.457,0.317,4.575,0,0,1.777
+UMLCN0242,L,Olefins,,1-hexadecene,CCCCCCCCCCCCCCC=C,C16H32,NREL (2014),IQT,0,75.9,14.501,2.565,1.71,0.75,0,-0.711,-1.955,0,0.296,1.651,1.4,5.549,-0.663,0,2.143
+UMLCN0243,L,Alkanes,,9-methylheptadecane,CCCCCCCCC(C)CCCCCCCC,C18H38,NREL (2014),Unknown,0,66,15.059,2.708,1.743,0.456,0,-0.547,-1.7,0,0.209,1.66,1.734,6.052,-0.205,0,2.09
+UMLCN0244,L,Olefins,,diethylene glycol monomethyl ether,OCCOCCOC,C5H12O3,Marquardt (2015),IQT,0,38.3,6.783,1.386,0.207,2.2,1,0,0,3,0.452,1.242,0.131,4.575,0,0,9.459
+UMLCN0245,L,Olefins,,cyclooctane,C1CCCCCCC1,C8H16,NREL (2014),IQT,0,22.3,3.015,2.197,7.409,0,0,0,0,0,0.2,1.303,0.474,5.081,0,0,0
+UMLCN0246,L,Alkanes,,5-butyldodecane,CCCCCCCC(CCCC)CCCC,C16H34,NREL (2014),Unknown,0,45,13.067,2.773,2.364,0.318,0,-1,-1.941,0,0.219,1.618,1.172,6.071,-0.696,0,1.872
+UMLCN0247,L,Olefins,,1-dodecene,CCCCCCCCCCC=C,C12H24,NREL (2014),IQT,0,56.8,10.508,2.197,1.71,0.719,0,-1.678,0,0,0.35,1.594,0.943,5.176,0,0,2.024
+UMLCN0248,L,Olefins,,"2-methyl-1,3-butadiene",CC(=C)C=C,C5H8,Marquardt (2015),IQT,0,13,1.584,0,1.38,0.556,0,0,0,0,0.601,1.018,0.147,4.762,0,0,2.032
+UMLCN0249,L,Olefins,,"7,10-dimethyl-8-hexadecene",CCCCCCC(C)C=CC(C)CCCCCC,C18H36,NREL (2014),Unknown,0,43,12.988,3.219,6.684,0.455,0,-0.596,-1.531,0,0.291,1.661,1.541,6.315,-0.389,0,4.414
+UMLCN0250,L,Olefins,,"2,5-dimethyl-2,4-hexadiene",CC(=CC=C(C)C)C,C8H14,Marquardt (2015),IQT,0,19.9,3.253,2.833,2.116,0.12,0,0,0,0,0.413,1.414,0.363,5.595,0,0,1.255
+UMLCN0251,L,Olefins,,"1,9-decadiene",C=CCCCCCCC=C,C10H18,Marquardt (2015),IQT,0,41,8.04,2.079,2.971,0.678,0,0,0,0,0.456,1.542,0.612,4.92,0,0,2.714
+UMLCN0252,L,Olefins,,1-nonene,CCCCCCCC=C,C9H18,NREL (2014),Unknown,0,51,7.517,1.792,1.71,0.678,0,0,0,0,0.416,1.505,0.492,4.762,0,0,1.856
+UMLCN0253,L,Olefins,,7-hexyl-7-pentadecene,CCCCCCCC=C(CCCCCC)CCCCCC,C21H42,NREL (2014),Unknown,0,47,17.571,3.401,3.796,0.601,0,0.277,-1.242,0,0.264,1.645,2.058,6.279,0.291,0,3.226
+UMLCN0254,L,Olefins,,3-octene,CCCCC=CCC,C8H16,Marquardt (2015),IQT,0,36,6.521,1.946,2.92,0.267,0,0,0,0,0.425,1.448,0.187,4.575,0,0,1.781
+UMLCN0255,L,Alkanes,,2-methyloctadecane,CCCCCCCCCCCCCCCCC(C)C,C19H40,Marquardt (2015),IQT,0,104,16.056,2.708,1.546,0.336,0,-0.313,-1.547,0,0.205,1.683,1.702,5.999,0,0,1.931
+UMLCN0256,L,Alkanes,,"2,2-dimethyloctane",CCCCCCC(C)(C)C,C10H22,NREL (2014),Unknown,0,59,4.76,1.792,2.886,0.318,0,0,0,0,0.267,1.547,0.651,6.878,0,0,2.432
+UMLCN0257,L,Alkanes,,"2,6,10-trimethyldodecane (aka farnesane)",CCC(C)CCCC(C)CCCC(C)C,C15H32,NREL (2014),IQT,0,58.6,9.242,2.485,4.201,0.428,0,-1.2,0,0,0.251,1.657,1.644,6.351,-0.802,0,3.524
+UMLCN0258,L,Alkanes,,"7,8-dimethyltetradecane",CCCCCCC(C)C(C)CCCCCC,C16H34,NREL (2014),Unknown,0,40,11.484,2.639,2.462,0.455,0,-0.765,-1.95,0,0.235,1.63,1.735,6.392,-0.594,0,2.985
+UMLCN0259,L,Alkanes,,3-ethylpentane,CCC(CC)CC,C7H16,Marquardt (2015),IQT,0,34.1,4.167,0,2.49,0.262,0,0,0,0,0.298,1.195,0.465,5.46,0,0,1.569
+UMLCN0260,L,Alkanes,,n-hexane,CCCCCC,C6H14,NREL (2014),IQT,0,47.9,5,0.693,0.449,0.232,0,0,0,0,0.272,1.313,0.071,4.043,0,0,0.927
+UMLCN0261,L,Alkanes,,n-heptane,CCCCCCC,C7H16,Marquardt (2015),IQT,0,52.8,6,1.099,0.449,0.246,0,0,0,0,0.258,1.397,0.101,4.344,0,0,0.983
+UMLCN0262,L,Alkanes,,"4,5-diethyloctane",CCCC(CC)C(CC)CCC,C12H26,NREL (2014),Unknown,0,20,7.639,2.398,4.401,0.346,0,-1.732,0,0,0.261,1.488,0.808,6.418,0,0,2.611
+UMLCN0263,L,Alkanes,,5-butylnonane,CCCCC(CCCC)CCCC,C13H28,NREL (2014),Unknown,0,53,10.083,2.565,2.175,0.302,0,-1.496,0,0,0.237,1.506,0.611,5.922,0,0,1.814
+UMLCN0264,L,Alkanes,,2-methylheptadecane,CCCCCCCCCCCCCCCC(C)C,C18H38,Marquardt (2015),IQT,0,91,15.059,2.639,1.546,0.334,0,-0.523,-1.716,0,0.209,1.677,1.629,5.948,-0.214,0,1.921
+UMLCN0265,L,Alkanes,,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,C12H26,NREL (2014),Unknown,0,9,3.806,1.946,7.414,0.372,0,-1.588,0,0,0.271,1.617,0.8,7.599,0,0,4.65
+UMLCN0266,L,Alkanes,,"10,13-dimethyldocosane",CCCCCCCCCC(C)CCC(C)CCCCCCCCC,C24H50,Creton (2011),Unknown,0,56,19.326,3.135,3.037,0.484,0,0.406,-0.829,0,0.201,1.697,2.2,6.512,0.726,0,3.142
+UMLCN0267,L,Alkanes,,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,C7H16,NREL (2014),IQT,0,12.9,1.852,0,3.867,0.262,0,0,0,0,0.277,1.21,0.9,7.116,0,0,2.569
+UMLCN0268,L,Alkanes,,"2,2-dimethylbutane",CCC(C)(C)C,C6H14,Marquardt (2015),IQT,0,24.4,1.633,0,3.056,0.243,0,0,0,0,0.296,1.11,0.394,6.779,0,0,1.875
+UMLCN0269,L,Alkanes,,"9,10-dimethyloctadecane",CCCCCCCCC(C)C(C)CCCCCCCC,C20H42,NREL (2014),Unknown,0,60,15.39,2.89,2.462,0.48,0,0,-1.414,0,0.216,1.669,2.015,6.518,-0.163,0,3.11
+UMLCN0270,L,Alkanes,,n-octane,CCCCCCCC,C8H18,NREL (2014),CFR,0,64,7,1.386,0.449,0.256,0,0,0,0,0.246,1.459,0.32,4.575,0,0,1.024
+UMLCN0271,L,Alkanes,,"2,6-dimethyloctane",CCC(C)CCCC(C)C,C10H22,Marquardt (2015),IQT,0,51.7,5.76,1.792,2.907,0.348,0,0,0,0,0.277,1.554,0.902,5.844,0,0,2.46
+UMLCN0272,L,Alkanes,,"2,2,4,4,6,8,8-heptamethylnonane ",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,C16H34,NREL (2014),CFR,0,15,5.104,2.485,11.882,0.428,0,-1,-1.934,0,0.254,1.694,1.261,8.032,-0.557,0,6.724
+UMLCN0273,L,Alcohols,,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,C18H38O,NREL (2014),Other Ignition Delay Method,0,81,17.924,2.708,0.342,2.67,1,-0.093,-1.558,1,0.229,1.668,1.68,5.759,-0.11,0,5.909
+UMLCN0274,L,Alkanes,,3-ethyldecane,CCCCCCCC(CC)CC,C12H26,NREL (2014),Unknown,0,48,9.091,2.079,2.398,0.32,0,-1.618,0,0,0.245,1.592,0.919,5.832,0,0,1.836
+UMLCN0275,L,Alkanes,,n-heptadecane,CCCCCCCCCCCCCCCCC,C17H36,NREL (2014),Unknown,0,105,16,2.565,0.449,0.292,0,-0.547,-1.865,0,0.188,1.66,1.54,5.624,-0.478,0,1.169
+UMLCN0276,L,Alkanes,,n-eicosane,CCCCCCCCCCCCCCCCCCCC,C20H42,NREL (2014),Unknown,0,110,19,2.773,0.449,0.297,0,0,-1.414,0,0.178,1.681,1.76,5.82,0.092,0,1.187
+UMLCN0277,L,Alkanes,,2-methylpentane,CCCC(C)C,C6H14,NREL (2014),IQT,0,34.5,3.2,0,1.549,0.253,0,0,0,0,0.311,1.264,0.25,4.963,0,0,1.458
+UMLCN0278,L,Alkanes,,n-tetradecane,CCCCCCCCCCCCCC,C14H30,NREL (2014),IQT,0,85.1,13,2.303,0.449,0.285,0,-1.247,0,0,0.201,1.627,1.257,5.38,-0.95,0,1.142
+UMLCN0279,L,Alkanes,,n-decane,CCCCCCCCCC,C10H22,Marquardt (2015),IQT,0,65.5,9,1.792,0.449,0.27,0,0,0,0,0.226,1.542,0.681,4.92,0,0,1.08
+UMLCN0280,L,Alkanes,,"2,5-dimethylundecane",CCCCCCC(C)CCC(C)C,C13H28,NREL (2014),Unknown,0,58,8.592,2.398,2.84,0.411,0,-1.419,0,0,0.254,1.606,1.344,6.019,0,0,2.675
+UMLCN0281,L,Alkanes,,3-methylheptane,CCCCC(C)CC,C8H18O,Marquardt (2015),IQT,0,45,5.143,1.386,1.801,0.329,0,0,0,0,0.285,1.424,0.586,5.389,0,0,1.691
+UMLCN0282,L,Alkanes,,n-nonane,CCCCCCCCC,C9H20,Marquardt (2015),IQT,0,60.9,8,1.609,0.449,0.264,0,0,0,0,0.235,1.506,0.481,4.762,0,0,1.055
+UMLCN0283,L,Alkanes,,2-methylbutane,CCC(C)C,C5H12,NREL (2014),IQT,0,24.9,2.25,0,1.604,0.222,0,0,0,0,0.319,1.081,0.184,4.762,0,0,1.287
+UMLCN0284,L,Alkanes,,n-nonadecane,CCCCCCCCCCCCCCCCCCC,C19H40,NREL (2014),Unknown,0,110,18,2.708,0.449,0.295,0,-0.165,-1.578,0,0.181,1.675,1.692,5.759,-0.094,0,1.182
+UMLCN0285,L,Alkanes,,2-methylhexane,CCCCC(C)C,C7H16,NREL (2014),IQT,0,43.5,4.167,1.099,1.546,0.273,0,0,0,0,0.298,1.38,0.285,5.094,0,0,1.571
+UMLCN0286,L,Alkanes,,n-pentane,CCCCC,C5H12 ,NREL (2014),"20% Blend, CFR",0,30,4,0,0.449,0.212,0,0,0,0,0.29,1.195,0,3.611,0,0,0.847
+UMLCN0287,L,Alkanes,,n-pentadecane,CCCCCCCCCCCCCCC,C15H32,NREL (2014),Unknown,0,96,14,2.398,0.449,0.288,0,-1,0,0,0.196,1.64,1.355,5.468,-0.827,0,1.152
+UMLCN0288,L,Alkanes,,2-methylheptane,CCCCCC(C)C,C8H18,NREL (2014),IQT,0,49.8,5.143,1.386,1.546,0.287,0,0,0,0,0.285,1.457,0.392,5.209,0,0,1.65
+UMLCN0289,L,Alkanes,,3-methylpentane,CCC(C)CC,C6H14,NREL (2014),Unknown,0,30,3.2,0,1.859,0.278,0,0,0,0,0.311,1.195,0.474,5.153,0,0,1.477
+UMLCN0290,L,Alkanes,,4-propyldecane,CCCCCCC(CCC)CCC,C13H28,NREL (2014),Unknown,0,39,10.083,2.398,2.365,0.314,0,-1.573,0,0,0.237,1.577,0.77,5.922,0,0,1.831
+UMLCN0291,L,Alkanes,,n-undecane,CCCCCCCCCCC,C11H24,NREL (2014),"20% Blend, CFR",0,81,10,1.946,0.449,0.275,0,-1.919,0,0,0.219,1.57,0.839,5.056,0,0,1.1
+UMLCN0292,L,Alkanes,,n-tridecane,CCCCCCCCCCCCC,C13H28,NREL (2014),Unknown,0,90,12,2.197,0.449,0.282,0,-1.497,0,0,0.206,1.612,1.125,5.283,0,0,1.13
+UMLCN0293,L,Alkanes,,"2,2,4-trimethylpentane",CC(C)CC(C)(C)C,C8H18,NREL (2014),IQT,0,18,2.52,0,4.355,0.285,0,0,0,0,0.294,1.4,0.505,6.936,0,0,2.785
+UMLCN0294,L,Alkanes,,8-propylpentadecane,CCCCCCCC(CCC)CCCCCCC,C18H38,NREL (2014),Unknown,0,48,15.059,2.833,2.364,0.348,0,-0.311,-1.705,0,0.209,1.64,1.615,6.159,-0.284,0,1.925
+UMLCN0295,L,Alkanes,,"2,3-dimethylpentane",CCC(C)C(C)C,C7H16,NREL (2014),IQT,0,22,3.061,0,2.368,0.296,0,0,0,0,0.293,1.272,0.86,5.894,0,0,2.162
+UMLCN0296,L,Alkanes,,n-dodecane,CCCCCCCCCCCC,C12H26,NREL (2014),IQT,0,72.9,11,2.079,0.449,0.279,0,-1.732,0,0,0.212,1.593,1.002,5.176,0,0,1.116
+UMLCN0297,L,Alkanes,,"2,4-dimethylpentane",CC(C)CC(C)C,C7H16,NREL (2014),IQT,0,28.6,3.061,0,2.578,0.264,0,0,0,0,0.293,1.351,0.452,5.541,0,0,2.111
+UMLCN0298,L,Alkanes,,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,24,3.24,1.946,3.983,0.301,0,0,0,0,0.293,1.501,0.626,6.944,0,0,2.94
+UMLCN0299,L,Alkanes,,"9,10-dipropyloctadecane",CCCCCCCCC(CCC)C(CCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,47,19.326,3.367,4.304,0.391,0,0.518,-0.765,0,0.201,1.67,2.297,6.763,0.489,0,2.878
+UMLCN0300,L,Alkanes,,n-octadecane,CCCCCCCCCCCCCCCCCC,C18H38,NREL (2014),Unknown,0,106,17,2.639,0.449,0.294,0,-0.347,-1.732,0,0.185,1.668,1.625,5.694,-0.286,0,1.176
+UMLCN0301,L,Alkanes,,n-hexadecane,CCCCCCCCCCCCCCCC,C16H34,NREL (2014),CFR,0,100,15,2.485,0.449,0.29,0,-0.765,-1.962,0,0.192,1.651,1.457,5.549,-0.663,0,1.161
+UMLCN0302,L,Alkanes,,"5,6-dibutyldecane",CCCCC(CCCC)C(CCCC)CCCC,C18H38,NREL (2014),Unknown,0,30,13.432,3.219,4.241,0.337,0,-0.347,-1.879,0,0.225,1.581,1.109,6.613,-0.244,0,2.698
+UMLCN0303,L,Alkanes,,7-hexylpentadecane,CCCCCCCCC(CCCCCC)CCCCCC,C21H44,NREL (2014),Unknown,0,83,18.05,3.045,2.175,0.318,0,0.201,-1.292,0,0.197,1.65,2,6.279,0.291,0,1.985
+UMLCN0304,L,Alkanes,,"2,9-dimethyl-5,6-diisopentyldecane",CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C,C22H46,NREL (2014),Unknown,0,48,12.426,3.497,8.765,0.386,0,-0.183,-1,0,0.234,1.647,1.415,7.064,0,0,6.171
+UMLCN0305,L,Alkanes,,9-heptylheptadecane,CCCCCCCCC(CCCCCCC)CCCCCCCC,C24H50,NREL (2014),Unknown,0,88,21.043,3.178,2.364,0.319,0,0.489,-0.765,0,0.188,1.66,2.391,6.385,0.678,0,2.031
+UMLCN0306,L,Naphthenes,,methylcyclopentane,CC1CCCC1,C6H12,NREL (2014),IQT,0,17.2,1.134,1.099,1.066,0.34,0,0,0,0,0.32,1.452,0.057,5.565,0,0,0.681
+UMLCN0307,L,Naphthenes,,"1,3,5-triisopropyl cyclohexane",CC(C)C1CC(CC(C1)C(C)C)C(C)C,C15H30 ,NREL (2014),IQT,0,25.3,4.674,3.611,8.65,0.407,0,-1,-2,0,0.26,1.54,1.257,7.222,-0.834,0,4.89
+UMLCN0308,L,Naphthenes,,2-methyl-3-cyclohexylnonane,CC(C(CCCCCC)C1CCCCC1)C,C16H32,NREL (2014),Unknown,0,63,7.158,3.296,5.551,0.444,0,-1,-1.929,0,0.244,1.637,1.331,6.864,-0.549,0,2.501
+UMLCN0309,L,Naphthenes,,"1,2,4-trimethyl-5-hexadecyl cyclohexane",C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C,C25H50,NREL (2014),Unknown,0,42,13.913,3.638,5.496,0.519,0,0.555,-0.641,0,0.213,1.717,2.221,7.143,0.739,0,3.582
+UMLCN0310,L,Cycloalkenes,,4-methyl-1-cyclohexene,CC1CCC=CC1,C7H12,Kubic (2016),Unknown,0,28,1.504,2.773,2.704,0.309,0,0,0,0,0.505,1.174,0.029,5.638,0,0,1.745
+UMLCN0311,L,Alkynes,,1-heptyne,CCCCCC#C,C7H12,NREL (2014),IQT,0,22,5.208,1.609,1.709,1.019,0,0,0,0,0.462,1.357,0.296,4.344,0,0,2.598
+UMLCN0312,L,Cycloalkenes,Olefins,4-vinyl-1-cyclohexene,C=CC1CCC=CC1,C8H12,Santana (2006),Unknown,0,32,1.899,3.091,4.912,0.75,0,0,0,0,0.543,1.316,0.091,5.838,0,0,2.611
+UMLCN0313,L,Olefins,,"2,4,4-trimethyl-1-pentene",CC(=C)CC(C)(C)C,C8H16,NREL (2014),IQT,0,8.8,2.265,0,4.099,0.84,0,0,0,0,0.454,1.396,0.295,6.936,0,0,3.174
+UMLCN0314,L,Olefins,,2-octene,CCCCCC=CC,C8H16,NREL (2014),"20% Blend, CFR",0,43,6.521,1.792,1.504,0.232,0,0,0,0,0.436,1.457,0.388,4.575,0,0,1.319
+UMLCN0315,L,Olefins,,"2,6-dimethylheptane",CC(C)CCCC(C)C,C9H20,NREL (2014),"20% Blend, CFR",0,51,4.84,1.609,2.643,0.292,0,0,0,0,0.285,1.521,0.615,5.666,0,0,2.336
+UMLCN0316,L,Olefins,,1-undecene,CCCCCCCCCC=C,C11H22,NREL (2014),Unknown,0,65.5,9.51,2.079,1.71,0.708,0,-1.9,0,0,0.369,1.571,0.793,5.056,0,0,1.979
+UMLCN0317,L,Olefins,,1-tetradecene,CCCCCCCCCCCCC=C,C14H28,NREL (2014),Unknown,0,80.9,12.504,2.398,1.71,0.736,0,-1.157,0,0,0.32,1.628,1.194,5.38,-0.95,0,2.093
+UMLCN0318,L,Olefins,,"2,6,7-trimethyl-2,6-tridecadiene",CCCCCCC(=C(C)CCC=C(C)C)C,C16H30,NREL (2014),Unknown,0,24,9.374,3.258,6.564,0.341,0,-0.489,-1.815,0,0.343,1.644,1.482,6.526,-0.566,0,3.151
+UMLCN0319,L,Olefins,,4-butyl-4-dodecene,CCCC(CCCC)=CCCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.135,4.005,0.533,0,-0.596,-1.857,0,0.302,1.632,1.163,6.071,-0.726,0,2.897
+UMLCN0320,L,Olefins,,5-butyl-4-dodecene,CCCC=C(CCCC)CCCCCCC,C16H32 ,NREL (2014),Unknown,0,45,12.6,3.178,3.796,0.509,0,-0.798,-1.854,0,0.302,1.619,1.041,6.071,-0.696,0,2.856
+UMLCN0321,L,Olefins,,"3,12-diethyl-3,11-tetradecadiene",C(C(CC)=CCCCCCCC=C(CC)CC)C,C18H34,NREL (2014),Unknown,0,26,12.552,3.178,7.106,0.464,0,-0.209,-1.37,0,0.332,1.722,1.748,6.438,-0.551,0,3.975
+UMLCN0322,L,Olefins,,1-octadecene,CCCCCCCCCCCCCCCCC=C,C18H36,NREL (2014),Unknown,0,90,16.499,2.708,1.709,0.76,0,-0.337,-1.698,0,0.278,1.668,1.57,5.694,-0.286,0,2.182
+UMLCN0323,L,Olefins,,9-methyl-9-heptadecene,CCCCCCCCC(C)=CCCCCCCC,C18H36,NREL (2014),Unknown,0,66,14.586,3.045,3.063,0.484,0,-0.4,-1.581,0,0.287,1.658,1.87,6.052,-0.205,0,2.738
+UMLCN0324,L,Olefins,,8-propyl-8-pentadecene,CCCCCCCC(CCC)=CCCCCCC,C18H36,NREL (2014),Unknown,0,45,14.586,3.219,4.004,0.555,0,-0.158,-1.523,0,0.285,1.637,1.581,6.159,-0.284,0,3.027
+UMLCN0325,L,Olefins,,"10,13-dimethyl-11-doeicosene",CCCCCCCCCC(C)C=CC(C)CCCCCCCCC,C24H48,NREL (2014),Unknown,0,56,18.864,3.434,6.684,0.489,0,0.438,-0.829,0,0.252,1.695,1.994,6.512,0.726,0,4.721
+UMLCN0326,L,Aromatics,,benzene,C1=CC=CC=C1,C6H6,NREL (2014),CFR,0,14.3,0.914,3.841,0.715,0,0,0,0,0,0.256,0.799,0,4.89,0,0,0
+UMLCN0327,L,Aromatics,,toluene,CC1=CC=CC=C1,C7H8,NREL (2014),IQT,0,6,1.117,4.038,0.659,0.083,0,0,0,0,0.49,1.086,0,5.638,0,0,0.69
+UMLCN0328,L,Aromatics,,ethyl benzene,CCC1=CC=CC=C1,C8H10,NREL (2014),IQT,0,6.3,1.681,4.15,0.967,0.162,0,0,0,0,0.509,1.292,0.038,5.838,0,0,1.234
+UMLCN0329,L,Aromatics,,"1,4-dimethylbenzene",CC1=CC=C(C=C1)C,C8H10,NREL (2014),IQT,0,6.2,1.336,4.298,0.603,0.12,0,0,0,0,0.5,1.215,0.105,6.061,0,0,1.35
+UMLCN0330,V,Aromatics,,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,C9H12,NREL (2014),"80% Blend, IQT",0,8,1.564,4.343,0.546,0.188,0,0,0,0,0.464,1.18,0,6.389,0,0,1.875
+UMLCN0331,V,Aromatics,,n-propylbenzene,CCCC1=CC=CC=C1,C9H12,NREL (2014),"80% Blend, IQT",0,16,2.316,4.219,1.018,0.201,0,0,0,0,0.513,1.423,0.107,5.911,0,0,1.546
+UMLCN0332,V,Aromatics,,"1,2,4,5-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,C10H14,NREL (2014),"20% Blend, CFR",0,1,1.797,4.541,0.573,0.178,0,-2,0,0,0.412,1.254,1.522,6.897,0,0,2.044
+UMLCN0333,V,Aromatics,,naphthalene,C1=CC=C2C=CC=CC2=C1,C10H8O,NREL (2014),"5%–7% Blend, CFR",0,22,1.176,5.29,1.473,0.12,0,-2,0,0,0.302,1.406,0.086,6.603,0,0,1.426
+UMLCN0334,V,Aromatics,,2-methylnaphthalene,CC1=CC2=CC=CC=C2C=C1,C11H10,NREL (2014),"20% Blend, CFR",0,6,1.392,5.411,1.428,0.204,0,-1.665,0,0,0.46,1.475,0.163,6.792,0,0,2.066
+UMLCN0335,V,Aromatics,,n-pentylbenzene,CCCCCC1=CC=CC=C1,C11H16,NREL (2014),Blend,0,18,3.743,4.276,1.02,0.241,0,-1.762,0,0,0.471,1.565,0.42,6.014,0,0,1.893
+UMLCN0336,V,Aromatics,,biphenyl,C1=CC=C(C=C1)C2=CC=CC=C2,C12H10,NREL (2014),"5%–7% Blend, CFR",0,12,1.911,5.154,1.381,0.12,0,-1,0,0,0.278,1.685,0.165,6.655,-1,0,1.563
+UMLCN0337,V,Aromatics,,m-diisopropylbenzene,CC(C)C1=CC(=CC=C1)C(C)C,C12H18,NREL (2014),CFR,0,-3,2.91,4.633,6.813,0.315,0,-1.32,0,0,0.435,1.511,0.637,6.858,0,0,3.649
+UMLCN0338,V,Aromatics,,n-octylbenzene,CCCCCCCCC1=CC=CC=C1,C14H22,NREL (2014),Unknown,0,37.5,6.139,4.317,1.018,0.268,0,-1,0,0,0.409,1.653,0.73,6.151,-0.939,0,2.15
+UMLCN0339,V,Aromatics,,"1,3,5-triisopropylbenzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,C15H24,NREL (2014),"Blend, IQT",0,2.8,3.957,4.973,9.863,0.362,0,-1,-2,0,0.377,1.511,0.751,7.222,-0.834,0,5.383
+UMLCN0340,V,Aromatics,,4-methyl-4-(2-naphthyl)heptane,C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC,C18H24,NREL (2014),Unknown,0,9,4.06,5.603,8.476,0.421,0,-0.445,-1.549,0,0.438,1.726,1.14,7.815,-0.08,0,5.262
+UMLCN0341,V,Aromatics,,2-methyl-4-isobutyl-4-phenylundecane,CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C,C22H38 ,NREL (2014),Unknown,0,18,9.6,4.808,11.627,0.388,0,0.146,-1,0,0.346,1.683,1.416,7.785,0.357,0,6.433
+UMLCN0342,V,Aromatics,,5-butyl-5-phenyltetradecane,C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC,C24H42,NREL (2014),Unknown,0,58,11.965,4.783,9.998,0.395,0,0.469,-0.843,0,0.31,1.687,1.801,7.709,0.729,0,4.838
+UMLCN0343,V,Aromatics,,"1,2,4-trimethyl-5-hexadecyl benzene",C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C,C25H44,NREL (2014),Unknown,0,42,12.82,4.837,1.57,0.393,0,0.733,-0.473,0,0.294,1.718,1.971,7.143,0.739,0,3.511
+UMLCN0344,V,Aromatics,,5-phenyleicosane,CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1,C26H46,NREL (2014),Unknown,0,39,15.768,4.627,5.085,0.336,0,0.926,-0.507,0,0.29,1.716,1.832,6.889,1.058,0,3.681
+UMLCN0345,V,Alcohols,,tert-butanol,CC(C)(C)O,C4H10O,NREL (2014),"Blend, IQT",0,5.6,0.97,0,1.541,2.521,1,0,0,1,0.443,0.761,0,6.597,0,0,5.042
+UMLCN0346,V,Ethers,,dimethoxymethane,COCOC,C3H8O2,NREL (2014),Blend,0,49,3.861,0,0.982,0.969,0,0,0,2,0.431,0.986,0,3.611,0,0,3.875
+UMLCN0347,V,Ethers,,diethyl ether,CCOCC,C4H10O,NREL (2014),Other Ignition Delay Method,0,160,3.93,0,0.048,1.333,0,0,0,1,0.374,1.195,0,3.611,0,0,2.667
+UMLCN0348,V,Ethers,Alcohols,2-butoxyethanol,CCCCOCCO,C6H14O2,NREL (2014),Blend appx. 20% (Method?),0,41,6.855,1.386,0.353,2.241,1,0,0,2,0.448,1.325,0.114,4.575,0,0,7.654
+UMLCN0349,V,Esters,,2-ethylhexyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,C26H52O2,BioCompoundML (2016),Unknown,0,116,22.623,3.434,2.238,4.849,0,0.998,-0.031,2,0.245,1.704,1.769,6.678,1.215,0,15.039
+UMLCN0350,V,Alkanes,,"7,8-diethyltetradecane",CCCCCCC(CC)C(CC)CCCCCC,C18H38,BioCompoundML (2016),Unknown,0,67,13.432,2.944,4.4,0.402,0,-0.347,-1.732,0,0.225,1.631,1.727,6.597,-0.522,0,2.83
+UMLCN0351,V,Esters,,butyl laurate,CCCCCCCCCCCC(=O)OCCCC,C16H32O2,NREL (2014),Blend,0,73,14.4,2.833,0.485,4.303,0,-0.049,-1.581,2,0.291,1.601,1.399,6.052,-0.287,0,12.547
+UMLCN0352,V,Esters,,butyl octanoate,CCCCCCCC(=O)OCCCC,C12H24O2,BioCompoundML (2016),Unknown,0,39.6,10.437,2.565,0.485,4.128,0,-0.84,0,2,0.34,1.558,1.018,5.844,-1.009,0,11.935
+UMLCN0353,V,Esters,Olefins,butyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCC,C22H42O2,NREL (2014),Blend,0,102,19.891,3.332,3.008,4.42,0,0.717,-0.566,2,0.318,1.666,2.096,6.301,0.597,0,14.355
+UMLCN0354,V,Naphthenes,,cyclopentane,C1CCCC1,C5H10,BioCompoundML (2016),Unknown,0,6.1,0.922,0,0.447,0,0,0,0,0,0.235,1.452,0,4.615,0,0,0
+UMLCN0355,V,Acids,,decanoic acid,CCCCCCCCCC(=O)O,C10H20O2,BioCompoundML (2016),Unknown,0,48,8.466,2.197,0.257,3.134,1,-1.607,0,2,0.373,1.535,0.792,5.572,0,0,11.375
+UMLCN0356,V,Esters,,decyl acetate,CCCCCCCCCCOC(=O)C,C12H24O2,BioCompoundML (2016),Unknown,0,62,10.437,2.398,0.263,3.429,0,-0.851,0,2,0.328,1.549,1.13,5.714,-0.993,0,10.024
+UMLCN0357,V,Esters,,decyl caprate,CCCCCCCCCCOC(=O)CCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,81,18.376,3.045,0.485,4.563,0,0.544,-0.839,2,0.259,1.685,1.798,6.225,0.294,0,13.692
+UMLCN0358,V,Esters,,decyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,84,20.367,3.135,0.485,4.635,0,0.623,-0.55,2,0.247,1.691,1.913,6.301,0.748,0,13.932
+UMLCN0359,V,Esters,,decyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,72,22.36,3.219,0.485,4.688,0,0.876,-0.305,2,0.237,1.692,2.006,6.372,0.864,0,14.106
+UMLCN0360,V,Esters,Olefins,decyl oleate,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,C28H54O2,BioCompoundML (2016),Unknown,0,134,25.863,3.526,3.008,4.753,0,1.135,0.147,2,0.277,1.694,2.697,6.5,1.325,0,15.774
+UMLCN0361,V,Esters,,decyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,91,24.353,3.296,0.485,4.729,0,1.076,-0.031,2,0.228,1.693,2.085,6.438,1.223,0,14.239
+UMLCN0362,V,Esters,,decyl valerate,CCCCCCCCCCOC(=O)CCCC,C15H30O2,BioCompoundML (2016),Unknown,0,61,13.407,2.773,0.485,4.187,0,-0.287,-1.673,2,0.301,1.599,1.308,6.004,-0.52,0,12.338
+UMLCN0363,V,Esters,,dibutyl adipate,CCCCOC(=O)CCCCC(=O)OCCCC,C14H26O4,NREL (2014),Blend,0,81,12.208,2.996,0.521,4.235,0,0.14,-1.567,4,0.374,1.559,1.148,6.315,-0.287,0,23.21
+UMLCN0364,V,Esters,,dibutyl azelate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,C17H32O4,BioCompoundML (2016),Unknown,0,83,15.115,3.135,0.521,4.338,0,0.51,-0.72,4,0.338,1.573,1.407,6.418,0.226,0,24.011
+UMLCN0365,V,Esters,,dibutyl malonate,CCCCOC(=O)CC(=O)OCCCC,C11H20O4,NREL (2014),CFR,0,21,9.338,2.833,0.525,4.038,0,-0.455,0,4,0.415,1.55,0.93,6.213,-0.917,0,21.457
+UMLCN0366,V,Aromatics,Esters,dibutyl phthalate,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,C16H22O4,BioCompoundML (2016),Unknown,0,38,7.782,4.989,2.393,4.945,0,0.262,-0.874,4,0.495,1.553,0.661,7.177,0.126,0,26.415
+UMLCN0367,V,Esters,,dibutyl succinate,CCCCOC(=O)CCC(=O)OCCCC,C12H22O4,Jenkins (2013),CFR,0,21,10.289,3.091,0.521,4.122,0,-0.12,-1.595,4,0.405,1.553,1.016,6.24,-0.68,0,22.243
+UMLCN0368,V,Esters,,diethyl adipate,CCOC(=O)CCCCC(=O)OCC,C10H18O4,BioCompoundML (2016),Unknown,0,15,8.393,2.485,0.137,3.875,0,-0.753,0,4,0.439,1.404,0.847,6.159,-0.993,0,20.465
+UMLCN0369,V,Esters,,diethyl azelate,CCOC(=O)CCCCCCCC(=O)OCC,C13H24O4,BioCompoundML (2016),Unknown,0,47,11.247,2.708,0.137,4.01,0,0.059,-1.52,4,0.389,1.514,1.161,6.279,-0.575,0,21.35
+UMLCN0370,V,Esters,,diethyl butanedioate,CCOC(=O)CCC(=O)OCC,C8H14O4,NREL (2014),CFR,0,21,6.53,2.639,0.137,3.722,0,-0.989,0,4,0.46,1.356,0.645,6.071,0,0,19.382
+UMLCN0371,V,Esters,,diethyl oxalate,CCOC(=O)C(=O)OCC,C6H10O4,BioCompoundML (2016),Unknown,0,21,4.719,2.079,0.292,3.436,0,0,0,4,0.492,1.323,0.174,6.168,0,0,17.116
+UMLCN0372,V,Esters,,diethyl sebacate,CCOC(=O)CCCCCCCCC(=O)OCC,C14H26O4,BioCompoundML (2016),Unknown,0,47,12.208,2.773,0.137,4.041,0,0.165,-1.21,4,0.374,1.545,1.264,6.315,-0.361,0,21.548
+UMLCN0373,V,Esters,,dihexyl azelate,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,C21H40O4,BioCompoundML (2016),Unknown,0,99,19.025,3.296,0.521,4.537,0,0.881,-0.242,4,0.302,1.637,1.802,6.541,0.68,0,25.666
+UMLCN0374,V,Aromatics,Esters,dihexyl phthalate,CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,C20H30O4,BioCompoundML (2016),Unknown,0,48,11.005,5.016,2.393,5.188,0,0.874,-0.426,4,0.43,1.632,1.422,7.236,0.669,0,28.397
+UMLCN0375,V,Esters,,dimethyl adipate,COC(=O)CCCCC(=O)OC,C8H14O4,BioCompoundML (2016),Unknown,0,5,6.53,2.303,0.02,3.588,0,-1.039,0,4,0.46,1.324,0.881,6.043,0,0,18.064
+UMLCN0376,V,Esters,,dimethyl azelate,COC(=O)CCCCCCCC(=O)OC,C11H20O4,BioCompoundML (2016),Unknown,0,24,9.338,2.565,0.02,3.745,0,-0.369,0,4,0.395,1.501,1.148,6.176,-0.836,0,19.077
+UMLCN0377,V,Esters,,dimethyl malonate,COC(=O)CC(=O)OC,C5H8O4,BioCompoundML (2016),Unknown,0,15,3.843,1.946,0.024,3.258,0,0,0,4,0.529,1.09,0.393,5.905,0,0,15.764
+UMLCN0378,V,Aromatics,Esters,dimethyl phthalate,COC(=O)C1=CC=CC=C1C(=O)OC,C10H10O4,BioCompoundML (2016),Unknown,0,19,3.514,4.889,1.903,4.225,0,-0.575,0,4,0.588,1.169,0.11,7.071,-0.922,0,20.998
+UMLCN0379,V,Esters,,dioctyl adipate,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,BioCompoundML (2016),Unknown,0,89,20.007,3.332,0.521,4.603,0,1.002,-0.071,4,0.294,1.671,1.88,6.569,0.753,0,26.116
+UMLCN0380,V,Esters,,dioctyl sebacate,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,C26H50O4,BioCompoundML (2016),Unknown,0,70,20.981,3.689,3.835,4.863,0,1.329,0.276,4,0.296,1.704,1.848,7.033,1.415,0,28.687
+UMLCN0381,V,Ethers,,dipentyl ether,CCCCCOCCCCC,C10H22O,NREL (2014),IQT,0,111,9.926,1.946,0.461,1.938,0,-1.745,0,1,0.296,1.57,0.761,5.056,0,0,4.753
+UMLCN0382,V,Esters,,dodecyl acetate,CCCCCCCCCCCCOC(=O)C,C14H28O2,BioCompoundML (2016),Unknown,0,77,12.416,2.565,0.278,3.482,0,-0.427,-1.939,2,0.301,1.597,1.371,5.838,-0.674,0,10.22
+UMLCN0383,V,Esters,,dodecyl laurate,CCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C24H48O2,BioCompoundML (2016),Unknown,0,85,22.36,3.219,0.485,4.688,0,0.925,-0.297,2,0.237,1.701,2.006,6.372,0.858,0,14.124
+UMLCN0384,V,Esters,,dodecyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC,C26H52O2,BioCompoundML (2016),Unknown,0,74,24.353,3.296,0.485,4.742,0,0.942,-0.031,2,0.228,1.705,2.092,6.438,1.223,0,14.298
+UMLCN0385,V,Esters,,dodecyl valerate,CCCCCCCCCCCCOC(=O)CCCC,C17H34O2,BioCompoundML (2016),Unknown,0,67,15.393,2.89,0.485,4.24,0,0.068,-1.475,2,0.282,1.613,1.465,6.098,-0.017,0,12.538
+UMLCN0386,V,Esters,,ethyl laurate,CCCCCCCCCCCC(=O)OCC,C14H28O2,BioCompoundML (2016),Unknown,0,73,12.416,2.565,0.293,4.028,0,-0.493,-1.93,2,0.313,1.593,1.27,5.953,-0.704,0,11.297
+UMLCN0387,V,Esters,Ketones,ethyl levulinate,CCOC(=O)CCC(=O)C,C7H12O3,NREL (2014),IQT,0,6,4.772,2.485,0.113,3.573,0,0,0,3,0.513,1.343,0.411,5.861,0,0,16.038
+UMLCN0388,V,Esters,Olefins,ethyl linoleate,CCCCCC=CCC=CCCCCCCCC(=O)OCC,C20H36O2,BioCompoundML (2016),Unknown,0,44.4,17.437,3.434,4.965,4.14,0,0.548,-0.78,2,0.388,1.667,1.659,6.225,0.392,0,13.909
+UMLCN0389,V,Esters,Olefins,ethyl linolenate,CCC=CCC=CCC=CCCCCCCCC(=O)OCC,C20H34O2,BioCompoundML (2016),Unknown,0,27,16.977,3.584,7.059,4.136,0,0.622,-0.721,2,0.423,1.671,1.587,6.225,0.392,0,14.183
+UMLCN0390,V,Esters,,glycerol triacetate,CC(=O)OCC(COC(=O)C)OC(=O)C,C9H14O6,BioCompoundML (2016),Unknown,0,5,6.708,3.135,0.606,3.64,0,-0.064,0,6,0.463,1.305,0.518,6.518,-1.024,0,28.322
+UMLCN0391,V,Esters,,hexadecyl acetate,CCCCCCCCCCCCCCCCOC(=O)C,C18H36O2,BioCompoundML (2016),Unknown,0,86,16.387,2.833,0.263,3.555,0,0.26,-1.194,2,0.264,1.652,1.689,6.047,0.095,0,10.479
+UMLCN0392,V,Esters,,hexadecyl laurate,CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC,C28H56O2,BioCompoundML (2016),Unknown,0,88,26.348,3.367,0.485,4.762,0,1.059,0.131,2,0.22,1.704,2.146,6.5,1.349,0,14.38
+UMLCN0393,V,Esters,,hexyl decanoate ,CCCCCCCCCC(=O)OCCCCCC,C16H32O2,BioCompoundML (2016),Unknown,0,64,14.4,2.833,0.485,4.389,0,-0.049,-1.61,2,0.291,1.634,1.49,6.052,-0.291,0,13.006
+UMLCN0394,V,Esters,,hexyl laurate,CCCCCCCCCCCC(=O)OCCCCCC,C18H36O2,BioCompoundML (2016),Unknown,0,74,16.387,2.944,0.485,4.461,0,0.186,-1.214,2,0.274,1.637,1.634,6.142,0,0,13.251
+UMLCN0395,V,Esters,,hexyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,72,18.376,3.045,0.485,4.514,0,0.488,-0.874,2,0.259,1.643,1.75,6.225,0.406,0,13.429
+UMLCN0396,V,Esters,Olefins,hexyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC,C24H46O2,BioCompoundML (2016),Unknown,0,102,21.88,3.401,3.008,4.578,0,0.881,-0.206,2,0.302,1.668,2.373,6.372,0.885,0,15.073
+UMLCN0397,V,Esters,,hexyl palmitate,CCCCCCCCCCCCCCCC(=O)OCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,87,20.367,3.135,0.485,4.555,0,0.764,-0.539,2,0.247,1.656,1.852,6.301,0.673,0,13.564
+UMLCN0398,V,Esters,,isobutyl stearate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)C,C22H44O2,BioCompoundML (2016),Unknown,0,99,18.68,3.219,1.393,4.459,0,0.698,-0.696,2,0.267,1.669,1.536,6.447,0.533,0,13.126
+UMLCN0399,V,Esters,,isopropyl decanoate,CCCCCCCCCC(=O)OC(C)C,C13H26O2,BioCompoundML (2016),Unknown,0,46.6,9.918,2.485,1.059,4.166,0,-0.928,0,2,0.333,1.557,1.037,6.125,-0.861,0,11.894
+UMLCN0400,V,Acids,Olefins,linoleic acid,CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,BioCompoundML (2016),Unknown,0,31,15.458,3.367,4.928,3.319,1,0.342,-1.136,2,0.412,1.666,1.451,6.047,0,0,14.268
+UMLCN0401,V,Esters,Olefins,"methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate",CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC,C23H34O2,NREL (2014),IQT,0,24.4,18.576,4.382,2.337,3.809,0,0.841,-0.412,2,0.417,1.698,1.864,6.326,0.877,0,10.963
+UMLCN0402,V,Esters,,methyl arachidate,CCCCCCCCCCCCCCCCCCCC(=O)OC,C21H42O2,BioCompoundML (2016),Unknown,0,100,19.371,2.996,0.234,3.95,0,0.633,-0.665,2,0.244,1.68,1.886,6.252,0.574,0,10.746
+UMLCN0403,V,Esters,,methyl butanoate,CCCC(=O)OC,C5H10O2,BioCompoundML (2016),Unknown,0,6.4,3.616,0.693,0.234,3.19,0,0,0,2,0.522,1.119,0.26,5.293,0,0,8.082
+UMLCN0404,V,Esters,Olefins,methyl erucate,CCCCCCCCC=CCCCCCCCCCCCC(=O)OC,C23H44O2,BioCompoundML (2016),Unknown,0,74.2,20.885,3.296,2.758,3.967,0,0.888,-0.358,2,0.302,1.69,2.301,6.326,0.877,0,12.36
+UMLCN0405,V,Esters,Olefins,methyl gamma-linolenate,CCCCCC=CCC=CCC=CCCCCC(=O)OC,C19H32O2,BioCompoundML (2016),Unknown,0,29.2,15.99,3.611,7.054,3.891,0,0.539,-0.786,2,0.429,1.67,1.586,6.172,0.213,0,13.172
+UMLCN0406,V,Esters,Olefins,methyl gondoate,CCCCCCCCC=CCCCCCCCCCC(=O)OC,C21H40O2,BioCompoundML (2016),Unknown,0,73.2,18.897,3.219,2.758,3.944,0,0.652,-0.65,2,0.318,1.679,2.108,6.252,0.574,0,12.216
+UMLCN0407,V,Esters,Olefins,methyl petroselinate,CCCCCCCCCCCC=CCCCCC(=O)OC,C19H36O2,BioCompoundML (2016),Unknown,0,58.6,16.911,3.135,2.758,3.905,0,0.456,-0.93,2,0.337,1.669,1.983,6.172,0.213,0,11.718
+UMLCN0408,V,Esters,Olefins,methyl ricinoleate,CCCCCCC(CC=CCCCCCCCC(=O)OC)O,C19H36O3,NREL (2014),IQT,0,37.4,16.201,3.258,2.798,3.92,1,0.594,-0.701,3,0.385,1.665,1.989,6.441,0.237,0,18.772
+UMLCN0409,V,Esters,Olefins,methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate,CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC,C21H34O2,BioCompoundML (2016),Unknown,0,29.6,17.509,3.829,9.202,3.904,0,0.897,-0.549,2,0.428,1.687,1.461,6.252,0.574,0,13.767
+UMLCN0410,V,Esters,Olefins,methyl-9-decenoate,COC(=O)CCCCCCCC=C,C11H20O2,BioCompoundML (2016),Unknown,0,38.3,9.011,2.398,1.495,3.712,0,-1.059,0,2,0.468,1.539,0.98,5.765,0,0,10.845
+UMLCN0411,V,Esters,,octadecyl acetate,CCCCCCCCCCCCCCCCCCOC(=O)C,C20H40O2,BioCompoundML (2016),Unknown,0,90,18.376,2.944,0.278,3.582,0,0.449,-0.819,2,0.25,1.669,1.824,6.138,0.272,0,10.569
+UMLCN0412,V,Esters,,octyl laurate,CCCCCCCCCCCC(=O)OCCCCCCCC,C20H40O2,BioCompoundML (2016),Unknown,0,84,18.376,3.045,0.485,4.563,0,0.538,-0.933,2,0.259,1.671,1.793,6.225,0.317,0,13.661
+UMLCN0413,V,Esters,,octyl myristate,CCCCCCCCCCCCCC(=O)OCCCCCCCC,C22H44O2,BioCompoundML (2016),Unknown,0,71,20.367,3.135,0.485,4.616,0,0.695,-0.527,2,0.247,1.672,1.897,6.301,0.723,0,13.837
+UMLCN0414,V,Esters,Olefins,octyl oleate,CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC,C26H50O2,NREL (2014),Blend,0,131,23.871,3.466,3.008,4.681,0,1.131,-0.029,2,0.289,1.676,2.561,6.438,1.211,0,15.495
+UMLCN0415,V,Esters,,octyl valerate,CCCCCCCCOC(=O)CCCC,C13H26O2,BioCompoundML (2016),Unknown,0,49,11.426,2.639,0.485,4.115,0,-0.672,0,2,0.325,1.592,1.122,5.9,-0.823,0,12.057
+UMLCN0416,V,Esters,,pentyl pentanoate,CCCCCOC(=O)CCCC,C10H20O2,BioCompoundML (2016),Unknown,0,28.2,8.466,2.398,0.485,3.943,0,-1.598,0,2,0.375,1.568,0.72,5.72,0,0,11.323
+UMLCN0417,V,Naphthenes,,Perhydro-phenanthrene,C1CCC2C(C1)CCC3C2CCCC3,C14H24,BioCompoundML (2016),Unknown,0,38.8,2.553,4.025,6.536,0.089,0,-0.909,-2,0,0.238,1.637,0.98,7.279,-0.784,0,1.367
+UMLCN0418,V,Esters,,propyl laurate,CCCCCCCCCCCC(=O)OCCC,C15H30O2,BioCompoundML (2016),Unknown,0,71,13.407,2.773,0.485,4.187,0,-0.265,-1.728,2,0.301,1.596,1.254,6.004,-0.484,0,11.957
+UMLCN0419,V,Esters,,propyl myristate,CCCCCCCCCCCCCC(=O)OCCC,C17H34O2,BioCompoundML (2016),Unknown,0,71,15.393,2.89,0.485,4.24,0,0.074,-1.364,2,0.282,1.628,1.42,6.098,-0.028,0,12.139
+UMLCN0420,V,Esters,,tetradecyl acetate,CCCCCCCCCCCCCCOC(=O)C,C16H32O2,BioCompoundML (2016),Unknown,0,81,14.4,2.708,0.259,3.523,0,-0.052,-1.605,2,0.281,1.63,1.518,5.948,-0.232,0,10.366
+UMLCN0421,V,Ethers,,triethyleneglycol dimethyl ether,COCCOCCOCCOC,C8H18O4,BioCompoundML (2016),Unknown,0,120,10.703,2.079,0.216,1.663,0,-1.236,0,4,0.32,1.368,0.193,5.176,0,0,11.858
+UMLCN0422,V,Cyclic Ethers,Aromatics,furan,C1=COC=C1,C4H4O,NREL (2014),IQT,0,7,0.555,0,0.005,1.083,0,0,0,1,0.521,1.179,0,4.615,0,0,2.167
+UMLCN0423,V,Alkanes,,"2,3,4-trimethylpentane",CC(C)C(C)C(C)C,C8H18,Kubic (2016),Unknown,0,14,3.111,0,3.561,0.315,0,0,0,0,0.255,1.351,1.246,6.326,0,0,2.889
+UMLCN0424,V,Naphthenes,,"1,1,2,4-tetramethylcyclopentane",CC1CC(C(C1)(C)C)C,C9H18,Kubic (2016),Unknown,0,34.2,1.58,2.485,5.974,0.39,0,0,0,0,0.322,1.577,0.639,7.458,0,0,3.05
+UMLCN0425,V,Naphthenes,,"1,1,2-Trimethylcyclohexane",CC1CCCCC1(C)C,C9H18,Kubic (2016),Unknown,0,29,1.833,2.565,5.753,0.4,0,0,0,0,0.316,1.279,0.808,7.347,0,0,2.375
+UMLCN0426,V,Alkanes,,"2,3,3-Trimethylpentane",CCC(C)(C)C(C)C,C8H18,Kubic (2016),Unknown,0,17,2.52,0,4.144,0.317,0,0,0,0,0.294,1.279,1.561,7.236,0,0,2.894
+UMLCN0427,V,Alkanes,,"2,2,3-Trimethylpentane",CCC(C)C(C)(C)C,C8H18,Kubic (2016),Unknown,0,14,2.52,0,3.95,0.306,0,0,0,0,0.294,1.319,1.256,7.169,0,0,2.86
+UMLCN0428,V,Alkanes,,"3,4-Dimethylhexane",CCC(C)C(C)CC,C8H18,Kubic (2016),Unknown,0,20,3.938,0.693,2.578,0.328,0,0,0,0,0.291,1.347,1.155,6.052,0,0,2.353
+UMLCN0429,V,Alkanes,,"2,4-Dimethylhexane",CCC(C)CC(C)C,C8H18,Kubic (2016),Unknown,0,29,3.938,1.099,2.833,0.319,0,0,0,0,0.291,1.41,0.713,5.74,0,0,2.288
+UMLCN0430,V,Alkanes,,"3,3-Diethylpentane",CCC(CC)(CC)CC,C9H20,Kubic (2016),Unknown,0,17,3.92,0,8.328,0.302,0,0,0,0,0.276,1.195,1.483,7.21,0,0,2.417
+UMLCN0431,V,Alkanes,,2-Methyl-3-ethylpentane,CCC(CC)C(C)C,C8H18,Kubic (2016),Unknown,0,12,3.938,0,4.157,0.303,0,0,0,0,0.291,1.292,1.208,6.066,0,0,2.301
+UMLCN0432,V,Alkanes,,n-butane,CCCC,C4H10,NREL (2014),IQT,0,20.6,3,0,0.449,0.181,0,0,0,0,0.31,1.023,0,2.833,0,0,0.722
+UMLCN0433,V,Alkanes,,"2,2-Dimethylpentane",CCCC(C)(C)C,C7H16,Kubic (2016),Unknown,0,30,2.344,0,2.886,0.274,0,0,0,0,0.293,1.301,0.481,6.815,0,0,2.101
+UMLCN0434,V,Alkanes,,3-methylhexane,CCCC(C)CC,C7H16,NREL (2014),IQT,0,42,4.167,0.693,1.801,0.309,0,0,0,0,0.298,1.327,0.561,5.293,0,0,1.603
+UMLCN0435,V,Naphthenes,,n-Propylcyclopentane,CCCC1CCCC1,C8H16,Kubic (2016),Unknown,0,37,2.382,1.946,1.235,0.29,0,0,0,0,0.277,1.452,0.364,5.855,0,0,0.685
+UMLCN0436,V,Alkanes,,"2,2-Dimethylhexane",CCCCC(C)(C)C,C8H18,Kubic (2016),Unknown,0,40,3.111,1.386,2.886,0.294,0,0,0,0,0.285,1.418,0.44,6.836,0,0,2.249
+UMLCN0437,V,Alkanes,,"2,2-Dimethylheptane",CCCCCC(C)(C)C,C9H20,Kubic (2016),Unknown,0,49,3.92,1.609,2.886,0.308,0,0,0,0,0.276,1.494,0.563,6.858,0,0,2.354
+UMLCN0438,V,Alkanes,,2-Methyloctane,CCCCCCC(C)C,C9H20,Kubic (2016),Unknown,0,39,6.125,1.609,1.546,0.298,0,0,0,0,0.273,1.512,0.545,5.313,0,0,1.709
+UMLCN0439,V,Esters,,dioctyl sebacate ,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,C26H50O4,Kubic (2016),Unknown,0,70,23.946,3.466,0.521,4.689,0,1.291,0.255,4,0.269,1.673,2.009,6.676,1.354,0,26.806
+UMLCN0440,V,Aromatics,Ethers,anisole,COC1=CC=CC=C1,C7H8O,NREL (2014),IQT,0,6,1.649,4.15,0.889,1.414,0,0,0,1,0.53,1.064,0.176,5.838,0,0,2.828
+UMLCN0441,V,Aromatics,Ethers,4-methylanisole,CC1=CC=C(C=C1)OC,C8H10O,NREL (2014),IQT,0,7.4,1.854,4.386,0.834,1.469,0,0,0,1,0.581,1.157,0.315,6.196,0,0,3.155
+UMLCN0442,V,Aromatics,Ethers,guaiacol,COC1=CC=CC=C1O,C7H8O2,NREL (2014),IQT,0,19.3,1.824,4.298,0.889,2.986,1,0,0,2,0.636,1.064,0.217,6.365,0,0,8.561
+UMLCN0443,V,Aromatics,Ethers,4-propylanisole,CCCC1=CC=C(C=C1)OC,C10H14O,NREL (2014),IQT,0,7.5,3.118,4.517,1.188,1.547,0,-1.602,0,1,0.556,1.43,0.538,6.361,0,0,3.938
+UMLCN0444,V,Aromatics,Alcohols,2-phenylethanol,C1=CC=C(C=C1)CCO,C8H10O,NREL (2014),IQT,0,8,2.28,4.219,0.917,2.52,1,0,0,1,0.584,1.295,0.057,5.911,0,0,5.08
+UMLCN0445,V,Aromatics,Ethers,4-methylguaiacol,CC1=CC(=C(C=C1)O)OC,C8H10O2,NREL (2014),IQT,0,19.8,2.043,4.529,0.827,3.11,1,-2,0,2,0.657,1.134,0.183,6.6,0,0,8.971
+UMLCN0446,V,Aromatics,Phenols,4-propylphenol,CCCC1=CC=C(C=C1)O,C9H12O,NREL (2014),IQT,0,8.6,2.461,4.44,1.086,2.925,1,-2,0,1,0.611,1.424,0.152,6.248,0,0,6.141
+UMLCN0447,V,Aromatics,Ethers,4-ethylguaiacol,CCC1=CC(=C(C=C1)O)OC,C9H12O2,NREL (2014),IQT,0,19.6,2.629,4.622,1.128,3.205,1,-1.515,0,2,0.634,1.303,0.216,6.681,0,0,9.409
+UMLCN0448,T,Aromatics,Ethers,4-propylguaiacol,CCCC1=CC(=C(C=C1)O)OC,C10H14O2,NREL (2014),IQT,0,18,3.261,4.665,1.18,3.278,1,-1.277,0,2,0.613,1.428,0.255,6.713,0,0,9.769
+UMLCN0449,T,Aromatics,Ethers,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,C8H10O3,McCormick (2015),Unknown,0,26,2.596,4.553,0.968,3.339,1,-1.413,0,3,0.607,1.101,0.593,6.788,0,0,12.107
+UMLCN0450,T,Aromatics,Ethers,"4-methyl-2,6-dimethoxyphenol",CC1=CC(=C(C(=C1)OC)O)OC,C9H12O3,NREL (2014),IQT,0,25,2.812,4.756,0.899,3.463,1,-1.413,0,3,0.602,1.144,0.513,6.954,0,0,12.68
+UMLCN0451,T,Cyclic Ethers,Aromatics,furfural,C1=COC(=C1)C=O,C5H4O2,NREL (2014),IQT,0,13.9,1.047,3.204,1.415,2.774,0,0,0,2,0.661,1.275,0,5.778,0,0,7.777
+UMLCN0452,T,Aromatics,Cyclic,indan,C1CC2=CC=CC=C2C1,C9H10,NREL (2014),IQT,0,8.6,1.048,4.525,0.586,0.238,0,-2,0,0,0.526,1.446,0.019,6.592,0,0,1.47
+UMLCN0453,T,Naphthenes,,tetrahydro-dicyclopentadiene,C1CC2C3CCC(C3)C2C1,C10H16,NREL (2014),IQT,0,20.4,1,3.714,4.877,0.12,0,-1.618,0,0,0.278,1.554,0.408,7.277,0,0,1.069
+UMLCN0454,T,Ketones,Cyclic,cyclopentanone,C1CCC(=O)C1,C5H8O,NREL (2014),IQT,0,9,0.91,1.609,0.673,3.243,0,0,0,1,0.463,1.418,0,5.565,0,0,6.486
+UMLCN0455,T,Alkenes,,ocimene,CC(=CCC=C(C)C=C)C,C10H16,NREL (2014),IQT,0,28,4.649,3.045,4.586,0.669,0,0,0,0,0.526,1.543,0.654,5.844,0,0,2.63
+UMLCN0456,T,Alkenes,,farnesene,CC(=CCCC(=CCC=C(C)C=C)C)C,C15H24,NREL (2014),IQT,0,32,7.71,3.555,7.74,0.731,0,-0.826,0,0,0.47,1.664,1.355,6.351,-0.802,0,4.221
+UMLCN0457,T,Alkenes,Alcohols,farnesol,CC(=CCCC(=CCCC(=CCO)C)C)C,C15H26O,NREL (2014),IQT,0,24,8.93,3.367,7.072,2.715,1,-0.32,-1.641,1,0.428,1.664,1.604,6.395,-0.644,0,7.733
+UMLCN0458,T,Esters,Ketones,methyl levulinate,CC(=O)CCC(=O)OC,C6H10O3,NREL (2014),IQT,0,7.8,3.894,2.398,0.322,3.342,0,0,0,3,0.53,1.207,0.455,5.784,0,0,14.815
+UMLCN0459,T,Esters,,methyl acetate,CC(=O)OC,C3H6O2,NREL (2014),IQT,0,19.5,1.772,0,0.012,2.59,0,0,0,2,0.592,0.942,0.26,4.762,0,0,6.403
+UMLCN0460,T,Aromatics,,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,C9H12,NREL (2014),IQT,0,10.1,1.564,4.343,0.603,0.157,0,0,0,0,0.464,1.18,1.163,6.621,0,0,1.634
+UMLCN0461,T,Cycloalkenes,Cyclic,3-carene,CC1=CCC2C(C1)C2(C)C,C10H16,NREL (2014),IQT,0,27,1.073,3.85,6.133,0.427,0,-1.765,0,0,0.461,1.476,0.709,8.069,0,0,3.036
+UMLCN0462,T,Cycloalkenes,Alkenes,caryophyllene,CC1=CCCC(=C)C2CC(C2CC1)(C)C,C15H24,NREL (2014),IQT,0,29,2.788,4.043,10.054,1.302,0,-0.815,-1.796,0,0.468,1.717,1.765,7.886,-0.646,0,5.731
+UMLCN0463,T,Naphthenes,,"1,3-dimethylcyclohexane",CC1CCCC(C1)C,C8H16,NREL (2014),IQT,0,30.5,1.929,2.398,4.858,0.371,0,0,0,0,0.309,1.271,0.368,6.075,0,0,1.483
+UMLCN0464,T,Naphthenes,,"1,2-dimethylcyclohexane",CC1CCCCC1C,C8H16,NREL (2014),IQT,0,24,1.929,2.398,5.122,0.379,0,0,0,0,0.309,1.214,0.57,6.24,0,0,1.515
+UMLCN0465,T,Aromatics,,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,C12H18,NREL (2014),IQT,0,7.6,3.334,4.707,1.475,0.319,0,-1.524,0,0,0.428,1.385,0.228,6.661,0,0,3.211
+UMLCN0466,T,Naphthenes,,2-ethyladamantane,CCC1C2CC3CC(C2)CC1C3,C12H20,NREL (2014),IQT,0,42.7,1.54,4.111,12.374,0.41,0,-1,0,0,0.285,1.415,0.614,7.326,-1,0,1.842
+UMLCN0467,T,Alkenes,,"2,4-dimethyl-2-heptene",CCCC(C)C=C(C)C,C9H18,NREL (2014),IQT,0,27,4.47,1.946,4.006,0.337,0,0,0,0,0.412,1.449,0.475,5.82,0,0,2.321
+UMLCN0468,T,Alcohols,,4-heptanol,CCCC(CCC)O,C7H16O,NREL (2014),IQT,0,21,5.08,1.099,0.541,3.049,1,0,0,1,0.382,1.397,0.325,5.416,0,0,6.483
+UMLCN0469,T,Naphthenes,,propyladamantane,CCCC12CC3CC(C1)CC(C3)C2,C13H22,NREL (2014),IQT,0,48.6,1.757,4.159,10.832,0.374,0,-1,-2,0,0.289,1.491,0.442,7.742,-1,0,2.049
+UMLCN0470,T,Naphthenes,,1-butyladamantane,CCCCC12CC3CC(C1)CC(C3)C2,C14H24,NREL (2014),IQT,0,49.1,2.146,4.205,10.832,0.348,0,-1,-2,0,0.277,1.552,0.428,7.751,-0.863,0,2.096
+UMLCN0471,T,Ketones,,4-nonanone,CCCCCC(=O)CCC,C9H18O,NREL (2014),IQT,0,43,6.57,1.946,0.45,3.918,0,0,0,1,0.353,1.501,0.425,5.58,0,0,8.256
+UMLCN0472,T,Ketones,,6-undecanone,CCCCCC(=O)CCCCC,C11H22O,NREL (2014),IQT,0,49,8.532,2.398,0.45,4.193,0,-1.677,0,1,0.32,1.57,0.803,5.72,0,0,9.058
+UMLCN0473,T,Esters,,butyl hexanoate,CCCCCC(=O)OCCCC,C10H20O2,NREL (2014),IQT,0,31,8.466,2.398,0.485,3.97,0,-1.576,0,2,0.375,1.545,0.741,5.72,0,0,11.352
+UMLCN0474,T,Alcohols,,2-heptanol,CCCCCC(C)O,C7H16O,NREL (2014),IQT,0,25,5.08,1.386,0.525,2.779,1,0,0,1,0.382,1.398,0.232,5.209,0,0,5.895
+UMLCN0475,T,Alcohols,,4-nonanol,CCCCCC(CCC)O,C9H20O,NREL (2014),IQT,0,28,7.045,1.792,0.541,3.276,1,0,0,1,0.336,1.506,0.613,5.58,0,0,7.153
+UMLCN0476,T,Esters,,ethyl octanoate,CCCCCCCC(=O)OCC,C10H20O2,NREL (2014),IQT,0,42.2,8.466,2.197,0.293,3.854,0,-1.412,0,2,0.375,1.47,0.795,5.72,0,0,10.698
+UMLCN0477,T,Esters,,hexyl butyrate,CCCCCCOC(=O)CCC,C10H20O2,NREL (2014),IQT,0,29,8.466,2.197,0.485,3.854,0,-1.41,0,2,0.375,1.534,0.695,5.72,0,0,11.027
+UMLCN0478,T,Esters,,hexyl hexanoate,CCCCCCOC(=O)CCCCC,C12H24O2,NREL (2014),IQT,0,40,10.437,2.565,0.485,4.128,0,-0.987,0,2,0.34,1.61,1.068,5.844,-1.019,0,12.074
+UMLCN0479,T,Esters,,pentyl acetate,CCCCCOC(=O)C,C7H14O2,NREL (2014),IQT,0,23.6,5.534,1.792,0.263,3.185,0,0,0,2,0.442,1.326,0.405,5.313,0,0,9.017
+UMLCN0480,T,Cyclic Ethers,Aromatics,furfuryl ethyl ether,CCOCC1=CC=CO1,C7H10O2,NREL (2014),IQT,0,18.4,2.487,3.234,0.384,1.584,0,0,0,2,0.646,1.342,0.072,5.911,0,0,6.189
+UMLCN0481,T,Cyclic Ethers,Ethers,ethyl tetrahydrofurfuryl ether,CCOCC1CCCO1,C7H14O2,NREL (2014),IQT,0,78.9,3.014,2.197,0.52,1.83,0,0,0,2,0.404,1.363,0.198,5.911,0,0,7.063
+UMLCN0482,T,Esters,Olefins,dibutyl fumarate,CCCCOC(=O)C=CC(=O)OCCCC,C12H20O4,Jenkins (2013),CFR,0,23,9.879,3.555,0.594,4.035,0,-0.37,-1.737,4,0.471,1.552,0.914,6.24,-0.68,0,21.477
diff --git a/tests/cn_model_v2.0.csv b/tests/cn_model_v2.0.csv
new file mode 100644
index 0000000..2d1831a
--- /dev/null
+++ b/tests/cn_model_v2.0.csv
@@ -0,0 +1,484 @@
+"DATAID","ASSIGNMENT","STRING","STRING","STRING","STRING","STRING","STRING","STRING","TARGET","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT","INPUT"
+"DATAID","ASSIGNMENT","Compound Name","SMILES","Formula","Compound Group","CG2","Source","Method","Target","RotBFrac","AVP-5","GATS2m","GATS2c","GATS2e","AATSC1e","RDF140p","SIC1","AVP-6","SssCH2","DPSA-1","ATSC2c","ATSC1e","CIC4","ALogP"
+"UMLCN0001","L","5,5'-(furan-2-ylmethylene)bis(2-methylfuran)","CC1=CC=C(O1)C(C2=CC=CO2)C3=CC=C(O3)C","C15H14O3","Cyclic Ethers","Aromatics","Kessler (2017)","IQT","25.5","0.15","0.023094734","0.749182856","1.088925266","1.042714112","-0.001403555","0","0.542642051","0.012027686","0","273.5990053","-0.006133895","-0.047720875","1.242951172","0.4342"
+"UMLCN0002","L","2-butylfuran","CCCCC1=CC=CO1","C8H12O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","13.1","0.333333333","0.051563982","1.058325703","1.08079502","1.0323547","0.00193542","0","0.595785432","0.032992149","3.553287037","213.0899345","-0.013876778","0.04064381","0.5121375","-0.4554"
+"UMLCN0003","L","tetrahydropyran","C1CCOCC1","C5H10O","Cyclic Ethers","","Marquardt (2015)","IQT","38.2","0","0.072168784","1.324694594","1.552120506","1.526247757","0.002241625","0","0.375403618","0","5.930555556","245.7792124","-0.066109633","0.035866","1.375","-0.9949"
+"UMLCN0004","L","2,5-dimethylfuran","CC1=CC=C(O1)C","C6H8O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","10.9","0","0.043883219","0.694659989","0.865161225","0.982735077","0.00130752","0","0.598832295","0","0","148.7752988","0.051511859","0.0196128","1.567318334","0.7669"
+"UMLCN0005","L","2,5-dihydrofuran","C1C=CCO1","C4H6O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","15.6","0","0","1.273363011","1.587483485","1.728558568","1.20E-04","0","0.632099312","0","1.638888889","181.6487116","-0.055854795","0.001320727","1.272727273","0.3369"
+"UMLCN0006","L","tris(5-methylfuran-2-yl)methane","CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC=C(O3)C","C16H16O3","Cyclic Ethers","Aromatics","Kessler (2017)","IQT","22.3","0.142857143","0.023653295","0.687395433","1.029799064","0.990306877","-5.44E-04","0","0.50280781","0.012187136","0","289.825814","0.0404777","-0.020125061","1.901955001","0.9479"
+"UMLCN0007","L","2-butyltetrahydrofuran","CCCCC1CCCO1","C8H16O","Cyclic Ethers","","Marquardt (2015)","IQT","45.5","0.333333333","0.083437163","1.271257744","1.483546111","1.437269713","0.002260557","0","0.348734006","0.059692737","7.531536281","292.5682117","-0.041301136","0.05651392","0.864385619","-1.5816"
+"UMLCN0008","L","tris(5-methyltetrahydrofuran-2-yl)methane","CC(CC1)OC1C(C2CCC(C)O2)C3CCC(C)O3","C16H28O3","Cyclic Ethers","","Kessler (2017)","IQT","59.8","0.142857143","0.046983972","1.086386881","1.371483195","1.340923587","0.001924889","0","0.329152474","0.027393797","7.083419785","422.8610873","-0.028514487","0.09431958","2.076339894","-2.6449"
+"UMLCN0009","L","5,5'-((tetrahydrofuran-2-yl)methylene)bis(2-methyltetrahydrofuran)","CC(CC1)OC1C(C2CCC(C)O2)C3CCCO3","C15H26O3","Cyclic Ethers","","Kessler (2017)","IQT","60.4","0.15","0.046823936","1.118207621","1.398171129","1.365483934","0.001759483","0","0.350224835","0.027916915","8.052346466","403.9460407","-0.066781907","0.080936198","1.49487358","-2.6342"
+"UMLCN0010","L","furfuryl alcohol","C1=COC(=C1)CO","C5H6O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","10.3","0.142857143","0.02687529","1.025728882","1.071100847","1.191509867","-0.020341349","0","0.818007335","0.0124226","-0.006944444","195.8050308","-0.086918529","-0.264437538","0.153846154","-0.635"
+"UMLCN0011","L","3,4-dihydro-2H-pyran","C1CC=COC1","C5H8O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","23.9","0","0.048112522","1.234922033","1.358830192","1.379366594","0.00150098","0","0.671504695","0","3.298611111","234.416129","-0.047153135","0.021013714","0.428571429","-0.2281"
+"UMLCN0012","L","eucalyptol","CC1(C2CCC(O1)(CC2)C)C","C10H18O","Cyclic Ethers","","Marquardt (2015)","IQT","18.8","0","0.051460037","0.892329825","1.125649192","1.138033029","0.002083129","0","0.362488544","0.037895625","5.314675926","297.9505862","0.083666717","0.062493869","1.837386638","1.3109"
+"UMLCN0013","L","2-methyltetrahydrofuran","CC1CCCO1","C5H10O","Cyclic Ethers","","NREL (2014)","IQT","21.3","0","0.083333333","1.172310048","1.442604439","1.449910164","0.002241625","0","0.449698735","0","3.516203704","220.6304687","-0.022763373","0.035866","0.672180469","-0.7176"
+"UMLCN0014","L","2,3-dihydrofuran","C1COC=C1","C4H6O","Cyclic Ethers","Olefins","Marquardt (2015)","IQT","20","0","0","1.203861086","1.388522782","1.428001041","1.20E-04","0","0.737213794","0","1.986111111","178.6732471","-0.049822786","0.001320727","0.363636364","-0.4837"
+"UMLCN0015","L","2-ethylfuran","CCC1=CC=CO1","C6H8O","Cyclic Ethers","Aromatics","Marquardt (2015)","IQT","10.2","0.142857143","0.042927365","0.940495494","1.075125406","1.080260875","0.00130752","0","0.686630113","0.027777778","0.993055556","171.1708702","-0.006689496","0.0196128","0.450325833","-0.423"
+"UMLCN0016","L","tetrahydrofuran","C1CCOC1","C4H8O","Cyclic Ethers","","Marquardt (2015)","IQT","21.9","0","0","1.296573014","1.533771392","1.537371059","0.001740781","0","0.41794859","0","4.555555556","231.3772108","-0.061106998","0.022630154","1.538461538","-0.7069"
+"UMLCN0017","L","7-butyltridecane","CCCCCCC(CCCC)CCCCCC","C17H36 ","Alkanes","","NREL (2014)","Unknown","36","0.8125","0.116685837","1.412789953","1.38304276","1.412789953","-2.10E-04","0.112735224","0.212800336","0.080140327","18.85389682","526.85484","-0.030876631","-0.010941949","2.75057794","-2.2654"
+"UMLCN0018","L","rose oxide","CC1CCOC(C1)C=C(C)C","C10H18O","Cyclic Ethers","Olefins","NREL (2014)","IQT","30","0.090909091","0.053797964","1.098813368","1.495069898","1.456252161","0.002012499","0","0.478377963","0.041928927","3.368943689","291.191646","-0.035836228","0.058362483","0.974643535","1.4643"
+"UMLCN0019","L","2-ethyltetrahydrofuran","CCC1CCCO1","C6H12O","Cyclic Ethers","","Marquardt (2015)","IQT","28.1","0.142857143","0.086380508","1.213601536","1.471393212","1.443943818","0.002364321","0","0.408077452","0.058925565","4.757453704","246.0095468","-0.035608847","0.044922105","0.671309869","-1.0056"
+"UMLCN0020","L","2,7-dimethyl-4,5-diethyloctane","CCC(CC(C)C)C(CC)CC(C)C","C14H30","Alkanes","","NREL (2014)","Unknown","39","0.538461538","0.115696209","1.233446712","1.122961314","1.233446712","-2.56E-04","0","0.256014406","0.0758903","5.565740741","418.3998294","-0.00529924","-0.011025","2.4322625","0.185"
+"UMLCN0021","L","2-methylfuran","CC1=CC=CO1","C5H6O","Cyclic Ethers","Aromatics","NREL (2014)","IQT","9","0","0.03928371","0.851944842","1.063598847","1.135140606","1.01E-04","0","0.732452455","0","0","124.0346267","0.005446471","0.001210667","0.396240625","0.2532"
+"UMLCN0022","L","bisabolene","CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1","C15H24","Cycloalkenes","Olefins","NREL (2014)","IQT","32.2","0.2","0.054768193","1.029166667","1.374538612","1.029166667","8.43E-17","5.38E-55","0.388215808","0.039088755","6.220792076","355.2665471","-0.015645292","3.29E-15","1.051783334","3.953"
+"UMLCN0023","L","limonene","CC1=CCC(CC1)C(=C)C","C10H16","Cycloalkenes","Olefins","Marquardt (2015)","IQT","18.9","0.1","0.061073033","1.057942708","1.149036531","1.057942708","8.47E-17","0","0.518370724","0.045235637","3.815833333","271.4640722","-0.009732953","2.20E-15","0.904222116","2.1424"
+"UMLCN0024","L","beta-pinene","CC1(C2CCC(=C)C1C2)C","C10H16","Olefins","Cyclic","NREL (2014)","IQT","21.3","0","0.056168539","1.015625","0.869884799","1.015625","3.33E-04","0","0.514751054","0.039649188","4.145763889","267.2922008","0.003546735","0.008981207","0.981145192","1.3695"
+"UMLCN0025","L","alpha-pinene","CC1=CCC2CC1C2(C)C","C10H16","Cycloalkenes","","NREL (2014)","IQT","23.1","0","0.052655156","0.9765625","1.00759","0.9765625","3.33E-04","0","0.50411056","0.038393429","2.810185185","281.2308256","0.001990696","0.008981207","1.010179327","1.5162"
+"UMLCN0026","L","beta-citronellol","CC(CCC=C(C)C)CCO","C10H20O","Alcohols","Olefins","Marquardt (2015)","IQT","25.6","0.5","0.07613477","1.164575763","0.862229691","0.896223605","-0.002704082","0","0.485228507","0.060575377","3.626815476","283.7614766","-0.032769381","-0.081122456","0.976279436","1.4641"
+"UMLCN0027","L","Linolenyl alcohol ","CC/C=C\C/C=C\C/C=C\CCCCCCCCO","C18H32O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","41","0.722222222","0.083202135","1.35864167","0.984265926","0.966508237","-0.001489468","2.029587491","0.424025708","0.054489811","12.20722563","544.2324207","-0.07556199","-0.074473384","0.877546814","-0.6296"
+"UMLCN0028","L","3-methoxy-3-methyl-1-butanol","CC(C)(CCO)OC","C6H14O2","Alcohols","Ethers","Marquardt (2015)","IQT","10","0.428571429","0.045643546","1.007920416","1.140339202","1.293034808","-0.00533359","0","0.489277389","0","0.893194444","213.0320278","-0.026126743","-0.112005388","1.193848296","-0.1944"
+"UMLCN0029","L","3,7-dimethyl-1-octanol","CC(C)CCCC(C)CCO","C10H22O","Alcohols","","Marquardt (2015)","IQT","29.3","0.6","0.100583086","1.24953276","0.810249228","0.878921725","-0.002413818","0","0.357260988","0.084489673","5.244327759","326.3160836","-0.029101697","-0.077242174","1.159535227","0.1928"
+"UMLCN0030","L","methanol","CO","CH4O","Alcohols","","NREL (2014)","Unknown","5","0","0","1.218021973","1.080870425","1.344438164","-0.037277956","0","0.693426404","0","0","152.7156905","-0.047677616","-0.186389778","2.584962501","-0.358"
+"UMLCN0031","L","tetrahydrofurfuryl alcohol","C1CC(OC1)CO","C5H10O2","Cyclic Ethers","Alcohols","Marquardt (2015)","IQT","17.9","0.142857143","0.054917163","1.192108909","1.151434506","1.234691371","-0.009959723","0","0.531863706","0.026352314","3.187453704","248.591216","-0.115268896","-0.169315294","0.470588235","-1.2176"
+"UMLCN0032","L","isobutanol","CC(C)CO","C4H10O","Alcohols","","NREL (2014)","IQT","8.5","0.25","0","1.126188845","0.809893925","0.910272661","-0.007382154","0","0.479051618","0","0.305555556","177.2871584","-0.029376669","-0.103350151","1.821570413","0.1242"
+"UMLCN0033","L","2-nonanol","CCCCCCCC(C)O","C9H20O","Alcohols","","NREL (2014)","IQT","39.6","0.666666667","0.122545212","1.27233055","0.750164616","0.822042597","-0.002735674","1.09E-195","0.332772314","0.086218601","7.442290722","315.5990802","0.002033939","-0.07933456","1.659147917","-2.1361"
+"UMLCN0034","L","2-butanol","CCC(C)O","C4H10O","Alcohols","","NREL (2014)","IQT","8.5","0.25","0","1.074663198","0.70655142","0.834614455","-0.007382154","0","0.479051618","0","0.861111111","179.7161658","0.014042513","-0.103350151","1.28823708","-0.6961"
+"UMLCN0035","L","oleyl alcohol","CCCCCCCC/C=C\CCCCCCCCO","C18H36O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","51","0.833333333","0.107258889","1.404052721","0.937526731","0.945832386","-0.001303719","2.115051363","0.322321874","0.072612131","18.8105345","540.2980913","-0.065309131","-0.070400812","1.76838409","-2.8744"
+"UMLCN0036","L","pentan-1-ol","CCCCCO","C5H12O","Alcohols","","NREL (2014)","CFR","18.2","0.6","0.111803399","1.299983183","0.820073639","0.907205263","-0.005596552","0","0.429664199","0","3.681944444","189.3246533","-0.032020189","-0.095141383","1.42508247","-1.2614"
+"UMLCN0037","L","nonan-1-ol","CCCCCCCCCO","C9H20O","Alcohols","","NREL (2014)","CFR","45","0.777777778","0.126166727","1.371051051","0.843732934","0.897585342","-0.002735674","1.38E-149","0.318223321","0.089419599","9.301161344","309.2034766","-0.040393046","-0.07933456","1.759029998","-2.4134"
+"UMLCN0038","L","palmitoleyl alcohol","CCCCCC/C=C\CCCCCCCCO","C16H32O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","46","0.8125","0.104302037","1.393566234","0.924092872","0.937420804","-0.001501451","1.739121184","0.345375772","0.069132967","15.8821133","521.9805772","-0.061068294","-0.072069634","1.503091519","-2.2984"
+"UMLCN0039","L","1-heptanol","CCCCCCCO","C7H16O","Alcohols","","NREL (2014)","IQT","29","0.714285714","0.126944546","1.343124862","0.828787797","0.896314829","-0.0037029","0","0.361926811","0.09045085","6.441014739","254.463679","-0.036151223","-0.085166694","1.635880205","-1.8374"
+"UMLCN0040","L","1-decanol","CCCCCCCCCCO","C10H22O","Alcohols","","NREL (2014)","CFR","50","0.8","0.125972273","1.381605101","0.852056898","0.900374991","-0.002413818","1.77E-15","0.301723115","0.089213348","10.75116134","346.8124558","-0.042514463","-0.077242174","1.917003786","-2.7014"
+"UMLCN0041","L","cyclohexanol","C1CCC(CC1)O","C6H12O","Alcohols","Cyclic","Marquardt (2015)","IQT","16.3","0","0.092683985","1.221191063","0.683690324","0.760540089","-0.004995258","0","0.38467346","0.045643546","5.888287037","209.5758995","-0.0030662","-0.094909895","1.447882895","-1.9507"
+"UMLCN0042","L","hexan-1-ol","CCCCCCO","C6H14O","Alcohols","","NREL (2014)","CFR","23.3","0.666666667","0.127916818","1.324129084","0.823117783","0.899444286","-0.004470131","0","0.391733219","0.079056942","5.043055556","224.4094774","-0.034042755","-0.089402612","1.602451641","-1.5494"
+"UMLCN0043","L","tetradecan-1-ol","CCCCCCCCCCCCCCO","C14H30O","Alcohols","","NREL (2014)","CFR","80.8","0.857142857","0.125583364","1.410833782","0.886575136","0.917817567","-0.001630375","6.345403169","0.255863405","0.088846681","16.6200208","471.3361565","-0.051000137","-0.071736506","2.594908887","-3.8534"
+"UMLCN0044","L","linoleyl alcohol","CCCCC/C=C\C/C=C\CCCCCCCCO","C18H34O","Alcohols","Olefins","NREL (2014)","Other Ignition Delay Method","44","0.777777778","0.091498842","1.380696085","0.960831397","0.954869844","-0.0013914","4.816510606","0.382663854","0.059925645","15.36488976","523.9623086","-0.071364841","-0.072352795","1.290686263","-1.4802"
+"UMLCN0045","L","2-ethyl-1-hexanol","CCCCC(CC)CO","C8H18O","Alcohols","","NREL (2014)","IQT","23.5","0.625","0.124390606","1.278166429","0.835703424","0.884820892","-0.00315048","0","0.380856417","0.104443645","5.200462963","284.1023149","-0.043459211","-0.081912483","1.198686221","-1.2606"
+"UMLCN0046","L","Isopentanol ","CC(C)CCO","C5H12O","Alcohols","","NREL (2014)","IQT","13.1","0.4","0","1.180958298","0.797523556","0.894935497","-0.005596552","0","0.46636733","0","1.261574074","203.0502798","-0.025577948","-0.095141383","1.42665","-0.1638"
+"UMLCN0047","L","1-propanol","CCCO","C3H8O","Alcohols","","NREL (2014)","Unknown","12","0.333333333","0","1.225386496","0.828733536","0.955075097","-0.010549545","0","0.54319642","0","1.194444444","132.5257054","-0.026567368","-0.116045","1.327067709","-0.6854"
+"UMLCN0048","L","1-butanol","CCCCO","C4H10O","Alcohols","","NREL (2014)","IQT","12","0.5","0","1.268349503","0.821897727","0.923104559","-0.007382154","0","0.479051618","0","2.381944444","162.0990796","-0.030158905","-0.103350151","1.301102071","-0.9734"
+"UMLCN0049","L","nerolidol","CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C","C15H26O","Alcohols","Olefins","Marquardt (2015)","IQT","19.2","0.466666667","0.059791922","1.001844974","0.774645422","0.775853131","-0.001910566","1.28E-08","0.495256925","0.043840959","3.888977781","344.9839916","0.045380348","-0.078333224","0.881417857","3.7014"
+"UMLCN0050","L","1-octanol","CCCCCCCCO","C8H18O","Alcohols","","NREL (2014)","CFR","39.1","0.75","0.126458409","1.35844346","0.835861369","0.896029915","-0.00315048","0","0.337939368","0.089763349","7.862889739","313.4064449","-0.038271673","-0.081912483","1.67633796","-2.1254"
+"UMLCN0051","L","octan-3-ol","CCCCCC(CC)O","C8H18O","Alcohols","","NREL (2014)","IQT","25","0.625","0.113821732","1.249070292","0.757820488","0.818731327","-0.00315048","0","0.352740002","0.089557956","5.590332577","285.6889583","-0.006177386","-0.081912483","1.300719092","-1.8481"
+"UMLCN0052","L","linalool","CC(=CCCC(C)(C=C)O)C","C10H18O","Alcohols","Olefins","NREL (2014)","IQT","16.5","0.4","0.058228907","0.94130295","0.717279868","0.768250394","-0.003057175","0","0.57335961","0.045954772","1.669675926","249.222627","0.052887413","-0.085600904","0.974643535","2.4692"
+"UMLCN0053","L","hexadecan-1-ol","CCCCCCCCCCCCCCCCO","C16H34O","Alcohols","","NREL (2014)","Other Ignition Delay Method","68","0.875","0.125486136","1.420638296","0.903506399","0.928215403","-0.001399566","9.351444019","0.240329186","0.088763348","19.57826733","559.8789675","-0.055242974","-0.069978313","2.896072291","-4.4294"
+"UMLCN0054","L","dodecan-1-ol","CCCCCCCCCCCCO","C12H26O","Alcohols","","NREL (2014)","CFR","63.6","0.833333333","0.125729205","1.398272015","0.869282379","0.908241356","-0.001948755","2.294410679","0.275626118","0.088977634","13.67511681","409.217445","-0.0467573","-0.074052686","2.26360705","-3.2774"
+"UMLCN0055","L","2-methyl-2-butanol","CCC(C)(C)O","C5H12O","Alcohols","","Marquardt (2015)","IQT","12.1","0.2","0","0.856628199","0.578277298","0.725708335","-0.005596552","0","0.429664199","0","0.826388889","196.5233429","0.064776939","-0.095141383","1.811361806","-0.1029"
+"UMLCN0056","L","undecan-1-ol","CCCCCCCCCCCO","C11H24O","Alcohols","","NREL (2014)","CFR","53","0.818181818","0.125833377","1.390567544","0.860619346","0.904012602","-0.002157431","0.381509267","0.287700552","0.089075848","12.20983903","360.7601782","-0.044635882","-0.075510086","2.089869261","-2.9894"
+"UMLCN0057","L","cyclopentanol","C1CCC(C1)O","C5H10O","Alcohols","Cyclic","Marquardt (2015)","IQT","9.8","0","0.064549722","1.18104026","0.664670599","0.753204304","-0.006497875","0","0.429229297","0","4.55787037","205.4932853","-8.10E-04","-0.103966","1.422180469","-1.6627"
+"UMLCN0058","L","geraniol","CC(=CCC/C(=C/CO)/C)C","C10H18O","Alcohols","Olefins","NREL (2014)","IQT","19.3","0.4","0.060457022","1.07442095","0.902068149","0.921457285","-0.003057175","0","0.493487276","0.047247666","2.316529195","268.9527697","-0.028159262","-0.085600904","1.043609052","2.3397"
+"UMLCN0059","L","ethanol","CCO","C2H6O","Alcohols","","NREL (2014)","IQT","11","0","0","1.164942368","0.843193013","1.025644043","-0.017277617","0","0.593062911","0","0.25","144.1575912","-0.015583991","-0.138220938","2.289390279","-0.1076"
+"UMLCN0060","L","octanal","CCCCCCCC=O","C8H16O","Aldehydes","","Marquardt (2015)","IQT","102.5","0.75","0.115691083","1.259314149","0.850398367","0.630214945","-1.61E-04","0","0.395218142","0.079611817","6.962381661","295.8125524","-0.044309699","-0.003873818","1.726450378","-1.5463"
+"UMLCN0061","L","hexanal","CCCCCC=O","C6H12O","Aldehydes","","Marquardt (2015)","IQT","75.2","0.666666667","0.101631566","1.19852615","0.822439424","0.622848033","-1.36E-04","0","0.469603457","0.058925565","4.20875","186.2913147","-0.040096519","-0.002447645","1.495072208","-0.9703"
+"UMLCN0062","L","pentanal","CCCCC=O","C5H10O","Aldehydes","","NREL (2014)","IQT","65.1","0.6","0.083333333","1.154950236","0.812116351","0.624806805","-1.04E-04","0","0.522979297","0","2.901527778","154.295298","-0.038197529","-0.00156025","1.22560253","-0.6823"
+"UMLCN0063","L","butanal","CCCC=O","C4H8O","Aldehydes","","Marquardt (2015)","IQT","41.1","0.5","0","1.096642491","0.808347309","0.635228641","-5.18E-05","0","0.591493778","0","1.684027778","123.220177","-0.036560125","-6.21E-04","1.242751303","-0.3943"
+"UMLCN0064","L","3-cyclohexene-1-carboxaldehyde","C1CC(CC=C1)C=O","C7H10O","Aldehydes","Cycloalkenes","Marquardt (2015)","IQT","28.1","0.125","0.059071813","1.139250741","0.853366414","0.601327914","3.18E-17","0","0.621544326","0.030982085","3.104074074","148.1848021","-0.057404146","5.72E-16","0.444444444","0.7043"
+"UMLCN0065","L","isobutyraldehyde","CC(C)C=O","C4H8O","Aldehydes","","Marquardt (2015)","IQT","21.1","0.25","0","0.939840713","0.803033599","0.621759034","-5.18E-05","0","0.549918677","0","0","146.5095151","-0.038830599","-6.21E-04","2.616305661","0.5419"
+"UMLCN0066","L","dibenzylether","C1=CC=C(C=C1)COCC2=CC=CC=C2","C14H14O","Aromatics","Ethers","Marquardt (2015)","IQT","8.1","0.25","0.032395715","1.17303147","1.630644807","1.743511103","0.001364243","2.17E-261","0.443230017","0.018476103","1.352647392","120.4185554","-0.115989688","0.040927277","1.379310345","2.2847"
+"UMLCN0067","L","benzaldehyde dimethyl acetal","COC(C1=CC=CC=C1)OC","C9H12O2","Aromatics","Acetals","Marquardt (2015)","IQT","10.4","0.272727273","0.03152855","1.122270638","1.61909645","1.636786863","1.10E-04","0","0.549501171","0.018013716","0","274.2174818","-0.066340995","0.002526609","1.022164131","1.2364"
+"UMLCN0068","L","2,6-dimethylnaphthalene","CC1=CC2=C(C=C1)C=C(C=C2)C","C12H12","Aromatics","","NREL (2014)","20% Blend, CFR","-7","0","0.030298349","0.821428571","0.901724437","0.821428571","2.37E-04","0","0.522630365","0.017760167","0","112.3789253","-0.001454244","0.005929","1.562907292","2.8406"
+"UMLCN0069","L","tert-butylbenzene","CC(C)(C)C1=CC=CC=C1","C10H14","Aromatics","","Creton (2011)","Unknown","-1","0.1","0.038334341","0.891836735","0.811893886","0.891836735","9.32E-17","0","0.486514398","0.02484271","0","213.9786207","0.004587263","2.24E-15","1.553508855","2.764"
+"UMLCN0070","L","4-methoxybenzaldehyde","COC1=CC=C(C=C1)C=O","C8H8O2","Aromatics","Ethers","Marquardt (2015)","IQT","25.8","0.2","0.025507171","0.959317829","1.201110641","1.20083605","-0.001636642","0","0.675393469","0.014336739","0","133.6877428","-0.076084777","-0.029459556","0.375271528","0.5168"
+"UMLCN0071","L","n-hexylbenzene","CCCCCCC1=CC=CC=C1","C12H18","Aromatics","","NREL (2014)","Unknown","26","0.416666667","0.055912268","1.230709877","1.197384661","1.230709877","9.06E-17","4.49E-176","0.461131948","0.040249237","6.686221104","263.0772961","-0.025877041","2.72E-15","0.853654682","0.1695"
+"UMLCN0072","L","1-methylnaphthalene","CC1=CC=CC2=CC=CC=C12","C11H10","Aromatics","","NREL (2014)","CFR","0","0","0.029372622","0.901515152","1.006141706","0.901515152","2.44E-04","0","0.500666494","0.017572719","0","102.0623932","-0.015706404","0.005377778","0.416899405","2.3942"
+"UMLCN0073","L","2-phenylundec-2-ene","CC(=CCCCCCCCC)C1=CC=CC=C1","C17H26","Aromatics","Olefins","Creton (2011)","Unknown","23","0.470588235","0.056750505","1.204838148","1.194668148","1.204838148","5.10E-17","0.079850892","0.446843128","0.039492707","9.522973181","392.6505179","-0.027840829","2.19E-15","0.956265476","0.7009"
+"UMLCN0074","L","2-octylnaphthalene","CCCCCCCCC1=CC2=CC=CC=C2C=C1","C18H24","Aromatics","","NREL (2014)","Unknown","18","0.368421053","0.041593499","1.149839744","1.137330315","1.149839744","1.80E-04","1.178288817","0.442330006","0.026517846","9.50211445","301.6568392","-0.028176002","0.007744","0.913441142","0.1379"
+"UMLCN0075","L","1,3-xylene","CC1=CC(=CC=C1)C","C8H10","Aromatics","","NREL (2014)","IQT","7","0","0.035911676","0.8925","0.998047666","0.8925","8.46E-17","0","0.526906293","0.031844727","0","154.1330806","-0.003264416","1.52E-15","1.1949875","2.2962"
+"UMLCN0076","L","2-methyl-2-phenylheptadecane","CCCCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C24H42","Aromatics","","NREL (2014)","Unknown","39","0.625","0.074892424","1.266652494","1.190832873","1.266652494","-3.13E-16","7.888481198","0.313095271","0.054713124","20.00581523","589.4898527","-0.029922501","-2.06E-14","2.37981443","-1.5083"
+"UMLCN0077","L","4-isopropyltoluene","CC1=CC=C(C=C1)C(C)C","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","4","0.1","0.03794515","0.93877551","0.913373931","0.93877551","9.28E-17","0","0.516360267","0.032599314","0","223.2590491","2.96E-04","2.23E-15","1.312907292","2.2271"
+"UMLCN0078","L","2-tert-butylnaphthalene","CC(C)(C)C1=CC2=CC=CC=C2C=C1","C14H16","Aromatics","","NREL (2014)","Unknown","3","0.066666667","0.02926215","0.827132937","0.770607397","0.827132937","2.18E-04","0","0.493316728","0.017534453","0","208.5372186","0.00679916","0.006745884","1.401303334","3.3084"
+"UMLCN0079","L","n-heptylbenzene","CCCCCCCC1=CC=CC=C1","C13H20","Aromatics","","NREL (2014)","Unknown","35","0.461538462","0.059976253","1.252307692","1.214179091","1.252307692","8.16E-17","4.59E-98","0.438727198","0.045154439","8.139644983","307.7875919","-0.027986273","2.69E-15","0.920137211","-0.1185"
+"UMLCN0080","L","n-octyltetralin","CCCCCCCCC1CCCC2=CC=CC=C12","C18H28","Aromatics","Cyclic","NREL (2014)","Unknown","18","0.368421053","0.056770823","1.232142857","1.201887723","1.232142857","1.87E-04","9.74E-15","0.383792299","0.038262712","14.09663161","429.4521815","-0.028435087","0.008787025","1.040745717","-0.685"
+"UMLCN0081","L","1,2-diphenylethane","C1=CC=C(C=C1)CCC2=CC=CC=C2","C14H14","Aromatics","","NREL (2014)","CFR","1","0.2","0.038136373","1.125","1.108183582","1.125","2.04E-04","3.12E-275","0.417272647","0.024525404","2.25962963","154.1986286","-0.030557584","0.005929","1.428571429","2.5404"
+"UMLCN0082","L","3-ethyl-3-(beta-naphthyl)nonane","C(CCCCCC)(CC)(CC)C2=CC1=CC=CC=C1C=C2","C21H30","Aromatics","","NREL (2014)","Unknown","13","0.363636364","0.040358621","1.07514881","1.055860174","1.07514881","1.58E-04","9.01E-321","0.413221683","0.023737035","9.260815728","406.9824963","-0.022547697","0.008206228","1.134790255","0.9579"
+"UMLCN0083","L","sec-butylbenzene","CCC(C)C1=CC=CC=C1","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","6","0.2","0.041597244","1.079591837","1.049672908","1.079591837","9.32E-17","0","0.511549931","0.028139426","1.226203704","219.9774592","-0.015137878","2.24E-15","0.646240625","1.1045"
+"UMLCN0084","L","2-methyl-2-(beta-naphthyl)hexane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C17H22","Aromatics","","NREL (2014)","Unknown","10","0.222222222","0.0373886","0.963123886","0.914395489","0.963123886","1.89E-04","1.70E-114","0.469190615","0.01887381","3.845911045","258.2659796","-0.004488065","0.007546709","1.003061935","2.2041"
+"UMLCN0085","L","2-methyl-2-(beta-naphthyl)decane","C(CCCCCCCC)(C2=CC1=CC=CC=C1C=C2)(C)C","C21H30","Aromatics","","NREL (2014)","Unknown","18","0.363636364","0.042019363","1.07514881","1.01827539","1.07514881","1.58E-04","3.708388389","0.413221683","0.025676177","9.572630138","385.2210113","-0.01288857","0.008206228","1.257626774","1.0521"
+"UMLCN0086","L","1,3-diethylbenzene","CCC1=CC(=CC=C1)CC","C10H14","Aromatics","","NREL (2014)","Blend (Percentage? Method?)","5","0.2","0.043813806","1.032653061","1.023219236","1.032653061","9.31E-17","0","0.498184909","0.031087523","2.293333333","233.3193123","-0.008460761","2.23E-15","1.229573959","1.626"
+"UMLCN0087","L","1-butylnaphthalene","CCCCC1=CC=CC2=CC=CC=C21","C14H16","Aromatics","","NREL (2014)","Unknown","6","0.2","0.034234267","1.042906746","1.084339636","1.042906746","2.18E-04","0","0.512031143","0.02132963","3.759010062","204.7006795","-0.0248292","0.006745884","0.425162917","1.2899"
+"UMLCN0088","L","decalin","C1CCC2CCCCC2C1","C10H18","Cycloalkanes ","","Heyne (2009)","IQT","37.4","0","0.089096022","1.33","1.317299795","1.33","3.38E-04","0","0.249225913","0.063339971","12.35648148","331.7914541","-0.012645419","0.009801","2.625349107","-0.7418"
+"UMLCN0089","L","tert-butyltetralin","CC(C)(C)C1CCCC2=CC=CC=C12","C14H20","Aromatics","Cyclic","NREL (2014)","Unknown","17","0.066666667","0.046529689","0.971428571","0.917023245","0.971428571","2.34E-04","0","0.486888072","0.028399821","4.002199074","267.8711701","-0.001837842","0.008206228","1.214241545","2.4675"
+"UMLCN0090","L","2-phenylundecane","CCCCCCCCCC(C)C1=CC=CC=C1","C17H28","Aromatics","","NREL (2014)","Unknown","51","0.529411765","0.066552172","1.262755102","1.201904218","1.262755102","7.27E-17","1.536940729","0.379844195","0.048917603","11.22830432","400.9934754","-0.030128294","3.27E-15","1.313764788","-0.3679"
+"UMLCN0091","L","7-phenyltridecane","CCCCCCC(CCCCCC)C1=CC=CC=C1","C19H32","Aromatics","","NREL (2014)","Unknown","41","0.578947368","0.06507169","1.28880551","1.242097189","1.28880551","2.68E-17","3.38E-19","0.354218466","0.044764798","13.88087039","462.3484854","-0.038022803","1.37E-15","1.779001097","-0.7885"
+"UMLCN0092","L","n-butylbenzene","CCCCC1=CC=CC=C1","C10H14","Aromatics","","NREL (2014)","IQT","12","0.3","0.049229845","1.173469388","1.158972095","1.173469388","9.32E-17","0","0.511549931","0.035851124","3.829610733","215.2363377","-0.021760538","2.24E-15","0.614786979","0.7455"
+"UMLCN0093","L","4-phenyldodecane","CCCCCCCCC(CCC)C1=CC=CC=C1","C18H30","Aromatics","","NREL (2014)","Unknown","42","0.555555556","0.065720433","1.27654321","1.231124089","1.27654321","4.31E-17","1.809942398","0.366434829","0.046498155","12.48211848","431.0243522","-0.036056324","2.07E-15","1.213847136","-0.5005"
+"UMLCN0094","L","alpha-methyl-trans-cinnamaldehyde","C/C(=C\C1=CC=CC=C1)/C=O","C10H10O","Aromatics","Aldehydes","Marquardt (2015)","IQT","19.1","0.181818182","0.031451249","0.954873831","0.875127881","0.677721628","2.33E-17","0","0.567251471","0.017942308","0","114.0576648","-0.052665835","4.90E-16","0.5121375","1.9296"
+"UMLCN0095","L","5-methyl-5-(beta-naphthyl)nonane","C(CCCC)(C2=CC1=CC=CC=C1C=C2)(C)CCCC","C20H28","Aromatics","","NREL (2014)","Unknown","12","0.333333333","0.04316546","1.051904762","1.017671464","1.051904762","1.65E-04","3.29E-180","0.426263317","0.023068277","7.84162226","364.329551","-0.016008243","0.008070028","1.416128509","1.0998"
+"UMLCN0096","L","1-butyltetralin","CCCCC1CCCC2=CC=CC=C12","C14H20","Aromatics","Cyclic","Creton (2011)","Unknown","18","0.2","0.050883985","1.153571429","1.122195849","1.153571429","2.34E-04","0","0.458821655","0.033693755","8.228558673","300.9606819","-0.020024694","0.008206228","0.75322472","0.467"
+"UMLCN0097","L","n-nonylbenzene","CCCCCCCCCC1=CC=CC=C1","C15H24","Aromatics","","NREL (2014)","Unknown","50","0.533333333","0.066820858","1.286458333","1.243052367","1.286458333","8.46E-17","1.71646282","0.400470691","0.051330711","11.07278327","368.1436408","-0.032208686","3.30E-15","1.124982128","-0.6945"
+"UMLCN0098","L","1,2,4-trimethylbenzene ","CC1=CC(=C(C=C1)C)C","C9H12","Aromatics","","NREL (2014)","IQT","8.9","0","0.0401951","0.810185185","0.914416065","0.810185185","8.88E-17","0","0.484501705","0.026572033","0","188.6945595","0.00499964","1.86E-15","1.155460119","2.7426"
+"UMLCN0099","L","2-phenyltetradecane","CCCCCCCCCCCCC(C)C1=CC=CC=C1","C20H34","Aromatics","","NREL (2014)","Unknown","49","0.6","0.073296152","1.299783737","1.239707186","1.299783737","-1.07E-16","5.563831775","0.343056059","0.05455628","15.66566364","475.8915968","-0.036462123","-5.77E-15","1.815407868","-1.2319"
+"UMLCN0100","L","tetralin","C1CCC2=CC=CC=C2C1","C10H12","Aromatics","Cyclic","NREL (2014)","IQT","8.9","0","0.04738787","1.1","1.070764968","1.1","3.07E-04","0","0.531126549","0.029826297","5.37537037","203.0502962","-0.013973144","0.007056","1.363636364","0.561"
+"UMLCN0101","L","cyclohexene","C1CCC=CC1","C6H10","Cycloalkenes","","Marquardt (2015)","IQT","18.1","0","0.083333333","1.333333333","1.311020534","1.333333333","8.60E-17","0","0.5","0","5.465277778","206.4263629","-0.01831324","1.38E-15","1.5","0.403"
+"UMLCN0102","L","isopropylbenzene","CC(C)C1=CC=CC=C1","C9H12","Aromatics","","Creton (2011)","Unknown","15","0.111111111","0.039901862","1.026234568","0.990588833","1.026234568","8.94E-17","0","0.513536271","0.027556183","0","201.3154825","-0.009797429","1.88E-15","1.024275","1.7807"
+"UMLCN0103","L","2-phenyloctane","CCCCCCC(C)C1=CC=CC=C1","C14H22","Aromatics","","NREL (2014)","Unknown","33","0.428571429","0.057784997","1.208677686","1.151473262","1.208677686","6.08E-17","7.07E-36","0.428769976","0.040575563","6.836126464","316.9583917","-0.023794714","2.19E-15","0.975539319","0.4961"
+"UMLCN0104","L","1,4-dioctyltetralin","C1=C2C(=CC=C1)C(CCC2CCCCCCCC)CCCCCCCC","C26H44","Aromatics","Cyclic","Creton (2011)","Unknown","26","0.518518519","0.059536979","1.284965035","1.255697561","1.284965035","1.32E-04","3.10737814","0.30339761","0.039352834","22.82012438","660.9342838","-0.04282466","0.00937024","2.139265799","-1.931"
+"UMLCN0105","L","1,2-dimethylbenzene","CC1=CC=CC=C1C","C8H10","Aromatics","","NREL (2014)","CFR","8","0","0.037400282","0.8925","1.007673912","0.8925","8.46E-17","0","0.526906293","0.027777778","0","139.4332086","-0.00465623","1.52E-15","1.528320834","2.2962"
+"UMLCN0106","L","gamma-terpinene","CC1=CCC(=CC1)C(C)C","C10H16","Olefins","Cyclic","Marquardt (2015)","IQT","20.3","0.1","0.050645944","1.015625","1.19361864","1.015625","8.43E-17","0","0.482020892","0.043210236","2.358148148","285.5718521","-0.005451503","2.19E-15","1.2888375","2.4017"
+"UMLCN0107","L","2-methyl-2-phenylpentadecane","CCCCCCCCCCCCCC(C)(C)C1=CC=CC=C1","C22H38","Aromatics","","Creton (2011)","Unknown","39","0.590909091","0.071551919","1.244333921","1.165808182","1.244333921","-2.19E-16","3.450083408","0.32999514","0.052019106","17.03478566","529.642349","-0.025699949","-1.31E-14","2.102316091","-0.9323"
+"UMLCN0108","L","1,2-dimethoxybenzene","COC1=CC=CC=C1OC","C8H10O2","Aromatics","Ethers","Marquardt (2015)","IQT","13.4","0.2","0.029305784","0.979217582","1.686458454","1.617373568","-0.00125304","0","0.566052764","0.016250694","0","215.0562688","-0.157320238","-0.0250608","1.47548875","0.4062"
+"UMLCN0109","L","diphenylmethane","C1=CC=C(C=C1)CC2=CC=CC=C2","C13H12","Aromatics","","NREL (2014)","Unknown","11","0.142857143","0.03393869","1.098901099","1.142351361","1.098901099","2.10E-04","0","0.393275252","0.020249576","1.029444444","120.0576322","-0.033955761","0.005464166","1.28","2.8718"
+"UMLCN0110","L","n-dodecylbenzene","CCCCCCCCCCCCC1=CC=CC=C1","C18H30","Aromatics","","NREL (2014)","Unknown","68","0.611111111","0.074754377","1.322962963","1.277189634","1.322962963","4.31E-17","3.872819601","0.356400608","0.057870294","15.5091558","430.1363942","-0.038542515","2.07E-15","1.653834958","-1.5585"
+"UMLCN0111","L","n-tetradecylbenzene","CCCCCCCCCCCCCCC1=CC=CC=C1","C20H34","Aromatics","","NREL (2014)","Unknown","72","0.65","0.078941512","1.341046713","1.295423581","1.341046713","-1.07E-16","6.026443577","0.333512473","0.061082721","18.48022925","485.9710368","-0.042765068","-5.77E-15","1.997672277","-2.1345"
+"UMLCN0112","L","1,5-cyclooctadiene","C1/C=C\CC/C=C\C1","C8H12","Olefins","Cyclic","Marquardt (2015)","IQT","25.7","0","0.068742913","1.319444444","1.354400294","1.319444444","9.06E-17","0","0.444692288","0.043698116","4.930555556","183.5077246","-0.030793251","1.81E-15","2.4","1.958"
+"UMLCN0113","L","Dimethyl ether","COC","C2H6O","Ethers","","NREL (2014)","Unknown","67","0","0","1.318038097","2.112382804","2.153828047","2.01E-04","0","0.386253443","0","0","245.3835435","-0.10438872","0.001611062","2.779950001","0.0505"
+"UMLCN0114","L","isopropyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C","C21H40O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","86.6","0.772727273","0.091529762","1.22183851","0.950286641","0.698442321","9.33E-04","3.577856836","0.333495292","0.061596033","17.26265428","667.0244657","0.061644411","0.057854331","1.537997667","-2.1418"
+"UMLCN0115","L","1-methoxyhexane","CCCCCCOC","C7H16O","Ethers","","Marquardt (2015)","IQT","99.8","0.714285714","0.117002517","1.368722919","1.742399415","1.687931965","0.002376752","0","0.345687124","0.072168784","6.140629252","300.4523166","-0.093099871","0.054665306","1.213308978","-1.1409"
+"UMLCN0116","L","diisoamyl ether","CC(C)CCOCCC(C)C","C10H22O","Ethers","","NREL (2014)","IQT","96.2","0.6","0.075197411","1.244378275","1.591845022","1.554037428","0.001955932","4.45E-225","0.326540164","0.05394459","4.254924414","381.8380478","-0.065242326","0.062589826","2.273319697","0.4389"
+"UMLCN0117","L","2-ethylhexyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)CCCC","C26H50O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","88","0.814814815","0.085358962","1.279416447","1.037866881","0.746777448","8.16E-04","7.533971985","0.306102107","0.056149246","22.71562282","726.7748664","-0.001163732","0.06280522","1.634409531","-2.9943"
+"UMLCN0118","L","cyclopentyl methyl ether","COC1CCCC1","C6H12O","Ethers","Cyclic","Marquardt (2015)","IQT","47.3","0.142857143","0.071129449","1.248843117","1.552443196","1.507965587","0.002364321","0","0.367870693","0.058925565","5.323425926","297.2309406","-0.062189939","0.044922105","1.302888816","-1.2542"
+"UMLCN0119","L","2-ethylhexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C24H48O2","Esters","","NREL (2014)","Other Ignition Delay Method","98","0.84","0.092356047","1.282395032","1.016969403","0.734993661","8.59E-04","10.7641681","0.255015687","0.062442186","23.45822309","747.6247823","0.008902182","0.062741201","2.298165065","-4.5493"
+"UMLCN0120","L","methyl octanoate","CCCCCCCC(=O)OC","C9H18O2","Esters","","NREL (2014)","CFR","33.6","0.7","0.094065983","1.108777985","0.983795484","0.747096528","0.001030213","2.58E-56","0.384814032","0.062139964","6.488808264","319.8974007","0.027775175","0.028845964","1.184983723","-1.3427"
+"UMLCN0121","L","propyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCC","C21H40O2","Esters","Olefins","NREL (2014)","Blend","72","0.818181818","0.089679761","1.267209196","1.014975046","0.735835945","9.33E-04","3.640510764","0.327624079","0.062208015","18.81233868","671.2732162","0.015272788","0.057854331","1.399031198","-2.4191"
+"UMLCN0122","L","3-(3-methoxypropoxy)propan-1-ol","COCCCOCCCO","C7H16O3","Ethers","Alcohols","NREL (2014)","IQT","43.9","0.777777778","0.058114669","1.3442729","1.420537647","1.569776852","-0.00668688","0","0.422285155","0.038608837","4.00631724","351.8009122","-0.174082515","-0.167172","1.153846154","-1.1958"
+"UMLCN0123","L","diisopropyl ether","CC(C)OC(C)C","C6H14O","Ethers","","Marquardt (2015)","IQT","23.6","0.333333333","0","1.036907151","1.417805837","1.481550577","0.002521469","0","0.313704635","0","0","268.4813345","0.03446159","0.050429388","2.829136544","-0.0497"
+"UMLCN0124","L","methyl decanoate","CCCCCCCCCC(=O)OC","C11H22O2","Esters","","Marquardt (2015)","IQT","52.7","0.75","0.101799487","1.162417476","0.988850029","0.741512596","0.001140143","0.509079218","0.344052126","0.069639502","9.293436321","352.632698","0.023532601","0.038764878","1.367837228","-1.9187"
+"UMLCN0125","L","propyl stearate ","CCCCCCCCCCCCCCCCCC(=O)OCCC","C21H42O2","Esters","","NREL (2014)","Other Ignition Delay Method","80.5","0.863636364","0.103059191","1.287778614","1.000400396","0.729024074","9.35E-04","10.26667611","0.2528435","0.074514828","22.48617353","731.1847789","0.021095864","0.059862707","2.457788248","-4.5501"
+"UMLCN0126","L","2-butyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)CC","C22H44O2","Esters","","NREL (2014)","Other Ignition Delay Method","98","0.826086957","0.098871613","1.254084343","0.953169033","0.696490773","9.09E-04","10.22745238","0.253601245","0.071433953","21.84384134","700.13115","0.055152442","0.060910173","2.461262891","-4.5608"
+"UMLCN0127","L","isopropyl stearate","CCCCCCCCCCCCCCCCCC(=O)OC(C)C","C21H42O2","Esters","","NREL (2014)","Other Ignition Delay Method","97","0.818181818","0.105652495","1.243973757","0.93482169","0.692514695","9.35E-04","9.671644574","0.259592068","0.073902846","20.91763669","692.6389751","0.067467488","0.059862707","2.592478825","-4.2728"
+"UMLCN0128","L","stearic acid","CCCCCCCCCCCCCCCCCC(=O)O","C18H36O2","Acids","","NREL (2014)","Other Ignition Delay Method","62","0.842105263","0.116473185","1.261148065","0.582835975","0.375322382","-0.001523944","9.105437961","0.267775003","0.08192831","20.19919723","539.1654081","0.097328695","-0.083816898","2.818858957","-4.4737"
+"UMLCN0129","L","trimyristin","CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC","C45H86O6","Esters","","NREL (2014)","Other Ignition Delay Method","100","0.88","0.078614936","1.230573342","1.008404036","0.695034842","0.001115966","30.785549","0.233983002","0.051036201","41.38814082","1310.01767","0.039964194","0.151771327","3.439941786","-9.5462"
+"UMLCN0130","L","isobutyl oleate ","CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C","C22H42O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","60","0.782608696","0.084124197","1.244460771","1.014479713","0.733437905","9.08E-04","4.044791056","0.337125213","0.060178719","17.84836811","655.5949017","0.012286772","0.059032129","1.498391712","-1.6095"
+"UMLCN0131","L","butyl myristate","CCCCCCCCCCCCCC(=O)OCCCC","C18H36O2","Esters","","NREL (2014)","CFR","69.4","0.842105263","0.093559487","1.258263929","0.985178142","0.718847005","0.001018456","5.534977349","0.273633486","0.065249724","17.80829936","587.4408471","0.026273363","0.056015102","1.922633873","-3.6861"
+"UMLCN0132","L","hexyl acetate","CCCCCCOC(=O)C","C8H16O2","Esters","","NREL (2014)","IQT","32.2","0.666666667","0.080321616","1.047900149","0.885680509","0.715496191","8.80E-04","0","0.410857082","0.045029386","5.230029289","269.4708134","0.077943325","0.022008994","1.014020307","-1.1703"
+"UMLCN0133","L","trilaurin","CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC","C39H74O6","Esters","","NREL (2014)","Other Ignition Delay Method","100","0.863636364","0.073048728","1.198483694","0.997759697","0.690338839","0.001132677","24.88004173","0.252079916","0.046553943","32.92923702","1152.317238","0.052692705","0.133655899","3.041406528","-7.8182"
+"UMLCN0134","L","methyl hexanoate","CCCCCC(=O)OC","C7H14O2","Esters","","Marquardt (2015)","IQT","25.3","0.625","0.074807714","1.034548099","0.984943229","0.76310685","6.00E-04","0","0.441976334","0.051031036","3.805166289","246.9290844","0.031960938","0.013204083","1.059327303","-0.7667"
+"UMLCN0135","L","methyl valerate","CCCCC(=O)OC","C6H12O","Esters","","Marquardt (2015)","IQT","13.3","0.571428571","0.072168784","0.985479586","0.990808619","0.778666028","7.63E-05","0","0.479172848","0.072168784","2.55037037","203.5098277","0.033723533","0.00145024","0.77548875","-0.4787"
+"UMLCN0136","L","diisobutyl ether","CC(C)COCC(C)C","C8H18O","Ethers","","Marquardt (2015)","IQT","59.7","0.5","0.068041382","1.191623336","1.639021574","1.57908839","0.002227674","0","0.321877869","0.068041382","1.801944444","323.9565429","-0.073923824","0.057919517","2.408131482","1.0149"
+"UMLCN0137","L","tributyrin","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","C15H26O6","Esters","","NREL (2004)","Other Ignition Delay Method","7","0.7","0.031969107","0.923113066","0.983095442","0.734691082","-0.00183988","1.36E-129","0.414933591","0.018922373","2.756161302","349.2595601","0.09971962","-0.084634481","1.852311703","-0.9062"
+"UMLCN0138","L","2-butyl oleate","O(C(=O)CCCCCCCC=CCCCCCCCC)C(C)CC","C22H42O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","72","0.782608696","0.086161154","1.232911159","0.967484838","0.701804013","9.08E-04","1.559356949","0.32467741","0.059810852","18.18150693","706.9923802","0.049329365","0.059032129","1.450736454","-2.4298"
+"UMLCN0139","L","triethylene glycol monomethyl ether","COCCOCCOCCO","C7H16O4","Ethers","Alcohols","NREL (2014)","IQT","80.7","0.8","0.045205963","1.354795859","1.642098918","1.72775949","-0.011493115","2.03E-92","0.385676774","0.027247295","2.748341443","376.2014415","-0.382118309","-0.298820993","1.417209722","-0.7507"
+"UMLCN0140","L","1,6-dimethoxyhexane","COCCCCCCOC","C8H18O2","Ethers","","NREL (2014)","Blend (Method?)","88","0.777777778","0.094692343","1.378496954","1.791128307","1.770996122","0.002253248","0","0.338375027","0.06159991","6.675389739","362.2446461","-0.173118265","0.060837694","1.76820625","-1.2324"
+"UMLCN0141","L","1,2-dimethoxyethane","COCCOC","C4H10O2","Ethers","","NREL (2014)","IQT","81","0.6","0.083333333","1.347568637","2.001329096","1.996682702","-0.002108237","0","0.387198735","0","1.381944444","308.9107521","-0.218570635","-0.031623562","1.844360938","-0.0804"
+"UMLCN0142","L","ethyl tetradecanoate","CCCCCCCCCCCCCC(=O)OCC","C16H32O2","Esters","","NREL (2014)","CFR","67","0.823529412","0.105032841","1.233541609","0.962030744","0.713019746","0.001074288","4.845086751","0.291074255","0.073092858","15.60484599","506.6345434","0.040710299","0.052640102","1.920640497","-2.8203"
+"UMLCN0143","L","butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCCC","C20H40O2","Esters","","NREL (2014)","Blend (5%-7%)","89","0.857142857","0.097052877","1.278777235","0.996387187","0.72549281","9.62E-04","7.97027449","0.259182046","0.067971915","20.73771797","634.0336277","0.022030526","0.058709544","2.217177774","-4.2621"
+"UMLCN0144","L","n-butyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OCCCC","C22H44O2","Esters","","NREL (2014)","Other Ignition Delay Method","86","0.869565217","0.09984759","1.296074675","1.007425979","0.732656799","9.09E-04","9.565067692","0.24700142","0.070121013","23.68230186","702.2548175","0.017787689","0.060910173","2.491054531","-4.8381"
+"UMLCN0145","L","methyl linolenate","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC","C19H32O2","Esters","Olefins","NREL (2014)","IQT","37","0.7","0.076462009","1.218602227","1.086633122","0.787709735","9.59E-04","1.480102304","0.434759758","0.049985155","10.75148552","501.5033409","-0.009514682","0.049867335","0.858675","0.1531"
+"UMLCN0146","L","ethyl palmitate","CCCCCCCCCCCCCCCC(=O)OCC","C18H36O2","Esters","","NREL (2014)","Blend","80","0.842105263","0.107695129","1.258263929","0.973670992","0.718847005","0.001018456","7.559137134","0.273633486","0.075277928","18.53298806","586.1447846","0.036467462","0.056015102","2.246956249","-3.3963"
+"UMLCN0147","L","2-methoxyethanol","COCCO","C3H8O2","Ethers","Alcohols","NREL (2014)","IQT","15.5","0.5","0","1.306711429","1.431476469","1.59936622","-0.018619199","0","0.549918677","0","0.565972222","244.4429392","-0.15627493","-0.223430391","0.958102094","-0.4889"
+"UMLCN0148","L","methyl octadecanoate","CCCCCCCCCCCCCCCCCC(=O)OC","C19H38O2","Esters","","NREL (2014)","CFR","86","0.85","0.113399744","1.281733414","1.025696906","0.753932748","9.90E-04","8.741609361","0.25657594","0.079638886","20.93515407","655.3047543","0.006561253","0.057433868","2.694938112","-4.2227"
+"UMLCN0149","L","butyl butanoate","CCCCOC(=O)CCC","C8H16O2","Esters","","NREL (2014)","IQT","18","0.666666667","0.055172484","1.047900149","0.941838622","0.715496191","8.80E-04","0","0.421045266","0.041902312","4.096096466","267.9705475","0.046194028","0.022008994","0.981145192","-0.8061"
+"UMLCN0150","L","methyl dodecanoate","CCCCCCCCCCCC(=O)OC","C13H26O2","Esters","","NREL (2014)","IQT","66.5","0.785714286","0.10643959","1.203052997","0.996700399","0.741209991","0.001140207","1.772880894","0.313753027","0.073805912","12.16076241","414.4889393","0.019289764","0.045608281","1.715577962","-2.4947"
+"UMLCN0151","L","2,2-dimethoxypropane","CC(C)(OC)OC","C5H12O2","Ethers","","Marquardt (2015)","IQT","31.3","0.333333333","0","0.891586383","1.492845427","1.484783981","1.70E-04","0","0.392650579","0","0","239.2762383","0.089932272","0.00305569","2.171972501","0.019"
+"UMLCN0152","L","methyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC","C17H34O2","Esters","","NREL (2014)","IQT","85.9","0.833333333","0.111742564","1.260601251","1.015684604","0.748346062","0.001046688","7.897124548","0.271758317","0.078292815","17.992093","569.2399237","0.01080409","0.054427796","2.397635141","-3.6467"
+"UMLCN0153","L","methyl sorbate ","C/C=C/C=C/C(=O)OC","C7H10O2","Esters","Olefins","NREL (2014)","IQT","6","0.375","0.035050047","0.94335873","1.041537906","0.904016073","-7.44E-04","0","0.649802448","0.022680461","0","146.7540603","0.030644908","-0.013400909","0.605777632","1.2796"
+"UMLCN0154","L","ethyl decanoate","CCCCCCCCCC(=O)OCC","C12H24O2","Esters","","NREL (2014)","CFR","51","0.769230769","0.096158548","1.164898456","0.939849415","0.706102887","0.001147958","0.647940596","0.339636135","0.065445113","9.830473358","380.3327994","0.049195973","0.04247446","1.22708396","-1.6683"
+"UMLCN0155","L","methyl palmitoleate","CCCCCC/C=C\CCCCCCCC(=O)OC","C17H32O2","Esters","Olefins","NREL (2014)","IQT","56.6","0.777777778","0.093584765","1.236548666","1.035069434","0.759860268","0.001033648","2.220655894","0.362271162","0.061682493","14.37323392","542.4460735","0.004979013","0.051682411","1.345670402","-1.5157"
+"UMLCN0156","L","butyl valerate","CCCCC(=O)OCCCC","C9H18O2","Esters","","Marquardt (2015)","IQT","23.5","0.7","0.057008892","1.084297068","0.941889495","0.710265281","0.001030213","0","0.396239528","0.040738728","5.25597301","290.1435812","0.044949837","0.028845964","1.086543966","-1.0941"
+"UMLCN0157","L","acetal","CCOC(C)OCC","C6H14O2","Ethers","","Marquardt (2015)","IQT","54.1","0.571428571","0.048112522","1.134149734","1.445173943","1.454088926","0.001325077","0","0.367450407","0.048112522","1.446759259","313.4461811","0.055919498","0.027826612","1.557484659","0.8705"
+"UMLCN0158","L","vinyl laurate","CCCCCCCCCCCC(=O)OC=C","C14H26O2","Esters","Olefins","Marquardt (2015)","IQT","77","0.8","0.097778223","1.177555565","0.844425615","0.588248472","0.001087526","1.243809446","0.393642903","0.067214774","11.93218531","392.0127582","0.050598639","0.044588562","1.531873724","-2.4105"
+"UMLCN0159","L","1-butoxy-2-propanol","CCCCOCC(C)O","C7H16O2","Ethers","Alcohols","NREL (2014)","IQT","36.1","0.625","0.070397193","1.212461352","1.24416285","1.27919463","-0.003893047","0","0.443536955","0.048067815","3.493977702","261.5710415","-0.110418422","-0.093433126","0.9705865","-1.115"
+"UMLCN0160","L","diethylene glycol dimethyl ether","COCCOCCOC","C6H14O3","Ethers","","NREL (2014)","Blend","109","0.75","0.050296116","1.36247869","1.962332738","1.947853072","-0.003085492","0","0.345861234","0.033447893","2.618202948","361.2024146","-0.331480744","-0.067880832","1.717816305","-0.2113"
+"UMLCN0161","L","sec-butyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)CC","C20H40O2","Esters","","Creton (2011)","Unknown","84.8","0.80952381","0.095968459","1.232992371","0.940311019","0.688624803","9.62E-04","8.095454029","0.266077434","0.069314654","18.9016435","619.9025476","0.059395279","0.058709544","2.184503072","-3.9848"
+"UMLCN0162","L","butyl decanoate","CCCCCCCCCC(=O)OCCCC","C14H28O2","Esters","","NREL (2014)","CFR","55","0.8","0.083079316","1.203158035","0.962972881","0.70849547","0.001123032","0.861232092","0.312552218","0.056835679","12.02945416","430.8940661","0.034759036","0.04829038","1.324196875","-2.5341"
+"UMLCN0163","L","1,4-cyclohexanedimethanol divinyl ether","C=COCC1CCC(CC1)COC=C","C12H20O2","Ethers","Olefins","Marquardt (2015)","IQT","61.1","0.428571429","0.065722928","1.244725876","1.34370411","1.387369684","0.001985661","7.64E-105","0.49811604","0.037753083","6.659830404","340.9577216","-0.08778358","0.067512471","1.823529412","0.4982"
+"UMLCN0164","L","methyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OC","C19H36O2","Esters","Olefins","NREL (2014)","CFR","56","0.8","0.097511669","1.259804326","1.042156563","0.76320978","9.84E-04","2.804809314","0.338950147","0.065691165","17.27744933","563.7026948","7.38E-04","0.055108767","1.533054","-2.0917"
+"UMLCN0165","L","dodecyl vinyl ether","CCCCCCCCCCCCOC=C","C14H28O","Ethers","Olefins","Marquardt (2015)","IQT","101.7","0.857142857","0.111679661","1.380203558","1.356058614","1.345603245","0.001562216","2.086096117","0.339686368","0.077922901","14.60478441","468.251857","-0.055817796","0.065613067","1.799629721","-2.7847"
+"UMLCN0166","L","1-methoxy-2-propanol","CC(COC)O","C4H10O2","Ethers","Alcohols","Marquardt (2015)","IQT","16.3","0.4","0","1.15311575","1.343340944","1.445918431","-0.011430371","0","0.554229297","0","0.430555556","194.8312026","-0.125534258","-0.171455562","0.969360938","-0.4996"
+"UMLCN0167","L","propyl decanoate","CCCCCCCCCC(=O)OCCC","C13H26O2","Esters","","NREL (2014)","CFR","53","0.785714286","0.08710224","1.185193938","0.955928484","0.706959948","0.001140207","0.620051819","0.325267774","0.062182811","10.83636175","414.4954024","0.038067212","0.045608281","1.186077817","-2.2461"
+"UMLCN0168","L","propyl linolenate","CCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C21H36O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","27","0.727272727","0.071953731","1.228086188","1.053805835","0.753837395","9.20E-04","1.661627598","0.41658033","0.048349771","12.26949644","589.2614655","0.005019929","0.053380762","0.839148729","-0.1743"
+"UMLCN0169","L","methyl heptanoate","CCCCCCC(=O)OC","C8H16O2","Esters","","Marquardt (2015)","IQT","34.2","0.666666667","0.08787918","1.074926366","0.983216823","0.753263","8.80E-04","1.64E-248","0.410857082","0.052897042","5.125774046","264.6277048","0.029892074","0.022008994","1.119977518","-1.0547"
+"UMLCN0170","L","butyl linolenate","CCCCOC(=O)CCCCCCCC=CCC=CCC=CCC","C22H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","29","0.739130435","0.070297402","1.238679018","1.057185455","0.755003598","9.00E-04","4.751751189","0.405607812","0.046710173","13.45239937","616.4245918","0.001711753","0.054870281","0.830802823","-0.4623"
+"UMLCN0171","L","ethyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC","C20H40O2","Esters","","NREL (2014)","CFR","76.8","0.857142857","0.109730996","1.278777235","0.985258204","0.72549281","9.62E-04","8.372415153","0.259182046","0.076916731","21.47663555","661.1808989","0.032224625","0.058709544","2.544455421","-3.9723"
+"UMLCN0172","L","ethyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCC","C20H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","61","0.80952381","0.094777515","1.257314149","1.001048298","0.733056","9.59E-04","3.049461723","0.337141565","0.063840742","17.8101527","629.288432","0.026401548","0.056553329","1.435649425","-1.8413"
+"UMLCN0173","L","linolenic acid","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O","C18H30O2","Acids","Olefins","NREL (2014)","Other Ignition Delay Method","20","0.684210526","0.077072935","1.193715935","0.655548636","0.376200851","-0.001878701","1.435467363","0.456307894","0.050156454","10.09150298","371.7337449","0.081252759","-0.092056326","0.85509775","-0.0979"
+"UMLCN0174","L","butyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCC","C22H40O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","54","0.782608696","0.076105097","1.257165397","1.039160011","0.746184601","9.05E-04","5.885444418","0.369553467","0.050429427","16.58884982","601.321876","0.005908902","0.057023484","1.15625","-1.3129"
+"UMLCN0175","L","ethyl valerate","CCCCC(=O)OCC","C7H14O2","Esters","","Marquardt (2015)","IQT","18.6","0.625","0.066884347","1.004347089","0.925847425","0.724184541","6.00E-04","0","0.449231943","0.051031036","3.073943689","234.4725223","0.059386779","0.013204083","0.761294565","-0.2283"
+"UMLCN0176","L","propyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCCC","C19H38O2","Esters","","NREL (2014)","Other Ignition Delay Method","85","0.85","0.10047792","1.268976301","0.98920722","0.722089508","9.90E-04","8.432824843","0.266085069","0.072665026","19.54202353","635.4074936","0.025338701","0.057433868","2.166602542","-3.9741"
+"UMLCN0177","L","propyl valerate","CCCCC(=O)OCCC","C8H16O","Esters","","Marquardt (2015)","IQT","20.7","0.666666667","0.060039182","1.047900149","0.938124726","0.715496191","8.80E-04","0","0.421045266","0.046048821","4.070124244","262.495046","0.048258013","0.022008994","0.827299039","-0.8061"
+"UMLCN0178","L","2-ethoxyethyl ether","CCOCCOCCOCC","C8H18O3","Ethers","","NREL (2014)","Other Ignition Delay Method","123","0.8","0.047419633","1.321375787","1.840997861","1.789661224","1.61E-04","0.002888364","0.30918291","0.031853849","4.218966837","374.1424547","-0.271302061","0.00450595","1.98309569","0.2895"
+"UMLCN0179","L","tetrahydrofurfuryl acetate","CC(=O)OCC1CCCO1","C7H12O3","Esters","Cyclic Ethers","Marquardt (2015)","IQT","18.2","0.3","0.040741172","0.99302968","1.16557003","1.033490429","-0.00328681","0","0.520734377","0.023392481","3.347694633","237.1884537","0.0024667","-0.072309818","0.579767614","-0.8385"
+"UMLCN0180","L","1,4-diethoxybutane","CCOCCCCOCC","C8H18O2","Ethers","","NREL (2014)","Blend (Method?)","97","0.777777778","0.078025676","1.327022169","1.689444514","1.697082469","0.002253248","0","0.338375027","0.050815783","5.650891282","361.4829572","-0.105398135","0.060837694","1.911063393","-0.1556"
+"UMLCN0181","L","methyl tetradecanoate","CCCCCCCCCCCCCC(=O)OC","C15H30O2","Esters","","Marquardt (2015)","IQT","75.8","0.8125","0.109532992","1.234924708","1.005888059","0.743882526","0.001100253","5.107616267","0.290368353","0.076457264","15.06477076","473.0208847","0.015046927","0.050611629","2.069726327","-3.0707"
+"UMLCN0182","L","ethyl acetoacetate","CCOC(=O)CC(=O)C","C6H10O3","Esters","Ketones","Marquardt (2015)","IQT","13.7","0.5","0.040965135","0.764876176","0.868595387","0.733588121","-0.003359222","0","0.563635123","0.035932185","0.236064815","142.9631561","0.092129231","-0.060465994","0.71104079","0.0425"
+"UMLCN0183","L","isobutyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OCC(C)C","C20H40O2","Esters","","NREL (2014)","Unknown","84","0.80952381","0.093200912","1.245172348","0.989577447","0.720146602","9.62E-04","9.859043213","0.280156018","0.069728505","18.57001285","646.6308661","0.022352686","0.058709544","2.235232862","-3.1645"
+"UMLCN0184","L","isopropyl hexadecanoate","CCCCCCCCCCCCCCCC(=O)OC(C)C","C19H38O2","Esters","","NREL (2014)","Other Ignition Delay Method","83","0.8","0.103234057","1.22102197","0.921399482","0.684845542","9.90E-04","8.030552781","0.273122045","0.071971445","17.97594137","590.8027603","0.071710325","0.057433868","2.314990465","-3.6968"
+"UMLCN0185","L","ethyl hexanoate","CCCCCC(=O)OCC","C8H16O2","Esters","","NREL (2014)","IQT","27.8","0.666666667","0.070052379","1.047900149","0.925271279","0.715496191","8.80E-04","0","0.421045266","0.047294375","4.33352277","268.7823711","0.057624304","0.022008994","0.93709723","-0.5163"
+"UMLCN0186","L","dibutoxymethane","CCCCOCOCCCC","C9H20O2","Ethers","","NREL (2014)","Unknown","74","0.8","0.061798469","1.330332154","1.496773554","1.459495567","0.00241278","0","0.346018323","0.034344336","6.795084877","352.0420786","-0.048828449","0.072383401","1.661605645","-1.3289"
+"UMLCN0187","L","oleic acid","CCCCCCCC/C=C\CCCCCCCC(=O)O","C18H34O2","Acids","Olefins","NREL (2014)","Other Ignition Delay Method","46","0.789473684","0.099525906","1.237759737","0.604349855","0.37486031","-0.00162899","1.748294402","0.3551738","0.066984323","16.5795492","452.4697718","0.091505618","-0.086336444","1.597015388","-2.3427"
+"UMLCN0188","L","propyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC","C21H38O2","Esters","Olefins","NREL (2014)","Other Ignition Delay Method","42.5","0.772727273","0.078067094","1.247278369","1.03437322","0.744027453","9.28E-04","5.395066954","0.380117579","0.052506585","15.40306059","636.4422394","0.009217078","0.055699186","1.055156196","-1.0249"
+"UMLCN0189","L","2-ethoxyethyl acetate","CCOCCOC(=O)C","C6H12O3","Esters","Ethers","NREL (2014)","Blend (20%, method?)","40","0.625","0.03676634","1.011165171","1.300691404","1.173114928","-0.003874661","0","0.482056282","0.023651232","1.528291761","243.9087621","-0.008547303","-0.077493224","0.83379881","0.1406"
+"UMLCN0190","L","methyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC","C19H34O2","Esters","Olefins","NREL (2014)","IQT","43.9","0.75","0.083721628","1.238710898","1.06405164","0.774347719","9.74E-04","3.380275642","0.396299283","0.05469621","13.87820984","553.2676003","-0.005317533","0.052594512","1.133900509","-0.6975"
+"UMLCN0191","L","menthyl acetate","CC1CCC(C(C1)OC(=O)C)C(C)C","C12H22O2","Esters","Cyclic","Marquardt (2015)","IQT","19.5","0.214285714","0.059366215","0.964473307","0.79688508","0.625079685","0.00110137","0","0.396229377","0.045340087","3.527597317","309.8501129","0.097763317","0.039649333","1.278863889","1.0354"
+"UMLCN0192","L","dibutyl ether","CCCCOCCCC","C8H18O","Ethers","","Marquardt (2015)","IQT","115.4","0.75","0.087115428","1.352177398","1.660505507","1.601506437","0.002227674","1.34E-238","0.321877869","0.065122868","6.818133503","298.0820095","-0.074431487","0.057919517","1.759621296","-1.1803"
+"UMLCN0193","L","Tripropylene glycol monomethyl ether","CC(CO)OCC(C)OCC(C)OC","C10H22O4","Ethers","Alcohols","NREL (2014)","IQT","81.3","0.615384615","0.048993677","1.151480034","1.537913927","1.538090485","-0.004699852","0","0.40221454","0.023609807","1.105047084","358.3646565","-0.294945715","-0.164494827","1.313450348","-0.7828"
+"UMLCN0194","L","diethoxymethane","CCOCOCC","C5H12O2","Ethers","","Marquardt (2015)","IQT","57.3","0.666666667","0.058925565","1.26763321","1.54161481","1.586845118","1.70E-04","0","0.392650579","0.058925565","1.909722222","241.7311066","-0.019342122","0.00305569","1.658409211","0.4027"
+"UMLCN0195","L","2-isopropoxyethanol","CC(C)OCCO","C5H12O2","Ethers","Alcohols","Marquardt (2015)","IQT","27.8","0.5","0.052704628","1.151229642","1.238847762","1.344871908","-0.007598684","0","0.47895647","0","0.579212963","212.5654686","-0.086425303","-0.13677631","1.132093421","-0.539"
+"UMLCN0196","L","dipropylene glycol monomethyl ether","CCC(O)OCCCOC","C7H16O3","Ethers","Alcohols","Marquardt (2015)","IQT","43.9","0.666666667","0.054494591","1.212747559","1.255374941","1.34994335","-0.00668688","1.92E-289","0.471380398","0.033054258","2.749824499","293.819351","-0.008727565","-0.167172","0.856333173","-1.0355"
+"UMLCN0197","L","ethylene glycol vinyl ether","C=COCCO","C6H12O3","Ethers","Alcohols","Marquardt (2015)","IQT","14","0.6","0.0372678","1.281620294","1.293375526","1.487222702","-0.016717325","0","0.723188261","0","0.412222222","192.4359345","-0.105175173","-0.217325224","0.428571429","-0.4047"
+"UMLCN0198","L","propylene glycol monomethyl ether acetate","CC(COC)OC(=O)C","C6H12O3","Ethers","Esters","Marquardt (2015)","IQT","24","0.5","0.02731009","0.926173318","1.324476093","1.168135216","-0.003874661","0","0.533606112","0.02395479","0.457916667","230.9053665","-0.014540755","-0.077493224","0.774507738","-0.1205"
+"UMLCN0199","L","gamma-undecanolactone","CCCCCCCC1CCC(=O)O1","C11H20O2","Cyclic Esters","","Marquardt (2015)","IQT","52.6","0.461538462","0.067970625","1.093419654","0.83416157","0.638990232","0.001053914","9.39E-60","0.362688598","0.049877359","9.14044097","300.0106447","0.082563566","0.034779152","1.041349333","-2.0714"
+"UMLCN0200","L","delta-undecalactone","CCCCCCC1CCCC(=O)O1","C11H20O2","Cyclic Esters","","Marquardt (2015)","IQT","48.6","0.384615385","0.062152554","1.093419654","0.853783857","0.638990232","0.001053914","3.40E-60","0.362688598","0.042604924","8.882738804","280.1639358","0.070356495","0.034779152","0.920137211","-2.0714"
+"UMLCN0201","L","epsilon-decalactone","CCCCC1CCCCC(=O)O1","C10H18O2","Cyclic Esters","","Marquardt (2015)","IQT","40.5","0.25","0.061488485","1.063780595","0.850469571","0.636605503","9.64E-04","0","0.384753452","0.038733813","7.295814909","260.2503126","0.068708669","0.028934933","0.920321349","-1.7834"
+"UMLCN0202","L","whiskey lactone","CCCCC1C(CC(=O)O1)C","C9H16O2","Cyclic Esters","","Marquardt (2015)","IQT","27.2","0.272727273","0.052127043","0.963850618","0.822728158","0.629216944","8.07E-04","0","0.448872053","0.04371804","4.014726946","198.714612","0.077929641","0.021792","0.828315851","-0.786"
+"UMLCN0203","L","butyl levulinate","CCCCOC(=O)CCC(=O)C","C9H16O3","Ketones","Esters","NREL (2014)","IQT","14.4","0.636363636","0.042611863","0.924790662","0.811529028","0.67148458","-3.15E-04","0","0.479963506","0.032151585","2.90579743","270.8763816","0.098414134","-0.008517653","0.76820625","-0.7885"
+"UMLCN0204","L","3-octanone","CCCCCC(=O)CC","C8H16O","Ketones","","NREL (2014)","IQT","36","0.625","0.097354846","1.102889283","0.814828174","0.545713079","-1.61E-04","0","0.373323509","0.075935911","4.999962207","230.0084909","-0.010007142","-0.003873818","1.214581119","-0.9556"
+"UMLCN0205","L","cycloheptanone","C1CCCC(=O)CC1","C7H12O","Ketones","Cyclic","Marquardt (2015)","IQT","22.5","0","0.084154684","1.102695062","0.755909516","0.507391784","5.16E-17","0","0.386621563","0.056629865","6.509074074","265.5980315","-0.010050571","1.03E-15","1.7","-1.3462"
+"UMLCN0206","L","2-nonanone","CCCCCCCC(=O)C","C9H18O","Ketones","","Marquardt (2015)","IQT","46.1","0.666666667","0.113239216","1.140925609","0.786907803","0.554275233","-1.64E-04","9.62E-244","0.356133229","0.077993185","6.994269652","280.3154686","0.002927407","-0.004431755","1.356220302","-1.6078"
+"UMLCN0207","L","4-methyl-2-pentanone","CC(C)CC(=O)C","C6H12O","Ketones","","Marquardt (2015)","IQT","12.6","0.333333333","0","0.88646729","0.696126185","0.520629855","-1.36E-04","0","0.44221035","0","0.722222222","199.039415","0.013412093","-0.002447645","1.500662633","0.3538"
+"UMLCN0208","L","3-pentanone","CCC(=O)CC","C5H10O","Ketones","","NREL (2014)","IQT","14.6","0.4","0","0.915782169","0.753907397","0.530805128","-1.04E-04","0","0.418448735","0","1.381944444","218.9238148","-0.00114821","-0.00156025","1.969360938","-0.0916"
+"UMLCN0209","L","3,3,5-trimethylcyclohexanone","CC1CC(=O)CC(C1)(C)C","C9H16O","Ketones","Cyclic","Marquardt (2015)","IQT","11.9","0","0.057008892","0.884110682","0.692529899","0.489426722","5.84E-17","0","0.421045266","0.044659908","2.805069444","223.6714077","0.004558603","1.52E-15","1.087102404","1.1746"
+"UMLCN0210","L","2-octanone","CCCCCCC(=O)C","C8H16O","Ketones","","Marquardt (2015)","IQT","36.6","0.625","0.11029902","1.102889283","0.767186085","0.545713079","-1.61E-04","0","0.379825756","0.070953696","5.601625094","231.8279394","0.005050346","-0.003873818","1.294581119","-1.3198"
+"UMLCN0211","L","menthone","C[C@@H]1CC[C@H](C(=O)C1)C(C)C","C10H18O","Ketones","Cyclic","Marquardt (2015)","IQT","20.6","0.090909091","0.0669367","1.003861905","0.811189808","0.512353443","5.34E-17","0","0.405077544","0.055257759","3.189583333","268.2287308","-0.022216392","1.55E-15","1.423593535","0.8438"
+"UMLCN0212","L","4-hydroxy-4-methyl-2-pentanone","CC(=O)CC(C)(C)O","C6H12O2","Ketones","Alcohols","Marquardt (2015)","IQT","11.5","0.285714286","0","0.693373129","0.63002045","0.643711508","-0.007283251","0","0.53662177","0","0.243055556","162.2454091","0.073309273","-0.13838176","1.42932953","-0.0853"
+"UMLCN0213","L","2,4-dimethyl-3-pentanone","CC(C)C(=O)C(C)C","C7H14O","Ketones","","NREL (2014)","IQT","14.4","0.285714286","0","0.866015446","0.824455996","0.514762337","-1.53E-04","0","0.354759099","0","0","233.2911362","-0.019467619","-0.003217983","2.703590074","1.2048"
+"UMLCN0214","L","cyclohexanone","C1CCC(=O)CC1","C6H10O","Ketones","","Marquardt (2015)","IQT","10.4","0","0.07904902","1.052377745","0.727708198","0.495821859","2.91E-17","0","0.424723413","0.036084392","5.239490741","173.793781","-0.007829247","4.94E-16","1.294117647","-1.0582"
+"UMLCN0215","L","2-heptanone","CCCCCC(=O)C","C7H14O","Ketones","","NREL (2014)","IQT","30","0.571428571","0.100343679","1.05569469","0.747219064","0.53828678","-1.53E-04","0","0.408222011","0.088015518","4.242592593","221.3219381","0.007138899","-0.003217983","1.232700704","-1.0318"
+"UMLCN0216","L","1-methyl-3-dodecylcyclohexane","CCCCCCCCCCCCC1CCCC(C1)C","C19H38","Naphthenes","","NREL (2014)","Unknown","70","0.578947368","0.104958951","1.396121884","1.36407367","1.396121884","-1.06E-16","4.252674173","0.211896183","0.076889161","22.32197253","589.1252643","-0.028429964","-6.06E-15","2.227558101","-2.4602"
+"UMLCN0217","L","cyclohexyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1","C26H52","Naphthenes","","Creton (2011)","Unknown","66","0.692307692","0.103637463","1.423816568","1.409035881","1.423816568","-4.71E-16","6.196142774","0.187106342","0.072461978","32.83296962","784.0300652","-0.046333934","-3.68E-14","3.040162615","-4.6712"
+"UMLCN0218","L","methylcyclohexane","CC1CCCCC1","C7H14","Naphthenes","","Marquardt (2015)","IQT","24.4","0","0.112630946","1.326530612","1.274217785","1.326530612","7.54E-17","0","0.296253813","0.102062073","7.437175926","270.7619589","-0.00797372","1.58E-15","1.976655953","-0.2194"
+"UMLCN0219","L","propylcyclohexane","CCCC1CCCCC1","C9H18","Naphthenes","","Creton (2011)","Unknown","52","0.222222222","0.109107988","1.364197531","1.335971829","1.364197531","7.55E-17","0","0.262278496","0.082133213","10.43243481","326.8177894","-0.013958174","2.04E-15","1.494982518","-0.64"
+"UMLCN0220","L","bicyclohexyl","C1CCC(CC1)C2CCCCC2","C12H22","Naphthenes","","NREL (2014)","Unknown","51","0.076923077","0.091359936","1.357638889","1.347884307","1.357638889","2.84E-04","0","0.229207976","0.058925565","15.39064815","370.5526534","-0.016829988","0.009929536","2.456169853","-1.3178"
+"UMLCN0221","L","cyclohexane","C1CCCCC1","C6H12","Naphthenes","","Marquardt (2015)","IQT","20","0","0.125","1.416666667","1.416666667","1.416666667","7.53E-17","0","0.220218789","0","9","241.3393075","-0.012544065","1.35E-15","3.251629167","-1.728"
+"UMLCN0222","L","n-butyldecalin","CCCCC1CCCC2C1CCCC2","C14H26","Naphthenes","","NREL (2014)","Unknown","31","0.2","0.082694318","1.326530612","1.307749979","1.326530612","2.44E-04","0","0.247520831","0.057578333","15.26512039","387.1592103","-0.018104244","0.01002001","1.609113199","-1.029"
+"UMLCN0223","L","1,3,5-trimethylcyclohexane","CC1CC(CC(C1)C)C","C9H18","Naphthenes","","Marquardt (2015)","IQT","30.5","0","0.082133213","1.203703704","1.079424157","1.203703704","7.59E-17","0","0.304237833","0.077435936","4.387916667","305.3060609","2.84E-04","2.05E-15","2.557727779","0.5874"
+"UMLCN0224","L","sec-butyldecalin","CCC(C)C1CCCC2C1CCCC2","C14H26","Naphthenes","","Creton (2011)","Unknown","34","0.133333333","0.079481942","1.275510204","1.233631073","1.275510204","2.44E-04","0","0.266189669","0.054262589","12.16428784","388.8576011","-0.012985224","0.01002001","1.229031486","-0.8632"
+"UMLCN0225","L","2-methyl-2-cyclohexylpentadecane","CCCCCCCCCCCCCC(C)(C)C1CCCCC1","C22H44","Naphthenes","","Creton (2011)","Unknown","45","0.590909091","0.102010161","1.342975207","1.290864117","1.342975207","-3.35E-16","1.90595586","0.211749586","0.069784933","25.0715185","602.7603982","-0.022591032","-2.21E-14","2.455338916","-2.799"
+"UMLCN0226","L","2-methyl-2-decalyldecane","CCCCCCCCC(C)(C)C1CCCC2CCCCC12","C21H40","Naphthenes","","Creton (2011)","Unknown","37","0.363636364","0.079948375","1.279478458","1.222967873","1.279478458","1.64E-04","2.451863365","0.237952084","0.05298832","20.92066162","552.8582606","-0.014633256","0.010197689","1.444901074","-1.1882"
+"UMLCN0227","L","1,2,4-trimethylcyclohexane","CC1CCC(C(C1)C)C","C9H18","Naphthenes","","Marquardt (2015)","IQT","24.4","0","0.095114297","1.203703704","1.082116933","1.203703704","7.59E-17","0","0.304237833","0.072067619","4.383935185","294.6332198","-3.52E-04","2.05E-15","1.478375813","0.9738"
+"UMLCN0228","L","n-propyltetralin","CCCC1CCCC2=CC=CC=C12","C13H18","Naphthenes","Aromatics","NREL (2014)","Unknown","8","0.142857143","0.049348562","1.126068376","1.095979895","1.126068376","2.50E-04","0","0.483637683","0.032409827","6.790610355","288.1269487","-0.018025897","0.007995821","0.604996371","0.755"
+"UMLCN0229","L","cyclohexyltetradecane","CCCCCCCCCCCCCCC1CCCCC1","C20H40","Naphthenes","","Creton (2011)","Unknown","57","0.65","0.112821158","1.438125","1.425318692","1.438125","-2.44E-16","5.839153684","0.187570942","0.080925003","26.92987876","609.7209567","-0.036915527","-1.46E-14","2.987788637","-3.808"
+"UMLCN0230","L","3-cyclohexylhexane","CCCCCCC1CCCCC1","C12H24","Naphthenes","","NREL (2014)","Unknown","36","0.416666667","0.106731737","1.397569444","1.376098338","1.397569444","7.55E-17","0","0.230279072","0.074886355","14.93402006","405.3151615","-0.020190204","2.72E-15","2.254924219","-1.504"
+"UMLCN0231","L","tert-butyldecalin","CC(C)(C)C1CCCC2C1CCCC2","C14H26","Naphthenes","","NREL (2014)","Unknown","24","0.066666667","0.077708","1.173469388","1.061445932","1.173469388","2.44E-04","0","0.288919873","0.052236177","10.63952664","387.8149196","0.00337226","0.01002001","1.432105313","1.0681"
+"UMLCN0232","L","n-propyldecalin","CCCC1CCCC2C1CCCC2","C13H24","Naphthenes","","NREL (2014)","Unknown","35","0.142857143","0.082915315","1.313609467","1.293177082","1.313609467","2.63E-04","0","0.256428118","0.058012429","13.75236229","388.7243779","-0.016053537","0.00997839","1.291201014","-0.741"
+"UMLCN0233","L","n-butylcyclohexane","CCCCC1CCCCC1","C10H20","Naphthenes","","NREL (2014)","IQT","47.8","0.3","0.108101429","1.3775","1.351813003","1.3775","1.22E-16","0","0.249772269","0.079642106","11.93358489","334.41992","-0.016021924","3.66E-15","1.962358847","-0.928"
+"UMLCN0234","L","hept-2-ene","CCCCC=CC","C7H14","Olefins","","NREL (2014)","20% Blend, CFR","44","0.5","0.11785113","1.30952381","1.382359431","1.30952381","-5.27E-04","0","0.468557469","0.11785113","3.904444444","252.3229699","-0.022405807","-0.010540444","0.738560714","0.6382"
+"UMLCN0235","L","ethylcyclohexane","CCC1CCCCC1","C8H16","Naphthenes","","NREL (2014)","IQT","35.8","0.125","0.110517172","1.34765625","1.312816003","1.34765625","1.22E-16","0","0.277440701","0.087115428","8.931064815","283.9219924","-0.011594894","2.94E-15","1.562907292","-0.8956"
+"UMLCN0236","L","ethenylcyclohexane","C=CC1CCCCC1","C8H14","Olefins","Cyclic","Creton (2011)","Unknown","38","0.125","0.094570577","1.325892857","1.121723238","1.325892857","7.96E-17","0","0.445319897","0.058925565","7.088009259","241.0508046","-0.017748253","1.75E-15","1.181818182","0.0486"
+"UMLCN0237","L","1-decene","CCCCCCCCC=C","C10H20","Olefins","","Marquardt (2015)","IQT","49.1","0.777777778","0.126180168","1.409722222","1.275940415","1.409722222","-3.63E-04","3.90E-58","0.390302752","0.089431479","9.537926351","322.9570992","-0.029162481","-0.010540444","1.373976032","-0.7136"
+"UMLCN0238","L","1-hexene","CCCCC=C","C6H12","Olefins","","NREL (2014)","IQT","25.8","0.6","0.144337567","1.345833333","1.214631295","1.345833333","-6.20E-04","0","0.529911443","0","3.755972222","202.5850787","-0.020787935","-0.010540444","0.708604861","0.4384"
+"UMLCN0239","L","2,2,6,6,8,8-hexamethyl-4-methylene-nonane","C=C(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H32","Olefins","","Creton (2011)","Unknown","5","0.4","0.057507502","0.930208333","0.736390024","0.930208333","-2.24E-04","1.37E-232","0.328697353","0.049677791","3.54690051","407.7729014","0.03315004","-0.010540444","1.985902344","5.9071"
+"UMLCN0240","L","1-heptene","CCCCCC=C","C7H14","Olefins","","NREL (2014)","IQT","32","0.666666667","0.12319982","1.369047619","1.231003764","1.369047619","-5.27E-04","0","0.484342902","0.102062073","5.174305556","230.7412101","-0.022845849","-0.010540444","1.160215618","0.1504"
+"UMLCN0241","L","1-octene","CCCCCCC=C","C8H16","Olefins","","NREL (2014)","IQT","40","0.714285714","0.126966947","1.386160714","1.247155141","1.386160714","-4.58E-04","0","0.446918379","0.087115428","6.615915533","279.8131819","-0.024941843","-0.010540444","1.23373502","-0.1376"
+"UMLCN0242","L","1-hexadecene","CCCCCCCCCCCCCCC=C","C16H32","Olefins","","NREL (2014)","IQT","75.9","0.866666667","0.12553644","1.444270833","1.335345955","1.444270833","-2.24E-04","6.00573944","0.296265469","0.0888056","18.42834374","512.9663171","-0.041830134","-0.010540444","2.348521999","-2.4416"
+"UMLCN0243","L","9-methylheptadecane","CCCCCCCCC(C)CCCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","66","0.823529412","0.12532864","1.417587178","1.383365453","1.417587178","-1.99E-04","2.155825225","0.208272756","0.087390948","20.31403877","582.8937517","-0.031190936","-0.01092025","2.82569341","-2.7088"
+"UMLCN0244","L","diethylene glycol monomethyl ether","COCCOCCO","C5H12O3","Olefins","","Marquardt (2015)","IQT","38.3","0.714285714","0.048745259","1.338604698","1.568739622","1.684920274","-0.013740086","0","0.444070485","0.030150283","1.656879252","310.7138054","-0.269214598","-0.26106164","1.137744375","-0.6198"
+"UMLCN0245","L","cyclooctane","C1CCCCCCC1","C8H16","Olefins","","NREL (2014)","IQT","22.3","0","0.125","1.4375","1.4375","1.4375","1.22E-16","0","0.200284263","0.088388348","12","299.8670477","-0.016725419","2.94E-15","3.666666667","-2.304"
+"UMLCN0246","L","5-butyldodecane","CCCCCCCC(CCCC)CCCC","C16H34","Alkanes","","NREL (2014)","Unknown","45","0.8","0.119845708","1.407398897","1.376075094","1.407398897","-2.24E-04","0.014811042","0.217739904","0.085430658","17.35815141","537.2627401","-0.028798934","-0.010966278","2.572387427","-1.9774"
+"UMLCN0247","L","1-dodecene","CCCCCCCCCCC=C","C12H24","Olefins","","NREL (2014)","IQT","56.8","0.818181818","0.125842977","1.425189394","1.299647205","1.425189394","-3.01E-04","0.001210964","0.349907003","0.089083768","12.48818398","381.4174916","-0.033385028","-0.010540444","1.644980026","-1.2896"
+"UMLCN0248","L","2-methyl-1,3-butadiene","CC(=C)C=C","C5H8","Olefins","","Marquardt (2015)","IQT","13","0.25","0","0.975","0.886610173","0.975","-7.48E-04","0","0.61824645","0","0","114.3750474","-0.001123338","-0.008981207","1.242751303","1.8614"
+"UMLCN0249","L","7,10-dimethyl-8-hexadecene","CCCCCCC(C)C=CC(C)CCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","43","0.705882353","0.09900092","1.342320261","1.24714008","1.342320261","-1.99E-04","1.49667138","0.291446015","0.063612173","13.90439206","575.4898686","-0.023684053","-0.010540444","2.152570944","-0.9556"
+"UMLCN0250","L","2,5-dimethyl-2,4-hexadiene","CC(=CC=C(C)C)C","C8H14","Olefins","","Marquardt (2015)","IQT","19.9","0.142857143","0.083333333","0.916666667","1.323153486","0.916666667","-4.57E-04","0","0.418805366","0","0","204.373103","-0.008593573","-0.009604","2.591797728","3.1124"
+"UMLCN0251","L","1,9-decadiene","C=CCCCCCCC=C","C10H18","Olefins","","Marquardt (2015)","IQT","41","0.777777778","0.106649658","1.4","1.22255388","1.4","-3.63E-04","1.15E-73","0.461172916","0.072168784","7.655936791","276.9545944","-0.036998333","-0.009801","1.714285714","0.7742"
+"UMLCN0252","L","1-nonene","CCCCCCCC=C","C9H18","Olefins","","NREL (2014)","Unknown","51","0.75","0.12647521","1.399305556","1.262212595","1.399305556","-4.05E-04","3.83E-255","0.416055921","0.089779189","8.07206987","286.0507487","-0.027051327","-0.010540444","1.304417813","-0.4256"
+"UMLCN0253","L","7-hexyl-7-pentadecene","CCCCCCCC=C(CCCCCC)CCCCCC","C21H42","Olefins","","NREL (2014)","Unknown","47","0.8","0.096862065","1.383928571","1.400402599","1.383928571","-1.70E-04","1.074029909","0.263679718","0.062389344","22.38700222","670.8877002","-0.040607552","-0.010540444","2.25443303","-2.9375"
+"UMLCN0254","L","3-octene","CCCCC=CCC","C8H16","Olefins","","Marquardt (2015)","IQT","36","0.571428571","0.106345198","1.334821429","1.328515501","1.334821429","-4.58E-04","0","0.424722949","0.083333333","5.109730726","290.9047384","-0.021216894","-0.010540444","0.812907292","-0.038"
+"UMLCN0255","L","2-methyloctadecane","CCCCCCCCCCCCCCCCC(C)C","C19H40","Alkanes","","Marquardt (2015)","IQT","104","0.833333333","0.129822422","1.421883657","1.384784996","1.421883657","-1.88E-04","9.619412469","0.204106829","0.09206062","21.96741108","645.2038713","-0.031744285","-0.010900776","3.216916612","-3.1522"
+"UMLCN0256","L","2,2-dimethyloctane","CCCCCCC(C)(C)C","C10H22","Alkanes","","NREL (2014)","Unknown","59","0.555555556","0.128033009","1.202424242","1.05146277","1.202424242","-3.62E-04","0","0.264267899","0.088388348","6.9844572","350.0430602","0.003655308","-0.011209516","2.254342671","0.5179"
+"UMLCN0257","L","2,6,10-trimethyldodecane (aka farnesane)","CCC(C)CCCC(C)CCCC(C)C","C15H32","Alkanes","","NREL (2014)","IQT","58.6","0.642857143","0.107974306","1.301203704","1.203002807","1.301203704","-2.39E-04","1.95E-04","0.249169728","0.084930461","9.961896314","484.1932553","-0.009767503","-0.010993746","2.102340424","1.0494"
+"UMLCN0258","L","7,8-dimethyltetradecane","CCCCCCC(C)C(C)CCCCCC","C16H34","Alkanes","","NREL (2014)","Unknown","40","0.733333333","0.115286277","1.3604856","1.304978031","1.3604856","-2.24E-04","1.67E-26","0.233881905","0.077372362","14.28809335","489.4093463","-0.021603632","-0.010966278","2.518966738","-1.4234"
+"UMLCN0259","L","3-ethylpentane","CCC(CC)CC","C7H16","Alkanes","","Marquardt (2015)","IQT","34.1","0.5","0","1.290816327","1.218871993","1.290816327","-5.22E-04","0","0.293460064","0","4.0625","283.8326534","-0.009219332","-0.01147693","2.524888564","-1.0162"
+"UMLCN0260","L","n-hexane","CCCCCC","C6H14","Alkanes","","NREL (2014)","IQT","47.9","0.6","0.25","1.382275132","1.346838172","1.382275132","-6.12E-04","0","0.267653608","0","5.536388889","259.5942843","-0.012762229","-0.01162084","2.560964047","-1.0494"
+"UMLCN0261","L","n-heptane","CCCCCCC","C7H16","Alkanes","","Marquardt (2015)","IQT","52.8","0.666666667","0.176776695","1.398384354","1.366325958","1.398384354","-5.22E-04","0","0.254054166","0.176776695","7.008611111","292.0473291","-0.01485432","-0.01147693","2.553437215","-1.3374"
+"UMLCN0262","L","4,5-diethyloctane","CCCC(CC)C(CC)CCC","C12H26","Alkanes","","NREL (2014)","Unknown","20","0.636363636","0.136535507","1.314369658","1.262425798","1.314369658","-3.00E-04","0","0.259250401","0.100592232","8.361258503","387.0838775","-0.01698592","-0.011102504","2.17708042","-1.0478"
+"UMLCN0263","L","5-butylnonane","CCCCC(CCCC)CCCC","C13H28","Alkanes","","NREL (2014)","Unknown","53","0.75","0.12319982","1.386306002","1.34877446","1.386306002","-2.77E-04","0","0.235680454","0.092097643","12.88495607","437.5390336","-0.022540069","-0.011060883","2.750833376","-1.1134"
+"UMLCN0264","L","2-methylheptadecane","CCCCCCCCCCCCCCCC(C)C","C18H38","Alkanes","","Marquardt (2015)","IQT","91","0.823529412","0.130193377","1.417587178","1.378563049","1.417587178","-1.99E-04","8.633792475","0.208272756","0.092366643","20.47217337","564.4156564","-0.029653607","-0.01092025","3.09999681","-2.8642"
+"UMLCN0265","L","2,2,4,6,6-pentamethylheptane","CC(CC(C)(C)C)CC(C)(C)C","C12H26","Alkanes","","NREL (2014)","Unknown","9","0.363636364","0.072168784","1.001424501","0.714165546","1.001424501","-3.00E-04","0","0.268568819","0.072168784","2.675138889","359.4168855","0.029856353","-0.011102504","2.824297698","3.8882"
+"UMLCN0266","L","10,13-dimethyldocosane","CCCCCCCCCC(C)CCC(C)CCCCCCCCC","C24H50","Alkanes","","Creton (2011)","Unknown","56","0.826086957","0.120771359","1.406770833","1.36544667","1.406770833","-1.48E-04","9.761621618","0.200757737","0.082152958","26.1842396","735.6983312","-0.037059756","-0.010827246","3.145515621","-2.6402"
+"UMLCN0267","L","2,2,3-trimethylbutane","CC(C)C(C)(C)C","C7H16","Alkanes","","NREL (2014)","IQT","12.9","0.166666667","0","0.968112245","0.68757046","0.968112245","-5.22E-04","0","0.273277186","0","0","262.6873786","0.016606589","-0.01147693","2.601787454","2.1291"
+"UMLCN0268","L","2,2-dimethylbutane","CCC(C)(C)C","C6H14","Alkanes","","Marquardt (2015)","IQT","24.4","0.2","0","1.005291005","0.746388332","1.005291005","-6.12E-04","0","0.29079143","0","1.270833333","242.401853","0.012698697","-0.01162084","2.43414781","1.8631"
+"UMLCN0269","L","9,10-dimethyloctadecane","CCCCCCCCC(C)C(C)CCCCCCCC","C20H42","Alkanes","","NREL (2014)","Unknown","60","0.789473684","0.117571859","1.388234127","1.343336581","1.388234127","-1.78E-04","1.675099297","0.215028264","0.080966154","20.22851118","640.5177604","-0.029966149","-0.010883201","2.66077237","-2.5754"
+"UMLCN0270","L","n-octane","CCCCCCCC","C8H18","Alkanes","","NREL (2014)","CFR","64","0.714285714","0.159517797","1.410590278","1.381396894","1.410590278","-4.55E-04","0","0.242555111","0.125","8.488202948","304.9653617","-0.01694509","-0.01136684","2.566502152","-1.6254"
+"UMLCN0271","L","2,6-dimethyloctane","CCC(C)CCCC(C)C","C10H22","Alkanes","","Marquardt (2015)","IQT","51.7","0.555555556","0.116244858","1.277575758","1.171711416","1.277575758","-3.62E-04","0","0.274328152","0.097140452","5.600980726","354.7794693","-0.005985228","-0.011209516","1.80152314","0.6928"
+"UMLCN0272","L","2,2,4,4,6,8,8-heptamethylnonane ","CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C","C16H34","Alkanes","","NREL (2014)","CFR","15","0.4","0.068325557","0.985179228","0.687948053","0.985179228","-2.24E-04","7.09E-247","0.25223879","0.061326299","3.996622732","422.9434232","0.042109906","-0.010966278","2.426466251","5.2586"
+"UMLCN0273","L","octadecan-1-ol","CCCCCCCCCCCCCCCCCCO","C18H38O","Alcohols","","NREL (2014)","Other Ignition Delay Method","81","0.888888889","0.125416688","1.428502473","0.919879637","0.938959167","-0.001224968","10.47680987","0.227761539","0.088705656","22.5455342","599.6416148","-0.059485811","-0.068598227","3.167008875","-5.0054"
+"UMLCN0274","L","3-ethyldecane","CCCCCCCC(CC)CC","C12H26","Alkanes","","NREL (2014)","Unknown","48","0.727272727","0.12809115","1.376958689","1.33298828","1.376958689","-3.00E-04","2.95E-32","0.242977749","0.090938416","11.40923202","425.6232672","-0.019931659","-0.011102504","1.891429026","-1.9126"
+"UMLCN0275","L","n-heptadecane","CCCCCCCCCCCCCCCCC","C17H36","Alkanes","","NREL (2014)","Unknown","105","0.875","0.133629449","1.456939639","1.441115177","1.456939639","-2.10E-04","9.562243659","0.187295492","0.095045012","21.91565347","567.6378178","-0.035761191","-0.010941949","3.497469369","-4.2174"
+"UMLCN0276","L","n-eicosane","CCCCCCCCCCCCCCCCCCCC","C20H42","Alkanes","","NREL (2014)","Unknown","110","0.894736842","0.131903559","1.46327381","1.44957654","1.46327381","-1.78E-04","10.86743529","0.177766169","0.093618584","26.40633676","680.3171251","-0.042033223","-0.010883201","3.812170061","-5.0814"
+"UMLCN0277","L","2-methylpentane","CCCC(C)C","C6H14","Alkanes","","NREL (2014)","IQT","34.5","0.4","0","1.256613757","1.154757971","1.256613757","-6.12E-04","0","0.305196025","0","2.706018519","247.7580722","-0.004579185","-0.01162084","1.691585155","0.5918"
+"UMLCN0278","L","n-tetradecane","CCCCCCCCCCCCCC","C14H30","Alkanes","","NREL (2014)","IQT","85.1","0.846153846","0.136505932","1.447959184","1.429240693","1.447959184","-2.56E-04","5.913181172","0.199774057","0.097541261","17.4291062","506.169645","-0.029489158","-0.011025","3.141791613","-3.3534"
+"UMLCN0279","L","n-decane","CCCCCCCCCC","C10H22","Alkanes","","Marquardt (2015)","IQT","65.5","0.777777778","0.145710678","1.427878788","1.403214125","1.427878788","-3.62E-04","8.90E-34","0.224328152","0.106694174","11.46023227","379.4271945","-0.021126449","-0.011209516","2.647782999","-2.2014"
+"UMLCN0280","L","2,5-dimethylundecane","CCCCCCC(C)CCC(C)C","C13H28","Alkanes","","NREL (2014)","Unknown","58","0.666666667","0.127966941","1.328543252","1.247718412","1.328543252","-2.77E-04","5.37E-74","0.252218441","0.082007706","9.984476358","435.1444855","-0.012536695","-0.011060883","2.033758","0.3724"
+"UMLCN0281","L","3-methylheptane","CCCCC(C)CC","C8H18O","Alkanes","","Marquardt (2015)","IQT","45","0.571428571","0.164266427","1.316550926","1.243712962","1.316550926","-4.55E-04","0","0.281462171","0.144337567","5.534074074","316.4505009","-0.010022378","-0.01136684","1.701493498","-0.3724"
+"UMLCN0282","L","n-nonane","CCCCCCCCC","C9H20","Alkanes","","Marquardt (2015)","IQT","60.9","0.75","0.150888348","1.420164609","1.393411127","1.420164609","-4.03E-04","9.43E-198","0.232758839","0.112796116","9.972577948","355.1452031","-0.019035771","-0.011279905","2.559959688","-1.9134"
+"UMLCN0283","L","2-methylbutane","CCC(C)C","C5H12","Alkanes","","NREL (2014)","IQT","24.9","0.25","0","1.208888889","1.085756573","1.208888889","-7.39E-04","0","0.312468116","0","1.305555556","232.2739146","-0.002160584","-0.011816969","1.90821107","0.3362"
+"UMLCN0284","L","n-nonadecane","CCCCCCCCCCCCCCCCCCC","C19H40","Alkanes","","NREL (2014)","Unknown","110","0.888888889","0.132396671","1.461380425","1.447039901","1.461380425","-1.88E-04","10.9799589","0.180686532","0.09402091","24.90910684","639.9755412","-0.039942545","-0.010900776","3.711766719","-4.7934"
+"UMLCN0285","L","2-methylhexane","CCCCC(C)C","C7H16","Alkanes","","NREL (2014)","IQT","43.5","0.5","0.204124145","1.290816327","1.200772292","1.290816327","-5.22E-04","0","0.293460064","0","4.145185185","297.3479486","-0.006666306","-0.01147693","1.870415218","0.3038"
+"UMLCN0286","L","n-pentane","CCCCC","C5H12 ","Alkanes","","NREL (2014)","20% Blend, CFR","30","0.5","0","1.36","1.320475875","1.36","-7.39E-04","0","0.283685699","0","4.076388889","228.22306","-0.010659831","-0.011816969","2.547455517","-0.7614"
+"UMLCN0287","L","n-pentadecane","CCCCCCCCCCCCCCC","C15H32","Alkanes","","NREL (2014)","Unknown","96","0.857142857","0.135355339","1.451342593","1.433697564","1.451342593","-2.39E-04","7.475616812","0.195199769","0.09652427","18.92400416","514.1752085","-0.031579836","-0.010993746","3.264663626","-3.6414"
+"UMLCN0288","L","2-methylheptane","CCCCCC(C)C","C8H18","Alkanes","","NREL (2014)","IQT","49.8","0.571428571","0.144337567","1.316550926","1.235860156","1.316550926","-4.55E-04","0","0.281462171","0.144337567","5.604074074","301.1229321","-0.008748152","-0.01136684","2.269982693","0.0158"
+"UMLCN0289","L","3-methylpentane","CCC(C)CC","C6H14","Alkanes","","NREL (2014)","Unknown","30","0.4","0","1.256613757","1.160403025","1.256613757","-6.12E-04","0","0.305196025","0","2.659722222","262.582397","-0.005542894","-0.01162084","1.82932953","-0.34"
+"UMLCN0290","L","4-propyldecane","CCCCCCC(CCC)CCC","C13H28","Alkanes","","NREL (2014)","Unknown","39","0.75","0.126443733","1.386306002","1.349157335","1.386306002","-2.77E-04","6.77E-143","0.235680454","0.092399865","12.88355789","447.7437447","-0.022580755","-0.011060883","2.077394226","-1.1134"
+"UMLCN0291","L","n-undecane","CCCCCCCCCCC","C11H24","Alkanes","","NREL (2014)","20% Blend, CFR","81","0.8","0.142258898","1.43422865","1.411365182","1.43422865","-3.28E-04","3.56E-07","0.216997638","0.103033009","12.95023227","409.3101547","-0.023217126","-0.01115136","2.762949269","-2.4894"
+"UMLCN0292","L","n-tridecane","CCCCCCCCCCCCC","C13H28","Alkanes","","NREL (2014)","Unknown","90","0.833333333","0.137944174","1.444068752","1.424141285","1.444068752","-2.77E-04","4.122391234","0.204862159","0.09884882","15.93502336","469.2908161","-0.027398481","-0.011060883","3.015650374","-3.0654"
+"UMLCN0293","L","2,2,4-trimethylpentane","CC(C)CC(C)(C)C","C8H18","Alkanes","","NREL (2014)","IQT","18","0.285714286","0","1.03443287","0.78815335","1.03443287","-4.55E-04","0","0.290833201","0","1.326388889","290.4127846","0.015414224","-0.01136684","2.211324125","2.4503"
+"UMLCN0294","L","8-propylpentadecane","CCCCCCCC(CCC)CCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","48","0.823529412","0.119553078","1.417587178","1.389525928","1.417587178","-1.99E-04","0.886785074","0.208272756","0.083198718","20.34135551","568.0008353","-0.03299405","-0.01092025","2.379020211","-2.5534"
+"UMLCN0295","L","2,3-dimethylpentane","CCC(C)C(C)C","C7H16","Alkanes","","NREL (2014)","IQT","22","0.333333333","0","1.183248299","1.045180029","1.183248299","-5.22E-04","0","0.288748262","0","1.31712963","275.1905901","-7.18E-04","-0.01147693","1.740579868","0.4696"
+"UMLCN0296","L","n-dodecane","CCCCCCCCCCCC","C12H26","Alkanes","","NREL (2014)","IQT","72.9","0.818181818","0.139793342","1.439547721","1.418249548","1.439547721","-3.00E-04","1.999920535","0.210561978","0.100592232","14.44196781","438.9198618","-0.025307803","-0.011102504","2.88812121","-2.7774"
+"UMLCN0297","L","2,4-dimethylpentane","CC(C)CC(C)C","C7H16","Alkanes","","NREL (2014)","IQT","28.6","0.333333333","0","1.183248299","1.032756391","1.183248299","-5.22E-04","0","0.288748262","0","1.361111111","275.722501","0.001197502","-0.01147693","2.675787477","1.2082"
+"UMLCN0298","L","2,2,5-trimethylhexane","CC(C)CCC(C)(C)C","C9H20","Alkanes","","NREL (2014)","20% Blend, CFR","24","0.375","0.144337567","1.08600823","0.860007453","1.08600823","-4.03E-04","0","0.289841188","0","2.716435185","316.6286554","0.013966007","-0.011279905","2.05685312","2.4471"
+"UMLCN0299","L","9,10-dipropyloctadecane","CCCCCCCCC(CCC)C(CCC)CCCCCCCC","C24H50","Alkanes","","NREL (2014)","Unknown","47","0.826086957","0.109262101","1.406770833","1.380644491","1.406770833","-1.48E-04","3.432142298","0.200757737","0.076403943","26.20661924","719.375303","-0.042464142","-0.010827246","2.520666554","-3.4166"
+"UMLCN0300","L","n-octadecane","CCCCCCCCCCCCCCCCCC","C18H38","Alkanes","","NREL (2014)","Unknown","106","0.882352941","0.132965645","1.459280918","1.444234485","1.459280918","-1.99E-04","9.843830865","0.183851312","0.09449029","23.41219326","612.7143709","-0.037851868","-0.01092025","3.606918516","-4.5054"
+"UMLCN0301","L","n-hexadecane","CCCCCCCCCCCCCCCC","C16H34","Alkanes","","NREL (2014)","CFR","100","0.866666667","0.134413945","1.454312194","1.437626164","1.454312194","-2.24E-04","9.011139014","0.191061225","0.095710678","20.41955972","569.245626","-0.033670513","-0.010966278","3.383352357","-3.9294"
+"UMLCN0302","L","5,6-dibutyldecane","CCCCC(CCCC)C(CCCC)CCCC","C18H38","Alkanes","","NREL (2014)","Unknown","30","0.764705882","0.102375128","1.375893437","1.341388486","1.375893437","-1.99E-04","2.81E-140","0.223765138","0.076848048","17.25645534","551.0676509","-0.029872341","-0.01092025","3.043545748","-1.6886"
+"UMLCN0303","L","7-hexylpentadecane","CCCCCCCCC(CCCCCC)CCCCCC","C21H44","Alkanes","","NREL (2014)","Unknown","83","0.85","0.115563059","1.429258572","1.404664374","1.429258572","-1.70E-04","1.515216022","0.196695343","0.078610652","24.84299358","662.0099521","-0.039226169","-0.010867261","3.006605713","-3.4174"
+"UMLCN0304","L","2,9-dimethyl-5,6-diisopentyldecane","CC(C)CCC(CCC(C)C)C(CCC(C)C)CCC(C)C","C22H46","Alkanes","","NREL (2014)","Unknown","48","0.619047619","0.091362723","1.261917595","1.143728815","1.261917595","-1.62E-04","3.89E-125","0.232768297","0.065778059","11.53120181","580.0682818","-0.005291678","-0.010852737","3.206457353","3.7242"
+"UMLCN0305","L","9-heptylheptadecane","CCCCCCCCC(CCCCCCC)CCCCCCCC","C24H50","Alkanes","","NREL (2014)","Unknown","88","0.869565217","0.116793964","1.438032407","1.416305753","1.438032407","-1.48E-04","4.301446404","0.187406691","0.080470209","29.3395167","714.3409335","-0.045498012","-0.010827246","3.148175377","-4.2814"
+"UMLCN0306","L","methylcyclopentane","CC1CCCC1","C6H12","Naphthenes","","NREL (2014)","IQT","17.2","0","0.144337567","1.298611111","1.237401176","1.298611111","7.55E-17","0","0.320270882","0","5.946759259","238.7365307","-0.00588181","1.36E-15","1.888888889","0.0686"
+"UMLCN0307","L","1,3,5-triisopropyl cyclohexane","CC(C)C1CC(CC(C1)C(C)C)C(C)C","C15H30 ","Naphthenes","","NREL (2014)","IQT","25.3","0.2","0.078863645","1.173333333","1.032381996","1.173333333","7.64E-17","0","0.259585458","0.058830394","4.454027778","414.1863646","0.00347437","3.44E-15","3.161728131","0.9876"
+"UMLCN0308","L","2-methyl-3-cyclohexylnonane","CC(C(CCCCCC)C1CCCCC1)C","C16H32","Naphthenes","","NREL (2014)","Unknown","63","0.4375","0.095431913","1.331054688","1.283830591","1.331054688","7.59E-17","9.82E-288","0.24376896","0.064010766","14.80883719","464.4289724","-0.018825104","3.64E-15","1.900735279","-1.2372"
+"UMLCN0309","L","1,2,4-trimethyl-5-hexadecyl cyclohexane","C1(C(CC(CC1CCCCCCCCCCCCCCCC)C)C)C","C25H50","Naphthenes","","NREL (2014)","Unknown","42","0.6","0.097361732","1.3616","1.316228978","1.3616","-4.72E-16","7.229814136","0.212949365","0.068909207","25.12574697","766.1604899","-0.030961281","-3.54E-14","2.741592643","-3.5062"
+"UMLCN0310","L","4-methyl-1-cyclohexene","CC1CCC=CC1","C7H12","Cycloalkenes","","Kubic (2016)","Unknown","28","0","0.075087298","1.244047619","1.230891115","1.244047619","7.93E-17","0","0.514075352","0.068041382","4.011574074","231.0621435","-0.015546466","1.51E-15","0.671309869","1.1748"
+"UMLCN0311","L","1-heptyne","CCCCCC#C","C7H12","Alkynes","","NREL (2014)","IQT","22","0.5","0.098584392","1.272321429","0.991133321","1.272321429","-5.26E-04","0","0.469603457","0.072168784","4.701111111","163.0900885","-0.028549429","-0.009460122","1.17708042","0.0146"
+"UMLCN0312","L","4-vinyl-1-cyclohexene","C=CC1CCC=CC1","C8H12","Cycloalkenes","Olefins","Santana (2006)","Unknown","32","0.125","0.064295634","1.264467593","1.164891109","1.264467593","9.06E-17","0","0.560196149","0.03928371","3.764074074","183.5649932","-0.026354901","1.81E-15","0.4","1.4428"
+"UMLCN0313","L","2,4,4-trimethyl-1-pentene","CC(=C)CC(C)(C)C","C8H16","Olefins","","NREL (2014)","IQT","8.8","0.285714286","0","0.924107143","0.874871905","0.924107143","-4.58E-04","0","0.45421349","0","1.131944444","257.9525076","0.008393324","-0.010540444","1.942669272","3.1663"
+"UMLCN0314","L","2-octene","CCCCC/C=C/C","C8H16","Olefins","","NREL (2014)","20% Blend, CFR","43","0.571428571","0.11517401","1.334821429","1.386403607","1.334821429","-4.58E-04","0","0.436038132","0.083333333","5.340351474","264.2309478","-0.024462217","-0.010540444","1.015188666","0.3502"
+"UMLCN0315","L","2,6-dimethylheptane","CC(C)CCCC(C)C","C9H20","Olefins","","NREL (2014)","20% Blend, CFR","51","0.5","0.11785113","1.25308642","1.129349142","1.25308642","-4.03E-04","0","0.281712034","0.11785113","4.213981481","343.421532","-0.002631798","-0.011279905","2.501011207","1.369"
+"UMLCN0316","L","1-undecene","CCCCCCCCCC=C","C11H22","Olefins","","NREL (2014)","Unknown","65.5","0.8","0.125983473","1.418181818","1.288381384","1.418181818","-3.29E-04","0.078122673","0.36853398","0.089222853","11.01058067","350.8783639","-0.031273752","-0.010540444","1.476638059","-1.0016"
+"UMLCN0317","L","1-tetradecene","CCCCCCCCCCCCC=C","C14H28","Olefins","","NREL (2014)","Unknown","80.9","0.846153846","0.125655649","1.436126374","1.31914702","1.436126374","-2.57E-04","2.86311774","0.319708635","0.088909913","15.45368266","421.4446218","-0.037607581","-0.010540444","2.005686451","-1.8656"
+"UMLCN0318","L","2,6,7-trimethyl-2,6-tridecadiene","CCCCCC/C(=C(\C)/CCC=C(C)C)/C","C16H30","Olefins","","NREL (2014)","Unknown","24","0.533333333","0.080141843","1.155133929","1.384729879","1.155133929","-2.24E-04","3.11E-07","0.345132625","0.052773067","9.257015949","463.6414471","-0.017836904","-0.010087146","1.274547619","2.1965"
+"UMLCN0319","L","4-butyl-4-dodecene","CCCC(CCCC)=CCCCCCCC","C16H32 ","Olefins","","NREL (2014)","Unknown","45","0.733333333","0.098525997","1.346354167","1.373968739","1.346354167","-2.24E-04","0.592559986","0.302107144","0.068705772","15.05127964","528.8262221","-0.030096003","-0.010540444","1.382594333","-1.4975"
+"UMLCN0320","L","5-butyl-4-dodecene","CCCC=C(CCCC)CCCCCCC","C16H32 ","Olefins","","NREL (2014)","Unknown","45","0.733333333","0.096490681","1.346354167","1.373751045","1.346354167","-2.24E-04","8.50E-13","0.302107144","0.06800145","15.07205124","495.6976367","-0.030067486","-0.010540444","1.299261","-1.4975"
+"UMLCN0321","L","3,12-diethyl-3,11-tetradecadiene","CCC(=CCCCCCCC=C(CC)CC)CC","C18H34","Olefins","","NREL (2014)","Unknown","26","0.647058824","0.090029626","1.263888889","1.301303226","1.263888889","-1.99E-04","4.36E-04","0.333689138","0.06159991","13.08034852","486.5260842","-0.022389092","-0.010138941","2.2888375","1.1312"
+"UMLCN0322","L","1-octadecene","CCCCCCCCCCCCCCCCC=C","C18H36","Olefins","","NREL (2014)","Unknown","90","0.882352941","0.125453911","1.450571895","1.348965553","1.450571895","-1.99E-04","7.583065941","0.277513108","0.088736058","21.40894335","542.8045423","-0.046052687","-0.010540444","2.660330423","-3.0176"
+"UMLCN0323","L","9-methyl-9-heptadecene","CCCCCCCCC(C)=CCCCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","66","0.764705882","0.107636414","1.363970588","1.403356337","1.363970588","-1.99E-04","1.875501844","0.28698721","0.072292345","18.17167639","588.542368","-0.033799709","-0.010540444","1.759142934","-1.8332"
+"UMLCN0324","L","8-propyl-8-pentadecene","CCCCCCCC(CCC)=CCCCCCC","C18H36","Olefins","","NREL (2014)","Unknown","45","0.764705882","0.098626504","1.363970588","1.385768083","1.363970588","-1.99E-04","0.674565026","0.284814151","0.065557833","17.98661967","562.6692581","-0.034233831","-0.010540444","1.473774239","-2.0735"
+"UMLCN0325","L","10,13-dimethyl-11-doeicosene","CCCCCCCCCC(C)C=CC(C)CCCCCCCCC","C24H48","Olefins","","NREL (2014)","Unknown","56","0.782608696","0.106091578","1.382699275","1.303739181","1.382699275","-1.48E-04","3.611629172","0.252458386","0.071716861","22.75600044","765.2362399","-0.036351235","-0.010540444","2.531094874","-2.6836"
+"UMLCN0326","L","benzene","C1=CC=CC=C1","C6H6","Aromatics","","NREL (2014)","CFR","14.3","0","0.037037037","1.222222222","1.222222222","1.222222222","6.85E-17","0","0.278942946","0","0","67.71781505","-0.022884416","8.22E-16","2.584962501","1.4034"
+"UMLCN0327","L","toluene","CC1=CC=CC=C1","C7H8","Aromatics","","NREL (2014)","IQT","6","0","0.03794515","1.015625","1.097895847","1.015625","6.30E-17","0","0.522652473","0.032075015","0","117.9382353","-0.012880025","9.45E-16","0.900651667","1.8498"
+"UMLCN0328","L","ethyl benzene","CCC1=CC=CC=C1","C8H10","Aromatics","","NREL (2014)","IQT","6.3","0.125","0.040710027","1.08375","1.092800598","1.08375","8.46E-17","0","0.535977247","0.030982085","1.139722222","158.6723547","-0.01550177","1.52E-15","0.59749375","1.5147"
+"UMLCN0329","L","1,4-dimethylbenzene","CC1=CC=C(C=C1)C","C8H10","Aromatics","","NREL (2014)","IQT","6.2","0","0.043815285","0.8925","0.993093135","0.8925","8.46E-17","0","0.526906293","0.027777778","0","152.4247414","-0.002835092","1.52E-15","1.750543056","2.2962"
+"UMLCN0330","L","1,3,5-trimethylbenzene","CC1=CC(=CC(=C1)C)C","C9H12","Aromatics","","NREL (2014)","80% Blend, IQT","8","0","0.032861464","0.810185185","0.909607297","0.810185185","8.88E-17","0","0.484501705","0.029926396","0","165.9459598","0.005962364","1.86E-15","2.264232144","2.7426"
+"UMLCN0331","L","n-propylbenzene","CCCC1=CC=CC=C1","C9H12","Aromatics","","NREL (2014)","80% Blend, IQT","16","0.222222222","0.044492435","1.134259259","1.135884545","1.134259259","8.94E-17","0","0.535219151","0.03285692","2.449259259","187.8823923","-0.019610677","1.88E-15","0.607375595","1.0335"
+"UMLCN0332","L","1,2,4,5-tetramethylbenzene","CC1=CC(=C(C=C1C)C)C","C10H14","Aromatics","","NREL (2014)","20% Blend, CFR","1","0","0.040259965","0.751020408","0.836871806","0.751020408","9.28E-17","0","0.427298569","0.023883545","0","222.1229379","0.012874355","2.23E-15","2.459147917","3.189"
+"UMLCN0333","L","naphthalene","C1=CC=C2C=CC=CC2=C1","C10H8O","Aromatics","","NREL (2014)","5%–7% Blend, CFR","22","0","0.029100005","1.02","1.042678671","1.02","2.47E-04","0","0.33385426","0.016864511","0","66.81388721","-0.020886301","0.004684642","1.444444444","1.9478"
+"UMLCN0334","L","2-methylnaphthalene","CC1=CC2=CC=CC=C2C=C1","C11H10","Aromatics","","NREL (2014)","20% Blend, CFR","6","0","0.029769204","0.901515152","0.970267269","0.901515152","2.44E-04","0","0.500666494","0.017829017","0","114.0747963","-0.011172708","0.005377778","0.797851786","2.3942"
+"UMLCN0335","L","n-pentylbenzene","CCCCCC1=CC=CC=C1","C11H16","Aromatics","","NREL (2014)","Blend","18","0.363636364","0.050295417","1.204900568","1.178877028","1.204900568","5.57E-17","0","0.485691643","0.039662876","5.246945625","208.426543","-0.023784825","1.50E-15","0.800357055","0.4575"
+"UMLCN0336","L","biphenyl","C1=CC=C(C=C1)C2=CC=CC=C2","C12H10","Aromatics","","NREL (2014)","5%–7% Blend, CFR","12","0.076923077","0.029619451","1.069444444","1.092909364","1.069444444","2.13E-04","0","0.302412507","0.016037507","0","77.97010815","-0.028534076","0.0049","1.363636364","2.4156"
+"UMLCN0337","L","m-diisopropylbenzene","CC(C)C1=CC(=CC=C1)C(C)C","C12H18","Aromatics","","NREL (2014)","CFR","-3","0.166666667","0.040222735","0.969650206","0.865397711","0.969650206","9.10E-17","0","0.447695254","0.029109403","0","298.0548724","0.003015977","2.73E-15","1.900651667","2.158"
+"UMLCN0338","L","n-octylbenzene","CCCCCCCCC1=CC=CC=C1","C14H22","Aromatics","","NREL (2014)","Unknown","37.5","0.5","0.063588683","1.270661157","1.229339208","1.270661157","6.06E-17","0.006930021","0.418560638","0.048480124","9.602750406","277.9880147","-0.030097415","2.18E-15","1.010125777","-0.4065"
+"UMLCN0339","L","1,3,5-triisopropylbenzene","CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C","C15H24","Aromatics","","NREL (2014)","Blend, IQT","2.8","0.2","0.040093769","0.943402778","0.777697035","0.943402778","8.39E-17","0","0.385011553","0.030031073","0","389.6929048","0.015555739","3.27E-15","2.93186827","2.5353"
+"UMLCN0340","L","4-methyl-4-(2-naphthyl)heptane","C(C(CCC)(C)C1=CC=C2C(=C1)C=CC=C2)CC","C18H24","Aromatics","","NREL (2014)","Unknown","9","0.263157895","0.035894199","0.996527778","0.969997963","0.996527778","1.80E-04","5.43E-296","0.454494082","0.020379364","5.060529888","289.5539517","-0.012029595","0.007744","1.149158631","1.6758"
+"UMLCN0341","L","2-methyl-4-isobutyl-4-phenylundecane","CC(CC(CCCCCCCC)(CC(C)C)C1=CC=CC=C1)C","C22H38 ","Aromatics","","NREL (2014)","Unknown","18","0.52173913","0.061390924","1.185244565","1.122026456","1.185244565","-2.38E-16","1.936252768","0.34969849","0.044024263","12.3872624","532.2416242","-0.023584","-1.50E-14","1.828210665","1.0119"
+"UMLCN0342","L","5-butyl-5-phenyltetradecane","C1(=CC=CC=C1)C(CCCC)(CCCC)CCCCCCCCC","C24H42","Aromatics","","NREL (2014)","Unknown","58","0.625","0.067279664","1.266652494","1.22544289","1.266652494","-3.14E-16","1.271702982","0.313095271","0.046353752","19.44720149","594.2405298","-0.040610891","-2.07E-14","2.026102643","-1.9889"
+"UMLCN0343","L","1,2,4-trimethyl-5-hexadecyl benzene","C1(=C(C=C(C=C1C)C)CCCCCCCCCCCCCCCC)C","C25H44","Aromatics","","NREL (2014)","Unknown","42","0.6","0.070363142","1.227933884","1.25758266","1.227933884","-3.90E-16","10.82364458","0.296456705","0.049777553","21.43866791","659.1056151","-0.021942713","-2.69E-14","2.160402208","-1.3713"
+"UMLCN0344","L","5-phenyleicosane","CCCCCCCCCCCCCCCC(CCCC)C1=CC=CC=C1","C26H46","Aromatics","","NREL (2014)","Unknown","39","0.692307692","0.07758056","1.347317144","1.302876784","1.347317144","-4.13E-16","8.822867773","0.292342872","0.056060977","24.29493257","647.0921648","-0.052835818","-2.97E-14","2.356358928","-2.8045"
+"UMLCN0345","L","tert-butanol","CC(C)(C)O","C4H10O","Alcohols","","NREL (2014)","Blend, IQT","5.6","0","0","0.738816234","0.543511025","0.733292453","-0.007382154","0","0.43204258","0","0","185.2058781","0.078127426","-0.103350151","3.204251866","0.5733"
+"UMLCN0346","L","dimethoxymethane","COCOC","C3H8O2","Ethers","","NREL (2014)","Blend","49","0.5","0","1.328616724","1.755021602","1.866857724","-0.006966533","0","0.41794859","0","0.388888889","214.1791182","-0.07507051","-0.083598391","1.939247286","-0.0981"
+"UMLCN0347","L","diethyl ether","CCOCC","C4H10O","Ethers","","NREL (2014)","Other Ignition Delay Method","160","0.5","0","1.257253085","1.715067307","1.730722033","0.002605846","0","0.364895091","0","1.6875","243.4045201","-0.044275578","0.036481849","2.094444373","0.5513"
+"UMLCN0348","L","2-butoxyethanol","CCCCOCCO","C6H14O2","Ethers","Alcohols","NREL (2014)","Blend appx. 20% (Method?)","41","0.714285714","0.073291468","1.305119712","1.291490999","1.352049011","-0.00533359","0","0.440811291","0.052221822","3.672820295","226.3613391","-0.141163032","-0.112005388","0.886807955","-1.1043"
+"UMLCN0349","L","2-ethylhexyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","116","0.851851852","0.094774118","1.297196993","1.027474065","0.742761208","8.14E-04","12.36729568","0.244913162","0.064517879","26.40219139","787.7764636","0.004659345","0.06428844","2.531782419","-5.1253"
+"UMLCN0350","L","7,8-diethyltetradecane","CCCCCCC(CC)C(CC)CCCCCC","C18H38","Alkanes","","BioCompoundML (2016)","Unknown","67","0.764705882","0.11312106","1.375893437","1.339317801","1.375893437","-1.99E-04","0.304109014","0.223765138","0.074416065","17.23613348","509.5124959","-0.029426932","-0.01092025","2.254264839","-2.7758"
+"UMLCN0351","L","butyl laurate","CCCCCCCCCCCC(=O)OCCCC","C16H32O2","Esters","","NREL (2014)","Blend","73","0.823529412","0.089067985","1.233541609","0.973950509","0.713019746","0.001074288","2.234589485","0.291074255","0.061689936","14.90129115","480.2922727","0.0305162","0.052640102","1.614581119","-3.1101"
+"UMLCN0352","L","butyl octanoate","CCCCCCCC(=O)OCCCC","C12H24O2","Esters","","BioCompoundML (2016)","Unknown","39.6","0.769230769","0.074695179","1.164898456","0.952736274","0.706102887","0.001147958","0.636143953","0.339636135","0.049823975","9.217580838","409.1658623","0.03900161","0.04247446","1.177760197","-1.9581"
+"UMLCN0353","L","butyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC","C22H42O2","Esters","Olefins","NREL (2014)","Blend","102","0.826086957","0.08713713","1.276326462","1.020989791","0.738803124","9.08E-04","5.506819372","0.318833581","0.059109654","20.00222105","645.661333","0.011964612","0.059032129","1.481430871","-2.7071"
+"UMLCN0354","L","cyclopentane","C1CCCC1","C5H10","Naphthenes","","BioCompoundML (2016)","Unknown","6.1","0","0","1.4","1.4","1.4","7.53E-17","0","0.235045188","0","7.5","206.2726212","-0.010453387","1.13E-15","2.988594762","-1.44"
+"UMLCN0355","L","decanoic acid","CCCCCCCCCC(=O)O","C10H20O2","Acids","","BioCompoundML (2016)","Unknown","48","0.727272727","0.106728254","1.12002092","0.498818747","0.322586995","-0.003404073","2.26E-18","0.37273683","0.073314926","8.642477534","260.8365387","0.114300042","-0.10552625","1.460282999","-2.1697"
+"UMLCN0356","L","decyl acetate","CCCCCCCCCCOC(=O)C","C12H24O2","Esters","","BioCompoundML (2016)","Unknown","62","0.769230769","0.100178676","1.164898456","0.903903399","0.706102887","0.001147958","2.30E-59","0.327859478","0.068643105","10.85104881","380.9368524","0.069472061","0.04247446","1.450510934","-2.3223"
+"UMLCN0357","L","decyl caprate","CCCCCCCCCCOC(=O)CCCCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","81","0.857142857","0.095819973","1.278777235","0.995708335","0.72549281","9.62E-04","4.270706128","0.259182046","0.063464521","20.31021961","638.1123231","0.02247196","0.058709544","2.206240522","-4.2621"
+"UMLCN0358","L","decyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","84","0.869565217","0.098737976","1.296074675","1.006765178","0.732656799","9.09E-04","6.214889774","0.24700142","0.066088081","23.18607361","686.7600326","0.018229123","0.060910173","2.432313918","-4.8381"
+"UMLCN0359","L","decyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C24H48O2","Esters","","BioCompoundML (2016)","Unknown","72","0.88","0.101125433","1.310858978","1.017564446","0.740144199","8.59E-04","6.924668077","0.236585055","0.068211916","26.09600197","738.8088598","0.013986286","0.062741201","2.65524373","-5.4141"
+"UMLCN0360","L","decyl oleate","CCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC","C28H54O2","Esters","Olefins","BioCompoundML (2016)","Unknown","134","0.862068966","0.095021167","1.318862594","1.04735463","0.758974234","7.74E-04","11.27324387","0.27761429","0.063071512","28.26994301","815.5548103","-3.22E-04","0.064274093","2.065973808","-4.4351"
+"UMLCN0361","L","decyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","91","0.888888889","0.10311498","1.323641629","1.028058526","0.747824258","8.14E-04","9.264806383","0.227566485","0.069966389","29.02761138","790.6908634","0.009743449","0.06428844","2.86837267","-5.9901"
+"UMLCN0362","L","decyl valerate","CCCCCCCCCCOC(=O)CCCC","C15H30O2","Esters","","BioCompoundML (2016)","Unknown","61","0.8125","0.086682306","1.219173087","0.968378116","0.710553792","0.001100253","0.078703773","0.301225647","0.059763456","13.51623331","431.1759586","0.032662761","0.050611629","1.54797633","-2.8221"
+"UMLCN0363","L","dibutyl adipate","CCCCOC(=O)CCCCC(=O)OCCCC","C14H26O4","Esters","","NREL (2014)","Blend","81","0.764705882","0.051738233","1.052026151","0.924446048","0.718317572","3.55E-04","6.433543194","0.376719967","0.034254004","7.056663307","417.2952405","0.101355115","0.015281975","1.670676705","-1.7148"
+"UMLCN0364","L","dibutyl azelate","CCCCOC(=O)CCCCCCCC(=O)OCCCC","C17H32O4","Esters","","BioCompoundML (2016)","Unknown","83","0.8","0.063352788","1.106586233","0.93018188","0.707831344","8.42E-04","2.210053663","0.339450993","0.04324823","10.98890738","514.9271618","0.093061647","0.043808399","1.613391981","-2.5788"
+"UMLCN0365","L","dibutyl malonate","CCCCOC(=O)CC(=O)OCCCC","C11H20O4","Esters","","NREL (2014)","CFR","21","0.714285714","0.038402277","0.979808976","0.925642436","0.740925144","-8.50E-04","0.173449614","0.418250289","0.025970512","4.095508685","325.5568326","0.120199899","-0.028889652","1.585993572","-1.1736"
+"UMLCN0366","L","dibutyl phthalate","CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC","C16H22O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","38","0.5","0.025522692","0.937754475","0.929417911","0.744736295","-2.51E-04","1.90E-197","0.509625757","0.015274747","4.272598265","324.6921665","0.047021057","-0.010550095","1.5121375","-0.1962"
+"UMLCN0367","L","dibutyl succinate","CCCCOC(=O)CCC(=O)OCCCC","C12H22O4","Esters","","Jenkins (2013)","CFR","21","0.733333333","0.040206385","1.006350428","0.881049856","0.731408775","-3.16E-04","1.681350936","0.407748681","0.028592752","4.84903597","367.1866823","0.151893039","-0.011701861","1.671309869","-1.1388"
+"UMLCN0368","L","diethyl adipate","CCOC(=O)CCCCC(=O)OCC","C10H18O4","Esters","","BioCompoundML (2016)","Unknown","15","0.692307692","0.057002643","0.95022397","0.91358282","0.753331084","-0.001597654","2.59E-73","0.443383437","0.034536616","2.94762367","309.3830137","0.130228968","-0.049527266","1.672180469","0.0168"
+"UMLCN0369","L","diethyl azelate","CCOC(=O)CCCCCCCC(=O)OCC","C13H24O4","Esters","","BioCompoundML (2016)","Unknown","47","0.75","0.073108373","1.030301072","0.911514519","0.724042555","7.08E-05","0.718713452","0.391564398","0.048359706","6.756695033","368.5107899","0.12193552","0.002832295","1.59779939","-0.8472"
+"UMLCN0370","L","diethyl butanedioate","CCOC(=O)CCC(=O)OCC","C8H14O4","Esters","","NREL (2014)","CFR","21","0.636363636","0.037479961","0.879476476","0.878080118","0.791929525","-0.004252627","0","0.465655811","0.021849058","0.905420761","236.6053528","0.180756892","-0.106315669","1.673452885","0.5928"
+"UMLCN0371","L","diethyl oxalate","CCOC(=O)C(=O)OCC","C6H10O4","Esters","","BioCompoundML (2016)","Unknown","21","0.555555556","0.027736893","0.787034955","1.256962656","0.867952589","-0.010573408","0","0.5","0.020833333","0.384221466","143.2770126","-0.243246763","-0.20089476","1.67548875","0.5232"
+"UMLCN0372","L","diethyl sebacate","CCOC(=O)CCCCCCCCC(=O)OCC","C14H26O4","Esters","","BioCompoundML (2016)","Unknown","47","0.764705882","0.077100037","1.052026151","0.911989527","0.718317572","3.55E-04","0.255346714","0.376719967","0.051695427","8.112142235","434.7623075","0.119813608","0.015281975","1.670676705","-1.1352"
+"UMLCN0373","L","dihexyl azelate","CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC","C21H40O4","Esters","","BioCompoundML (2016)","Unknown","99","0.833333333","0.072543893","1.161523753","0.938478674","0.703024652","0.001079935","3.148178932","0.302643722","0.043074956","16.1333985","641.5994991","0.085430023","0.069115819","2.018758168","-3.7308"
+"UMLCN0374","L","dihexyl phthalate","CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC","C20H30O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","48","0.583333333","0.033939947","1.020127595","0.926735163","0.721129219","6.15E-04","5.16E-04","0.439409086","0.018353977","9.125901949","450.9511799","0.039394267","0.033226074","1.800357055","-1.3482"
+"UMLCN0375","L","dimethyl adipate","COC(=O)CCCCC(=O)OC","C8H14O4","Esters","","BioCompoundML (2016)","Unknown","5","0.636363636","0.058708816","0.928118027","0.990654349","0.83673946","-0.004252627","1.69E-84","0.465655811","0.034020691","2.073943689","297.109343","0.078901678","-0.106315669","1.673452885","-0.484"
+"UMLCN0376","L","dimethyl azelate","COC(=O)CCCCCCCC(=O)OC","C11H20O4","Esters","","BioCompoundML (2016)","Unknown","24","0.714285714","0.077523841","1.016982308","0.974671248","0.781675866","-8.50E-04","6.01E-06","0.398143661","0.051087554","5.789020062","364.2858632","0.070608776","-0.028889652","1.585993572","-1.348"
+"UMLCN0377","L","dimethyl malonate","COC(=O)CC(=O)OC","C5H8O4","Esters","","BioCompoundML (2016)","Unknown","15","0.5","0.029462783","0.803014514","1.053218053","0.992799361","-0.017269204","0","0.539481332","0.029462783","-0.3125","125.9245074","0.096843011","-0.276307266","1.500575","0.0572"
+"UMLCN0378","L","dimethyl phthalate","COC(=O)C1=CC=CC=C1C(=O)OC","C10H10O4","Aromatics","Esters","BioCompoundML (2016)","Unknown","19","0.285714286","0.022736007","0.795608037","1.027968083","0.925646272","-0.006595611","0","0.622772496","0.012758563","0","144.7565473","0.024210671","-0.158294667","1.396240625","1.0346"
+"UMLCN0379","L","dioctyl adipate","CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC","C22H42O4","Esters","","BioCompoundML (2016)","Unknown","89","0.84","0.075290824","1.172939435","0.939359445","0.702810329","0.001104455","7.078774632","0.295127233","0.046973247","17.55476537","660.4351715","0.085266542","0.073998502","2.187191999","-4.0188"
+"UMLCN0380","L","dioctyl sebacate","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Esters","","BioCompoundML (2016)","Unknown","70","0.862068966","0.082257987","1.211813354","0.952504837","0.704393922","0.001136176","3.070982908","0.26989944","0.05297937","23.01984977","769.1439803","0.074851162","0.089757877","2.346857575","-5.1708"
+"UMLCN0381","L","dipentyl ether","CCCCCOCCCCC","C10H22O","Ethers","","NREL (2014)","IQT","111","0.8","0.082133213","1.376450617","1.637150474","1.575490694","0.001955932","0.006789223","0.293441466","0.059486135","9.623565602","390.3067262","-0.078127169","0.062589826","2.036947908","-1.7563"
+"UMLCN0382","L","dodecyl acetate","CCCCCCCCCCCCOC(=O)C","C14H28O2","Esters","","BioCompoundML (2016)","Unknown","77","0.8","0.104691644","1.203158035","0.916050565","0.70849547","0.001123032","0.389022985","0.3013541","0.072592154","13.74476774","453.8902953","0.065229224","0.04829038","1.821340125","-2.8983"
+"UMLCN0383","L","dodecyl laurate","CCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C24H48O2","Esters","","BioCompoundML (2016)","Unknown","85","0.88","0.101125433","1.310858978","1.017564446","0.740144199","8.59E-04","6.2641516","0.236585055","0.068211916","26.08718527","765.6191051","0.013986286","0.062741201","2.65524373","-5.4141"
+"UMLCN0384","L","dodecyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC","C26H52O2","Esters","","BioCompoundML (2016)","Unknown","74","0.888888889","0.10311498","1.323641629","1.028058526","0.747824258","8.14E-04","9.450276635","0.227566485","0.069966389","28.99766081","810.1290835","0.00974345","0.06428844","2.86837267","-5.9901"
+"UMLCN0385","L","dodecyl valerate","CCCCCCCCCCCCOC(=O)CCCC","C17H34O2","Esters","","BioCompoundML (2016)","Unknown","67","0.833333333","0.091791332","1.246506235","0.9795247","0.715806403","0.001046688","2.92690352","0.281924232","0.064167285","16.41360498","513.9587985","0.028419924","0.054427796","1.844800708","-3.3981"
+"UMLCN0386","L","ethyl laurate","CCCCCCCCCCCC(=O)OCC","C14H28O2","Esters","","BioCompoundML (2016)","Unknown","73","0.8","0.101402449","1.203158035","0.950597713","0.70849547","0.001123032","1.803909181","0.312552218","0.07003376","12.69964185","444.2840413","0.044953136","0.04829038","1.570308726","-2.2443"
+"UMLCN0387","L","ethyl levulinate","CCOC(=O)CCC(=O)C","C7H12O3","Esters","Ketones","NREL (2014)","IQT","6","0.555555556","0.041996986","0.828020998","0.804647","0.704218133","-0.001797162","0","0.520734377","0.028966725","0.887643613","192.6870329","0.112851011","-0.037740397","0.704989773","0.0773"
+"UMLCN0388","L","ethyl linoleate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC","C20H36O2","Esters","Olefins","BioCompoundML (2016)","Unknown","44.4","0.761904762","0.081798652","1.236547975","1.021894485","0.742169721","9.51E-04","5.789162897","0.391473028","0.053532972","14.40554208","580.9354677","0.020345839","0.054231096","1.075250482","-0.4471"
+"UMLCN0389","L","ethyl linolenate","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC","C20H34O2","Esters","Olefins","BioCompoundML (2016)","Unknown","27","0.714285714","0.07496607","1.216593736","1.04296477","0.753118407","9.40E-04","3.797016682","0.428095867","0.049116357","11.27519939","512.9262945","0.01614869","0.051723138","0.848388839","0.4035"
+"UMLCN0390","L","glycerol triacetate","CC(=O)OCC(COC(=O)C)OC(=O)C","C9H14O6","Esters","","BioCompoundML (2016)","Unknown","5","0.571428571","0.027483449","0.74905215","0.960836919","0.846712369","-0.011503826","0","0.472446376","0.013507821","-0.245648148","249.6527389","0.20584291","-0.32210713","1.604459483","-0.2708"
+"UMLCN0391","L","hexadecyl acetate","CCCCCCCCCCCCCCCCOC(=O)C","C18H36O2","Esters","","BioCompoundML (2016)","Unknown","86","0.842105263","0.110107205","1.258263929","0.941500001","0.718847005","0.001018456","7.000490487","0.263802195","0.077105352","19.60414024","582.4504844","0.05674355","0.056015102","2.492106739","-4.0503"
+"UMLCN0392","L","hexadecyl laurate","CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC","C28H56O2","Esters","","BioCompoundML (2016)","Unknown","88","0.896551724","0.104798443","1.334803909","1.038223026","0.755606805","7.72E-04","14.81032214","0.219674373","0.071440145","31.95572855","899.8991036","0.005500613","0.065613067","3.0696456","-6.5661"
+"UMLCN0393","L","hexyl decanoate ","CCCCCCCCCC(=O)OCCCCCC","C16H32O2","Esters","","BioCompoundML (2016)","Unknown","64","0.823529412","0.087482823","1.233541609","0.973255345","0.713019746","0.001074288","1.189231995","0.291074255","0.05460535","14.66346221","507.431248","0.030943224","0.052640102","1.726773929","-3.1101"
+"UMLCN0394","L","hexyl laurate","CCCCCCCCCCCC(=O)OCCCCCC","C18H36O2","Esters","","BioCompoundML (2016)","Unknown","74","0.842105263","0.09217247","1.258263929","0.984503303","0.718847005","0.001018456","2.60659174","0.273633486","0.05910975","17.53710327","542.1715687","0.026700387","0.056015102","1.942912319","-3.6861"
+"UMLCN0395","L","hexyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","72","0.857142857","0.095819973","1.278777235","0.995731077","0.72549281","9.62E-04","5.979042878","0.259182046","0.062554291","20.44538803","654.8627879","0.022457551","0.058709544","2.189379529","-4.2621"
+"UMLCN0396","L","hexyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC","C24H46O2","Esters","Olefins","BioCompoundML (2016)","Unknown","102","0.84","0.08957047","1.292568888","1.02942866","0.745166817","8.60E-04","7.433701686","0.303131189","0.057512405","22.63091473","719.7786541","0.0081488","0.061081972","1.747895437","-3.2831"
+"UMLCN0397","L","hexyl palmitate","CCCCCCCCCCCCCCCC(=O)OCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","87","0.869565217","0.098737976","1.296074675","1.006787279","0.732656799","9.09E-04","8.188097103","0.24700142","0.065273665","23.37574303","680.9520786","0.018214714","0.060910173","2.434397881","-4.8381"
+"UMLCN0398","L","isobutyl stearate","CCCCCCCCCCCCCCCCCC(=O)OCC(C)C","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","99","0.826086957","0.096229397","1.265254875","1.000824571","0.727412385","9.09E-04","11.87746494","0.266638264","0.07180182","21.51240615","677.4880309","0.018109849","0.060910173","2.507516524","-3.7405"
+"UMLCN0399","L","isopropyl decanoate","CCCCCCCCCC(=O)OC(C)C","C13H26O2","Esters","","BioCompoundML (2016)","Unknown","46.6","0.714285714","0.090174491","1.118061252","0.880077983","0.666900978","0.001140207","0.420427505","0.332522762","0.061026844","9.283351515","414.4986749","0.084438836","0.045608281","1.399611658","-1.9688"
+"UMLCN0400","L","linoleic acid","CCCCC/C=C\C/C=C\CCCCCCCC(=O)O","C18H32O2","Acids","Olefins","BioCompoundML (2016)","Unknown","31","0.736842105","0.084816529","1.215229251","0.630074596","0.375104331","-0.001746534","4.559990794","0.415912636","0.055204014","13.20308447","464.5728066","0.085449908","-0.089073254","1.160856307","-0.9485"
+"UMLCN0401","L","methyl 4(Z),7(Z),10(Z),13(Z),16(Z),19(Z)-docosahexaenoate","CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC","C23H34O2","Esters","Olefins","NREL (2014)","IQT","24.4","0.625","0.064105443","1.213283728","1.037136249","0.82639392","8.50E-04","1.459938842","0.42712169","0.040748401","10.70516416","443.9569965","-0.015017693","0.049273151","1.286276532","1.0022"
+"UMLCN0402","L","methyl arachidate","CCCCCCCCCCCCCCCCCCCC(=O)OC","C21H42O2","Esters","","BioCompoundML (2016)","Unknown","100","0.863636364","0.114688661","1.299431857","1.03570222","0.760239248","9.35E-04","8.818687752","0.243936019","0.080668235","23.88934032","648.9518895","0.002318416","0.059862707","2.963533976","-4.7987"
+"UMLCN0403","L","methyl butanoate","CCCC(=O)OC","C5H10O2","Esters","","BioCompoundML (2016)","Unknown","6.4","0.5","0.102062073","0.924401966","1.00375449","0.80377128","-9.38E-04","0","0.521934406","0","1.405925926","173.9206473","0.034969424","-0.015005232","0.794692647","-0.1907"
+"UMLCN0404","L","methyl erucate","CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC","C23H44O2","Esters","Olefins","BioCompoundML (2016)","Unknown","74.2","0.833333333","0.103009336","1.295827474","1.057788115","0.773235536","8.84E-04","8.272003903","0.302861653","0.070469519","23.08893428","719.0981393","-0.007747792","0.060103407","1.951986187","-3.2437"
+"UMLCN0405","L","methyl gamma-linolenate","CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC","C19H32O2","Esters","Olefins","BioCompoundML (2016)","Unknown","29.2","0.7","0.071120693","1.218602227","1.087849054","0.787709735","9.59E-04","1.529983014","0.434759758","0.044687843","10.7482315","479.3956998","-0.010676526","0.049867335","1.101217509","0.6967"
+"UMLCN0406","L","methyl gondoate","CCCCCCCCC=CCCCCCCCCCC(=O)OC","C21H40O2","Esters","Olefins","BioCompoundML (2016)","Unknown","73.2","0.818181818","0.100565928","1.27927899","1.049828843","0.767807141","9.33E-04","0.993412878","0.319428584","0.068361422","20.16752476","664.5922431","-0.003504955","0.057854331","1.743626531","-2.6677"
+"UMLCN0407","L","methyl petroselinate","CCCCCCCCCCC/C=C\CCCCC(=O)OC","C19H36O2","Esters","Olefins","BioCompoundML (2016)","Unknown","58.6","0.8","0.097931567","1.259804326","1.041296922","0.76320978","9.84E-04","5.120566682","0.338950147","0.066464885","17.44484551","604.7470301","0.001294004","0.055108767","1.514713972","-2.0917"
+"UMLCN0408","L","methyl ricinoleate","CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O","C19H36O3","Esters","Olefins","NREL (2014)","IQT","37.4","0.761904762","0.086516063","1.211525614","0.911128216","0.774805918","-9.46E-04","4.50928809","0.386515786","0.05681101","13.93428281","609.3717981","6.73E-04","-0.053900799","1.122748543","-2.3144"
+"UMLCN0409","L","methyl-5(Z)8(z)11(Z)14(Z)-eicosatetraenoate","CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC","C21H34O2","Esters","Olefins","BioCompoundML (2016)","Unknown","29.6","0.681818182","0.066071803","1.223434083","1.110528831","0.800364219","9.09E-04","3.476527418","0.43538203","0.040861671","10.47571616","560.0663831","-0.018990006","0.05088","1.225864965","1.5149"
+"UMLCN0410","L","methyl-9-decenoate","COC(=O)CCCCCCCC=C","C11H20O2","Esters","Olefins","BioCompoundML (2016)","Unknown","38.3","0.75","0.089592919","1.159038377","1.013263635","0.769999265","0.001041001","0.022944447","0.472253067","0.059775105","7.446147408","365.8057559","0.01562913","0.033312029","0.894235606","-0.4309"
+"UMLCN0411","L","octadecyl acetate","CCCCCCCCCCCCCCCCCCOC(=O)C","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","90","0.857142857","0.111859299","1.278777235","0.954123237","0.72549281","9.62E-04","9.003169827","0.249981051","0.078515726","22.55517709","644.6250247","0.052500713","0.058709544","2.780287039","-4.6263"
+"UMLCN0412","L","octyl laurate","CCCCCCCCCCCC(=O)OCCCCCCCC","C20H40O2","Esters","","BioCompoundML (2016)","Unknown","84","0.857142857","0.095819973","1.278777235","0.99570841","0.72549281","9.62E-04","3.027775742","0.259182046","0.063464521","20.32536011","606.1589061","0.022471913","0.058709544","2.206240522","-4.2621"
+"UMLCN0413","L","octyl myristate","CCCCCCCCCCCCCC(=O)OCCCCCCCC","C22H44O2","Esters","","BioCompoundML (2016)","Unknown","71","0.869565217","0.098737976","1.296074675","1.006765251","0.732656799","9.09E-04","6.248418118","0.24700142","0.066088081","23.23458125","698.4569184","0.018229076","0.060910173","2.432313918","-4.8381"
+"UMLCN0414","L","octyl oleate","CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC","C26H50O2","Esters","Olefins","NREL (2014)","Blend","131","0.851851852","0.092522931","1.306607231","1.03844061","0.751938232","8.16E-04","8.16400219","0.289521927","0.060870048","25.41365083","775.3915608","0.003920326","0.06280522","1.941770665","-3.8591"
+"UMLCN0415","L","octyl valerate","CCCCCCCCOC(=O)CCCC","C13H26O2","Esters","","BioCompoundML (2016)","Unknown","49","0.785714286","0.079715452","1.185193938","0.957689001","0.706959948","0.001140207","7.22E-07","0.325267774","0.053402369","10.66073261","383.5825643","0.036905551","0.045608281","1.335485061","-2.2461"
+"UMLCN0416","L","pentyl pentanoate","CCCCCOC(=O)CCCC","C10H20O2","Esters","","BioCompoundML (2016)","Unknown","28.2","0.727272727","0.059998321","1.115199234","0.944381833","0.707376841","0.001106637","0","0.374698735","0.038524764","6.539302564","330.6907186","0.043150041","0.03430575","1.3125","-1.3821"
+"UMLCN0417","L","Perhydro-phenanthrene","C1CCC2C(C1)CCC3C2CCCC3","C14H24","Naphthenes","","BioCompoundML (2016)","Unknown","38.8","0","0.0746913","1.295209751","1.286010069","1.295209751","4.73E-04","0","0.241513207","0.049571979","15.68351852","400.7621429","-0.014871884","0.018920244","2.052631579","-0.8428"
+"UMLCN0418","L","propyl laurate","CCCCCCCCCCCC(=O)OCCC","C15H30O2","Esters","","BioCompoundML (2016)","Unknown","71","0.8125","0.092932664","1.219173087","0.966691369","0.710553792","0.001100253","2.101288763","0.301225647","0.066947454","13.70700296","454.9838886","0.033824375","0.050611629","1.512629445","-2.8221"
+"UMLCN0419","L","propyl myristate","CCCCCCCCCCCCCC(=O)OCCC","C17H34O2","Esters","","BioCompoundML (2016)","Unknown","71","0.833333333","0.097208309","1.246506235","0.977904105","0.715806403","0.001046688","5.684681938","0.281924232","0.070246053","16.61319134","543.9638145","0.029581538","0.054427796","1.849660846","-3.3981"
+"UMLCN0420","L","tetradecyl acetate","CCCCCCCCCCCCCCOC(=O)C","C16H32O2","Esters","","BioCompoundML (2016)","Unknown","81","0.823529412","0.107816006","1.233541609","0.928729987","0.713019746","0.001074288","3.834872786","0.280564411","0.075224853","16.66552449","511.7498744","0.060986387","0.052640102","2.17258381","-3.4743"
+"UMLCN0421","L","triethyleneglycol dimethyl ether","COCCOCCOCCOC","C8H18O4","Ethers","","BioCompoundML (2016)","Unknown","120","0.818181818","0.046597781","1.371233169","1.94275111","1.924184845","-0.00361859","1.81E-55","0.31682177","0.029379932","3.768418997","467.7246912","-0.444384444","-0.104939111","1.983659167","-0.3422"
+"UMLCN0422","L","furan","C1=COC=C1","C4H4O","Cyclic Ethers","Aromatics","NREL (2014)","IQT","7","0","0","1.153369336","1.296964181","1.368574945","-0.003273284","0","0.579380164","0","0","187.5852255","-0.041071817","-0.029459556","0.888888889","-0.2605"
+"UMLCN0423","L","2,3,4-trimethylpentane","CC(C)C(C)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","14","0.285714286","0","1.128472222","0.958682833","1.128472222","-4.55E-04","0","0.251926141","0","0","287.5490266","0.003804151","-0.01136684","2.798396005","1.2792"
+"UMLCN0424","L","1,1,2,4-tetramethylcyclopentane","CC1CC(C(C1)(C)C)C","C9H18","Naphthenes","","Kubic (2016)","Unknown","34.2","0","0.092747278","1.043209877","0.83369504","1.043209877","7.59E-17","0","0.321877869","0.083333333","2.862268519","285.3525624","0.012994021","2.05E-15","1.504784833","1.5646"
+"UMLCN0425","L","1,1,2-Trimethylcyclohexane","CC1CCCCC1(C)C","C9H18","Naphthenes","","Kubic (2016)","Unknown","29","0","0.094461374","1.12345679","0.960408675","1.12345679","7.54E-17","0","0.315997857","0.072168784","5.808634259","293.7114242","0.007168135","2.03E-15","1.55090011","0.7896"
+"UMLCN0426","L","2,3,3-Trimethylpentane","CCC(C)(C)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","17","0.285714286","0","1.03443287","0.813451866","1.03443287","-4.55E-04","0","0.290833201","0","1.282407407","277.2037947","0.011691591","-0.01136684","1.787495278","1.794"
+"UMLCN0427","L","2,2,3-Trimethylpentane","CCC(C)C(C)(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","14","0.285714286","0","1.03443287","0.807150078","1.03443287","-4.55E-04","0","0.290833201","0","1.295138889","279.9442125","0.012622776","-0.01136684","1.903631817","1.4529"
+"UMLCN0428","L","3,4-Dimethylhexane","CCC(C)C(C)CC","C8H18","Alkanes","","Kubic (2016)","Unknown","20","0.428571429","0.166666667","1.222511574","1.112007843","1.222511574","-4.55E-04","0","0.287639068","0","2.656759259","277.4913159","-0.004383136","-0.01136684","1.885367308","-0.2066"
+"UMLCN0429","L","2,4-Dimethylhexane","CCC(C)CC(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","29","0.428571429","0.166666667","1.222511574","1.097051805","1.222511574","-4.55E-04","0","0.287639068","0","2.716944444","280.7697969","-0.002153772","-0.01136684","1.875187981","0.532"
+"UMLCN0430","L","3,3-Diethylpentane","CCC(CC)(CC)CC","C9H20","Alkanes","","Kubic (2016)","Unknown","17","0.5","0","1.169547325","1.054553482","1.169547325","-4.03E-04","0","0.272874018","0","5.375","307.1311299","-0.002033221","-0.011279905","3.03025969","0.8578"
+"UMLCN0431","L","2-Methyl-3-ethylpentane","CCC(CC)C(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","12","0.428571429","0","1.222511574","1.115791254","1.222511574","-4.55E-04","0","0.287639068","0","2.68287037","295.2242974","-0.004692776","-0.01136684","2.071603814","-0.2066"
+"UMLCN0432","L","n-butane","CCCC","C4H10","Alkanes","","NREL (2014)","IQT","20.6","0.333333333","0","1.327083333","1.282787775","1.327083333","-9.31E-04","0","0.30174094","0","2.638888889","199.2887299","-0.008541261","-0.0121","2.366034632","-0.4734"
+"UMLCN0433","L","2,2-Dimethylpentane","CCCC(C)(C)C","C7H16","Alkanes","","Kubic (2016)","Unknown","30","0.333333333","0","1.075680272","0.862060939","1.075680272","-5.22E-04","0","0.288748262","0","2.649305556","283.2328382","0.009954919","-0.01147693","2.024463564","1.3819"
+"UMLCN0434","L","3-methylhexane","CCCC(C)CC","C7H16","Alkanes","","NREL (2014)","IQT","42","0.5","0.204124145","1.290816327","1.209809405","1.290816327","-5.22E-04","0","0.293460064","0","4.082685185","281.5338257","-0.00794553","-0.01147693","1.505616978","-0.0844"
+"UMLCN0435","L","n-Propylcyclopentane","CCCC1CCCC1","C8H16","Naphthenes","","Kubic (2016)","Unknown","37","0.25","0.116153904","1.34765625","1.315803524","1.34765625","1.22E-16","0","0.277440701","0.087115428","8.932222222","301.3331898","-0.011866081","2.94E-15","1.431855332","-0.352"
+"UMLCN0436","L","2,2-Dimethylhexane","CCCCC(C)(C)C","C8H18","Alkanes","","Kubic (2016)","Unknown","40","0.428571429","0.176776695","1.128472222","0.940820702","1.128472222","-4.55E-04","0","0.281462171","0","4.073680556","307.4832173","0.007856318","-0.01136684","2.144177152","1.0939"
+"UMLCN0437","L","2,2-Dimethylheptane","CCCCCC(C)(C)C","C9H20","Alkanes","","Kubic (2016)","Unknown","49","0.5","0.125","1.169547325","1.002130298","1.169547325","-4.03E-04","0","0.272874018","0.125","5.522013889","330.7484454","0.005763874","-0.011279905","2.268636205","0.8059"
+"UMLCN0438","L","2-Methyloctane","CCCCCCC(C)C","C9H20","Alkanes","","Kubic (2016)","Unknown","39","0.625","0.141878476","1.336625514","1.263643703","1.336625514","-4.03E-04","0","0.270286537","0.102062073","7.074406652","312.3764443","-0.0108376","-0.011279905","2.246939981","-0.2722"
+"UMLCN0439","L","dioctyl sebacate ","CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC","C26H50O4","Esters","","Kubic (2016)","Unknown","70","0.862068966","0.082257987","1.211813354","0.952504837","0.704393922","0.001136176","3.005155201","0.26989944","0.05297937","23.01984977","785.1287064","0.074851162","0.089757877","2.346857575","-5.1708"
+"UMLCN0440","L","anisole","COC1=CC=CC=C1","C7H8O","Aromatics","Ethers","NREL (2014)","IQT","6","0.125","0.031637843","1.058821854","1.46756067","1.56891362","0.001149188","0","0.562903618","0.017887515","0","152.5788921","-0.03926932","0.018387","0.547180469","0.9048"
+"UMLCN0441","L","4-methylanisole","CC1=CC=C(C=C1)OC","C8H10O","Aromatics","Ethers","NREL (2014)","IQT","7.4","0.111111111","0.031304156","0.932050142","1.402294629","1.476813839","0.001589629","0","0.60959569","0.023195138","0","158.3216335","-0.028367172","0.030202947","0.605777632","1.3512"
+"UMLCN0442","L","guaiacol","COC1=CC=CC=C1O","C7H8O2","Aromatics","Ethers","NREL (2014)","IQT","19.3","0.111111111","0.02738793","0.901932449","1.126969003","1.166553341","-0.011895114","0","0.672529673","0.014974663","0","191.982678","-0.092406075","-0.202216941","0.397346324","0.3417"
+"UMLCN0443","L","4-propylanisole","CCCC1=CC=C(C=C1)OC","C10H14O","Aromatics","Ethers","NREL (2014)","IQT","7.5","0.272727273","0.035563648","1.035515668","1.359647325","1.398441236","0.001813094","0","0.57604819","0.022487639","2.357463388","236.1993101","-0.034803163","0.04532736","0.540391","0.5349"
+"UMLCN0444","L","2-phenylethanol","C1=CC=C(C=C1)CCO","C8H10O","Aromatics","Alcohols","NREL (2014)","IQT","8","0.222222222","0.036814846","1.154236386","0.887566912","0.971829691","-0.00576995","0","0.613194895","0.023991604","1.004814815","155.5424039","-0.046341783","-0.109629053","0.421052632","1.0147"
+"UMLCN0445","L","4-methylguaiacol","CC1=CC(=C(C=C1)O)OC","C8H10O2","Aromatics","Ethers","NREL (2014)","IQT","19.8","0.1","0.029469599","0.801492506","1.079823679","1.091200465","-0.00824464","0","0.68741324","0.0158815","0","152.996634","-0.083683654","-0.1648928","0.57548875","0.7881"
+"UMLCN0446","L","4-propylphenol","CCCC1=CC=C(C=C1)O","C9H12O","Aromatics","Phenols","NREL (2014)","IQT","8.6","0.2","0.036277864","0.962328088","0.525486406","0.563708164","-0.004592529","0","0.636607945","0.023284257","2.255015117","159.7347612","0.025698373","-0.101035636","0.488858523","0.4704"
+"UMLCN0447","L","4-ethylguaiacol","CCC1=CC(=C(C=C1)O)OC","C9H12O2","Aromatics","Ethers","NREL (2014)","IQT","19.6","0.181818182","0.029528561","0.863606019","1.055885997","1.050025321","-0.0059698","0","0.658697443","0.019544698","0.955","188.0543127","-0.085634488","-0.137305391","0.587381522","0.453"
+"UMLCN0448","L","4-propylguaiacol","CCCC1=CC(=C(C=C1)O)OC","C10H14O2","Aromatics","Ethers","NREL (2014)","IQT","18","0.25","0.031893814","0.914524587","1.046374178","1.021700287","-0.004464781","0","0.634002687","0.019822004","2.129533258","222.4045931","-0.089594706","-0.116084308","0.596529808","-0.0282"
+"UMLCN0449","L","2,6-dimethoxyphenol","COC1=C(C(=CC=C1)OC)O","C8H10O3","Aromatics","Ethers","McCormick (2015)","Unknown","26","0.181818182","0.024435265","0.867445682","1.364955219","1.361661898","-0.013972082","0","0.633836448","0.013579731","0","186.7931023","-0.208146162","-0.293413714","0.929036905","-0.1569"
+"UMLCN0450","L","4-methyl-2,6-dimethoxyphenol","CC1=CC(=C(C(=C1)OC)O)OC","C9H12O3","Aromatics","Ethers","NREL (2014)","IQT","25","0.166666667","0.027039772","0.7905551","1.325783881","1.287606729","-0.009969083","0","0.624822336","0.013440331","0","235.4765229","-0.201575602","-0.239258","1.011027604","0.2895"
+"UMLCN0451","L","furfural","C1=COC(=C1)C=O","C5H4O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","13.9","0.142857143","0.021019722","0.973159179","1.201363223","1.103582901","-0.009004959","0","0.737213794","0.009259259","0","97.78748732","-0.119244807","-0.099054545","-4.44E-16","-0.3787"
+"UMLCN0452","L","indan","C1CC2=CC=CC=C2C1","C9H10","Aromatics","Cyclic","NREL (2014)","IQT","8.6","0","0.040740456","1.055555556","1.022318269","1.055555556","3.28E-04","0","0.560035919","0.026506053","3.963981481","150.3972688","-0.011305978","0.006569529","1.157894737","0.849"
+"UMLCN0453","L","tetrahydro-dicyclopentadiene","C1CC2C3CCC(C3)C2C1","C10H16","Naphthenes","","NREL (2014)","IQT","20.4","0","0.065965135","1.21875","1.199584093","1.21875","6.42E-04","0","0.28394772","0.044680209","9.534722222","288.0045575","-0.006604407","0.017962414","1.692307692","-0.4276"
+"UMLCN0454","L","cyclopentanone","C1CCC(=O)C1","C5H8O","Ketones","Cyclic","NREL (2014)","IQT","9","0","0.051031036","0.987470333","0.693378388","0.485067762","2.11E-17","0","0.47470093","0","3.969907407","216.5223127","-0.004816365","2.95E-16","1.428571429","-0.7702"
+"UMLCN0455","L","ocimene","CC(=CC/C=C(\C)/C=C)C","C10H16","Alkenes","","NREL (2014)","IQT","28","0.333333333","0.051781982","1.015625","1.168083726","1.015625","-3.59E-04","0","0.538355172","0.041989755","1.027962963","248.8621456","-0.010040434","-0.008981207","1.193059616","3.2403"
+"UMLCN0456","L","farnesene","CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C","C15H24","Alkenes","","NREL (2014)","IQT","32","0.428571429","0.056152287","1.060353535","1.229733033","1.060353535","-2.36E-04","1.55E-10","0.479343351","0.041945217","3.360601616","343.0007876","-0.017385836","-0.008981207","0.89793718","4.4725"
+"UMLCN0457","L","farnesol","CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C","C15H26O","Alkenes","Alcohols","NREL (2014)","IQT","24","0.466666667","0.060905979","1.094270008","0.939244918","0.91634043","-0.001910566","9.27E-17","0.433178777","0.045002239","4.613793917","358.4716588","-0.035665628","-0.078333224","1.262370238","3.5719"
+"UMLCN0458","L","methyl levulinate","CC(=O)CCC(=O)OC","C6H10O3","Esters","Ketones","NREL (2014)","IQT","7.8","0.5","0.038951955","0.798747602","0.861095036","0.764380632","-0.003359222","0","0.538855238","0.035932185","0.48462963","179.6544712","0.08714185","-0.060465994","0.71104079","-0.1731"
+"UMLCN0459","L","methyl acetate","CC(=O)OC","C3H6O2","Esters","","NREL (2014)","IQT","19.5","0.25","0","0.739305305","1.003676005","0.927852659","-0.008020628","0","0.592424507","0","0","194.506465","0.070573457","-0.080206281","1.675330749","0.0211"
+"UMLCN0460","L","1,2,3-trimethylbenzene","CC1=C(C(=CC=C1)C)C","C9H12","Aromatics","","NREL (2014)","IQT","10.1","0","0.035010083","0.810185185","0.92975357","0.810185185","8.85E-17","0","0.484501705","0.02749287","0","156.3629241","0.003180759","1.86E-15","1.155460119","2.7426"
+"UMLCN0461","L","3-carene","CC1=CCC2C(C1)C2(C)C","C10H16","Cycloalkenes","Cyclic","NREL (2014)","IQT","27","0","0.055854556","0.995710784","1.057168222","0.995710784","3.33E-04","0","0.471380398","0.036957351","2.72337963","286.7015492","1.06E-04","0.008981207","1.087102404","2.1434"
+"UMLCN0462","L","caryophyllene","C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C","C15H24","Cycloalkenes","Alkenes","NREL (2014)","IQT","29","0","0.05851218","1.05625","1.033981127","1.05625","2.25E-04","0","0.477280929","0.038908983","6.481494237","351.2281934","-0.00174449","0.008981207","0.87858109","3.2289"
+"UMLCN0463","L","1,3-dimethylcyclohexane","CC1CCCC(C1)C","C8H16","Naphthenes","","NREL (2014)","IQT","30.5","0","0.097140452","1.2578125","1.164805064","1.2578125","1.22E-16","0","0.309336409","0.090236893","5.899814815","288.0823119","-0.003697588","2.94E-15","1.479573959","0.5524"
+"UMLCN0464","L","1,2-dimethylcyclohexane","CC1CCCCC1C","C8H16","Naphthenes","","NREL (2014)","IQT","24","0","0.102437739","1.2578125","1.171936794","1.2578125","1.22E-16","0","0.309336409","0.083333333","5.90212963","282.6231729","-0.004656838","2.94E-15","2.300803373","0.202"
+"UMLCN0465","L","1,3,5-triethylbenzene","CCC1=CC(=CC(=C1)CC)CC","C12H18","Aromatics","","NREL (2014)","IQT","7.6","0.25","0.046153348","1.006944444","0.97673294","1.006944444","9.10E-17","0","0.44039377","0.030991395","3.460833333","312.9240631","-0.001761443","2.73E-15","2.260451251","1.7373"
+"UMLCN0466","L","2-ethyladamantane","CCC1C2CC3CC(C2)CC1C3","C12H20","Naphthenes","","NREL (2014)","IQT","42.7","0.071428571","0.064925962","1.205555556","1.15098002","1.205555556","5.45E-04","0","0.290262641","0.043858006","9.478407029","342.3039431","-0.00462671","0.018528125","1.586090234","-1.4552"
+"UMLCN0467","L","2,4-dimethyl-2-heptene","CCCC(C)C=C(C)C","C9H18","Alkenes","","NREL (2014)","IQT","27","0.375","0.083333333","1.128472222","1.209397107","1.128472222","-4.05E-04","0","0.412013442","0.083333333","2.621157407","300.0558705","-0.004966953","-0.010540444","1.148872223","1.7085"
+"UMLCN0468","L","4-heptanol","CCCC(CCC)O","C7H16O","Alcohols","","NREL (2014)","IQT","21","0.571428571","0.144337567","1.220490985","0.753167158","0.817007446","-0.0037029","0","0.376554707","0.144337567","4.128981481","260.9217299","-0.006215373","-0.085166694","1.562907292","-1.5601"
+"UMLCN0469","L","propyladamantane","CCCC12CC3CC(C1)CC(C3)C2","C13H22","Naphthenes","","NREL (2014)","IQT","48.6","0.133333333","0.063977289","1.17357002","1.092423069","1.17357002","5.06E-04","0","0.293343825","0.043739912","12.57348498","348.7859978","8.99E-04","0.01874048","1.679828215","-0.3116"
+"UMLCN0470","L","1-butyladamantane","CCCCC12CC3CC(C1)CC(C3)C2","C14H24","Naphthenes","","NREL (2014)","IQT","49.1","0.1875","0.065392263","1.195578231","1.122491195","1.195578231","4.73E-04","0","0.281303694","0.043186047","14.09725694","385.7486352","-0.001159688","0.018920244","1.983791526","-0.5996"
+"UMLCN0471","L","4-nonanone","CCCCCC(=O)CCC","C9H18O","Ketones","","NREL (2014)","IQT","43","0.666666667","0.095561546","1.140925609","0.842821178","0.554275233","-1.64E-04","0","0.353233212","0.072576933","6.097763133","270.7671867","-0.015349013","-0.004431755","1.084447428","-1.2436"
+"UMLCN0472","L","6-undecanone","CCCCCC(=O)CCCCC","C11H22O","Ketones","","NREL (2014)","IQT","49","0.727272727","0.088201933","1.198526855","0.873638322","0.573140153","-1.61E-04","1.32E-37","0.320028156","0.066619824","8.668195232","340.7015099","-0.018852551","-0.005320415","1.977037675","-1.8196"
+"UMLCN0473","L","butyl hexanoate","CCCCCC(=O)OCCCC","C10H20O2","Esters","","NREL (2014)","IQT","31","0.727272727","0.060223343","1.115199234","0.944295407","0.707376841","0.001106637","2.21E-45","0.374698735","0.041544152","6.521177091","319.9801293","0.043187367","0.03430575","1.125","-1.3821"
+"UMLCN0474","L","2-heptanol","CCCCCC(C)O","C7H16O","Alcohols","","NREL (2014)","IQT","25","0.571428571","0.117741619","1.220490985","0.729790073","0.817007446","-0.0037029","0","0.376554707","0.104443645","4.638518519","246.1654401","0.006261261","-0.085166694","1.578095958","-1.5601"
+"UMLCN0475","L","4-nonanol","CCCCCC(CCC)O","C9H20O","Alcohols","","NREL (2014)","IQT","28","0.666666667","0.1114698","1.27233055","0.771544805","0.822042597","-0.002735674","0","0.332772314","0.085210663","6.78767054","312.4166714","-0.010069156","-0.07933456","1.35849625","-2.1361"
+"UMLCN0476","L","ethyl octanoate","CCCCCCCC(=O)OCC","C10H20O2","Esters","","NREL (2014)","IQT","42.2","0.727272727","0.087918134","1.115199234","0.93071292","0.707376841","0.001106637","3.58E-41","0.374698735","0.057797369","7.022789746","337.3254596","0.053438547","0.03430575","1.034981734","-1.0923"
+"UMLCN0477","L","hexyl butyrate","CCCCCCOC(=O)CCC","C10H20O2","Esters","","NREL (2014)","IQT","29","0.727272727","0.071952879","1.115199234","0.945802708","0.707376841","0.001106637","0","0.374698735","0.042047721","6.716109536","299.9651161","0.042378216","0.03430575","0.948891499","-1.3821"
+"UMLCN0478","L","hexyl hexanoate","CCCCCCOC(=O)CCCCC","C12H24O2","Esters","","NREL (2014)","IQT","40","0.769230769","0.070959448","1.164898456","0.952096227","0.706102887","0.001147958","0.158448629","0.339636135","0.041720683","9.148326933","425.7306704","0.039371555","0.04247446","1.578267591","-1.9581"
+"UMLCN0479","L","pentyl acetate","CCCCCOC(=O)C","C7H14O2","Esters","","NREL (2014)","IQT","23.6","0.625","0.063681169","1.004347089","0.884576556","0.724184541","6.00E-04","0","0.441976334","0.040965135","3.896625094","247.6861264","0.079959346","0.013204083","0.972370782","-0.8823"
+"UMLCN0480","L","furfuryl ethyl ether","CCOCC1=CC=CO1","C7H10O2","Cyclic Ethers","Aromatics","NREL (2014)","IQT","18.4","0.333333333","0.032705547","1.075874192","1.575018004","1.501252084","-0.00138841","0","0.672826562","0.019048026","1.323611111","231.8320709","-0.12259862","-0.026379789","0.460783553","0.0239"
+"UMLCN0481","L","ethyl tetrahydrofurfuryl ether","CCOCC1CCCO1","C7H14O2","Cyclic Ethers","Ethers","NREL (2014)","IQT","78.9","0.333333333","0.054398687","1.236649846","1.644542599","1.577467039","0.001167183","0","0.403530294","0.034463618","4.908573318","320.6733005","-0.147979535","0.026845217","0.761294565","-0.5587"
+"UMLCN0482","L","dibutyl fumarate","CCCCOC(=O)/C=C/C(=O)OCCCC","C12H20O4","Esters","Olefins","Jenkins (2013)","CFR","23","0.666666667","0.032736138","0.983509409","0.821997878","0.762668053","-8.02E-04","0.629969234","0.478508177","0.021972985","4.391142452","350.2156515","0.16124835","-0.028080444","1.59749375","-0.954"
diff --git a/tests/models/test_mlp.py b/tests/models/test_mlp.py
new file mode 100644
index 0000000..a5757f4
--- /dev/null
+++ b/tests/models/test_mlp.py
@@ -0,0 +1,36 @@
+import unittest
+from os import remove
+
+from numpy import array
+
+from ecnet.models.mlp import MultilayerPerceptron
+
+
+class TestMLP(unittest.TestCase):
+
+    def test_mlp(self):
+
+        print('\nUNIT TEST: MultilayerPerceptron')
+        mlp = MultilayerPerceptron()
+        mlp.add_layer(2, 'relu', 2)
+        mlp.add_layer(5, 'relu')
+        mlp.add_layer(5, 'relu')
+        mlp.add_layer(1, 'linear')
+        mlp.fit(array([[1, 0], [0, 1]]), array([[1], [0]]), epochs=15000)
+
+        results = mlp.use(array([[1, 0], [0, 1]]))
+        self.assertAlmostEqual(results[0][0], 1, 3)
+        self.assertAlmostEqual(results[1][0], 0, 3)
+
+        mlp.save()
+        mlp_saved = MultilayerPerceptron()
+        mlp_saved.load()
+        results = mlp_saved.use(array([[1, 0], [0, 1]]))
+        self.assertAlmostEqual(results[0][0], 1, 3)
+        self.assertAlmostEqual(results[1][0], 0, 3)
+        remove('model.h5')
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tasks/test_limit_inputs.py b/tests/tasks/test_limit_inputs.py
new file mode 100644
index 0000000..db22eab
--- /dev/null
+++ b/tests/tasks/test_limit_inputs.py
@@ -0,0 +1,21 @@
+import unittest
+
+from ecnet.utils.data_utils import DataFrame
+from ecnet.tasks.limit_inputs import limit_rforest
+
+
+class TestLimit(unittest.TestCase):
+
+    def test_limit_rforest(self):
+
+        print('\nUNIT TEST: limit_rforest')
+        df = DataFrame('cn_model_v1.0.csv')
+        df_res = limit_rforest(df, 2)
+        self.assertEqual(len(df._input_names), 2)
+        self.assertIn(df_res._input_names[0], df._input_names)
+        self.assertIn(df_res._input_names[1], df._input_names)
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tasks/test_remove_outliers.py b/tests/tasks/test_remove_outliers.py
new file mode 100644
index 0000000..5afd2d3
--- /dev/null
+++ b/tests/tasks/test_remove_outliers.py
@@ -0,0 +1,20 @@
+import unittest
+from copy import deepcopy
+
+from ecnet.utils.data_utils import DataFrame
+from ecnet.tasks.remove_outliers import remove_outliers
+
+
+class TestRemoveOutliers(unittest.TestCase):
+
+    def test_limit_rforest(self):
+
+        print('UNIT TEST: remove_outliers')
+        df = DataFrame('cn_model_v1.0.csv')
+        df_res = remove_outliers(deepcopy(df))
+        self.assertLess(len(df_res), len(df))
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tasks/test_tune_hyperparameters.py b/tests/tasks/test_tune_hyperparameters.py
new file mode 100644
index 0000000..1626689
--- /dev/null
+++ b/tests/tasks/test_tune_hyperparameters.py
@@ -0,0 +1,35 @@
+import unittest
+
+from ecnet.utils.data_utils import DataFrame
+from ecnet.utils.server_utils import default_config
+from ecnet.tasks.tuning import tune_hyperparameters
+
+
+class TestTune(unittest.TestCase):
+
+    def test_tune_hyperparameters(self):
+
+        print('\nUNIT TEST: tune_hyperparameters')
+        df = DataFrame('cn_model_v1.0.csv')
+        df.create_sets(random=True)
+        config = default_config()
+        new_hp = tune_hyperparameters(df, config, 2, 1)
+        self.assertGreaterEqual(new_hp['beta_1'], 0)
+        self.assertLessEqual(new_hp['beta_1'], 1)
+        self.assertGreaterEqual(new_hp['beta_2'], 0)
+        self.assertLessEqual(new_hp['beta_2'], 1)
+        self.assertGreaterEqual(new_hp['decay'], 0)
+        self.assertLessEqual(new_hp['decay'], 1)
+        self.assertGreaterEqual(new_hp['epsilon'], 0)
+        self.assertLessEqual(new_hp['epsilon'], 1)
+        self.assertGreaterEqual(new_hp['learning_rate'], 0)
+        self.assertLessEqual(new_hp['learning_rate'], 1)
+        self.assertGreaterEqual(new_hp['hidden_layers'][0][0], 1)
+        self.assertLessEqual(new_hp['hidden_layers'][0][0], 50)
+        self.assertGreaterEqual(new_hp['hidden_layers'][1][0], 1)
+        self.assertLessEqual(new_hp['hidden_layers'][1][0], 50)
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/test_all.py b/tests/test_all.py
new file mode 100644
index 0000000..74d7cae
--- /dev/null
+++ b/tests/test_all.py
@@ -0,0 +1,17 @@
+import unittest
+
+from models.test_mlp import TestMLP
+from tasks.test_limit_inputs import TestLimit
+from tasks.test_remove_outliers import TestRemoveOutliers
+from tasks.test_tune_hyperparameters import TestTune
+from tools.test_conversions import TestConversions
+from tools.test_database import TestDatabase
+from tools.test_project import TestUseProject
+from utils.test_data_utils import TestDataUtils
+from utils.test_error_utils import TestErrors
+from utils.test_server_utils import TestServerUtils
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tools/test_conversions.py b/tests/tools/test_conversions.py
new file mode 100644
index 0000000..6c801d6
--- /dev/null
+++ b/tests/tools/test_conversions.py
@@ -0,0 +1,66 @@
+import unittest
+from os import remove
+from csv import DictReader
+
+import ecnet.tools.conversions as conversions
+
+
+class TestConversions(unittest.TestCase):
+
+    def test_get_smiles(self):
+
+        print('\nUNIT TEST: get_smiles')
+        smiles = conversions.get_smiles('Propane')
+        self.assertIn('CCC', smiles)
+
+    def test_smiles_to_descriptors(self):
+
+        print('\nUNIT TEST: smiles_to_descriptors')
+        with open('smiles.smi', 'w') as smi_file:
+            smi_file.write('CCC')
+        smi_file.close()
+        conversions.smiles_to_descriptors('smiles.smi', 'desc.csv')
+        with open('desc.csv', 'r') as desc_file:
+            reader = DictReader(desc_file)
+            for row in reader:
+                mol_row = row
+            self.assertEqual(len(list(mol_row.keys())), 1876)
+        desc_file.close()
+        remove('smiles.smi')
+        remove('desc.csv')
+
+    def test_smiles_to_mdl(self):
+
+        print('\nUNIT TEST: smiles_to_mdl')
+        with open('smiles.smi', 'w') as smi_file:
+            smi_file.write('CCC')
+        smi_file.close()
+        conversions.smiles_to_mdl('smiles.smi', 'mdl.mdl')
+        with open('mdl.mdl', 'r') as mdl_file:
+            self.assertGreater(len(mdl_file.read()), 0)
+        mdl_file.close()
+        remove('smiles.smi')
+        remove('mdl.mdl')
+
+    def test_mdl_to_descriptors(self):
+
+        print('\nUNIT TEST: mdl_to_descriptors')
+        with open('smiles.smi', 'w') as smi_file:
+            smi_file.write('CCC')
+        smi_file.close()
+        conversions.smiles_to_mdl('smiles.smi', 'mdl.mdl')
+        conversions.mdl_to_descriptors('mdl.mdl', 'desc.csv')
+        with open('desc.csv', 'r') as desc_file:
+            reader = DictReader(desc_file)
+            for row in reader:
+                mol_row = row
+            self.assertEqual(len(list(mol_row.keys())), 1876)
+        desc_file.close()
+        remove('smiles.smi')
+        remove('mdl.mdl')
+        remove('desc.csv')
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tools/test_database.py b/tests/tools/test_database.py
new file mode 100644
index 0000000..dccff14
--- /dev/null
+++ b/tests/tools/test_database.py
@@ -0,0 +1,26 @@
+import unittest
+from os import remove
+
+from ecnet.utils.data_utils import DataFrame
+import ecnet.tools.database as database
+
+
+class TestDatabase(unittest.TestCase):
+
+    def test_create_db(self):
+
+        print('\nUNIT TEST: create_db')
+        with open('smiles.smi', 'w') as smi_file:
+            smi_file.write('CCC')
+        smi_file.close()
+        database.create_db('smiles.smi', 'database.csv', form='smiles')
+        df = DataFrame('database.csv')
+        self.assertEqual(len(df), 1)
+        self.assertEqual(len(df._input_names), 1875)
+        remove('smiles.smi')
+        remove('database.csv')
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/tools/test_project.py b/tests/tools/test_project.py
new file mode 100644
index 0000000..2816119
--- /dev/null
+++ b/tests/tools/test_project.py
@@ -0,0 +1,34 @@
+import unittest
+from os import remove
+
+from ecnet import Server
+from ecnet.tools.project import predict
+
+
+class TestUseProject(unittest.TestCase):
+
+    def test_predict(self):
+
+        print('\nUNIT TEST: project.predict')
+        sv = Server()
+        sv.load_data('cn_model_v2.0.csv')
+        sv.create_project('test_project', 1, 1)
+        sv.train()
+        sv.save_project()
+
+        with open('smiles.smi', 'w') as smi_file:
+            smi_file.write('CCC')
+        smi_file.close()
+        predict('smiles.smi', 'results.csv', 'test_project', form='smiles')
+        with open('results.csv', 'r') as res_file:
+            self.assertGreater(len(res_file.read()), 0)
+        res_file.close()
+        remove('smiles.smi')
+        remove('results.csv')
+        remove('test_project.prj')
+        remove('config.yml')
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/utils/test_data_utils.py b/tests/utils/test_data_utils.py
new file mode 100644
index 0000000..811b6c3
--- /dev/null
+++ b/tests/utils/test_data_utils.py
@@ -0,0 +1,136 @@
+import unittest
+from os import remove
+
+import ecnet.utils.data_utils as data_utils
+
+
+class TestDataUtils(unittest.TestCase):
+
+    def test_df_init(self):
+
+        print('\nUNIT TEST: DataFrame init')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        self.assertEqual(len(df._string_names), 7)
+        self.assertEqual(len(df._group_names), 1)
+        self.assertEqual(len(df._target_names), 1)
+        self.assertEqual(len(df._input_names), 15)
+        self.assertEqual(len(df), 482)
+
+    def test_set_creation(self):
+
+        print('\nUNIT TEST: DataFrame set creation')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+
+        df.create_sets()
+        self.assertEqual(len(df.learn_set), 329)
+        self.assertEqual(len(df.valid_set), 118)
+        self.assertEqual(len(df.test_set), 35)
+
+        df.create_sets(random=True, split=[0.7, 0.2, 0.1])
+        self.assertEqual(len(df.learn_set), 337)
+        self.assertEqual(len(df.valid_set), 96)
+        self.assertEqual(len(df.test_set), 49)
+
+    def test_normalize(self):
+
+        print('\nUNIT TEST: DataFrame normalize')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.normalize()
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        for entry in pd.learn_x:
+            for val in entry:
+                self.assertGreaterEqual(val, 0)
+                self.assertLessEqual(val, 1)
+        for entry in pd.valid_x:
+            for val in entry:
+                self.assertGreaterEqual(val, 0)
+                self.assertLessEqual(val, 1)
+        for entry in pd.test_x:
+            for val in entry:
+                self.assertGreaterEqual(val, 0)
+                self.assertLessEqual(val, 1)
+
+    def test_shuffle(self):
+
+        print('\nUNIT TEST: DataFrame shuffle')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+
+        df.shuffle(sets='all', split=[0.7, 0.2, 0.1])
+        self.assertEqual(len(df.learn_set), 337)
+        self.assertEqual(len(df.valid_set), 96)
+        self.assertEqual(len(df.test_set), 49)
+
+        df.shuffle(sets='train', split=[0.7, 0.2, 0.1])
+        self.assertEqual(len(df.learn_set), 337)
+        self.assertEqual(len(df.valid_set), 96)
+        self.assertEqual(len(df.test_set), 49)
+
+    def test_package_sets(self):
+
+        print('\nUNIT TEST: DataFrame package_sets')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.shuffle(sets='all', split=[0.7, 0.2, 0.1])
+
+        pd = df.package_sets()
+        self.assertEqual(len(pd.learn_x), 337)
+        self.assertEqual(len(pd.valid_x), 96)
+        self.assertEqual(len(pd.test_x), 49)
+        for entry in pd.learn_x:
+            self.assertEqual(len(entry), 15)
+        for entry in pd.valid_x:
+            self.assertEqual(len(entry), 15)
+        for entry in pd.test_x:
+            self.assertEqual(len(entry), 15)
+        self.assertEqual(len(pd.learn_y), 337)
+        self.assertEqual(len(pd.valid_y), 96)
+        self.assertEqual(len(pd.test_y), 49)
+        for entry in pd.learn_y:
+            self.assertEqual(len(entry), 1)
+        for entry in pd.valid_y:
+            self.assertEqual(len(entry), 1)
+        for entry in pd.test_y:
+            self.assertEqual(len(entry), 1)
+
+    def test_set_inputs(self):
+
+        print('\nUNIT TEST: DataFrame set_inputs')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.set_inputs(['PHI', 'piPC05'])
+        self.assertEqual(len(df._input_names), 2)
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        self.assertEqual(len(pd.learn_x[0]), 2)
+
+    def test_save_df(self):
+
+        print('\nUNIT TEST: DataFrame save')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.save('cn_test_save.csv')
+        df_new = data_utils.DataFrame('cn_test_save.csv')
+        self.assertEqual(
+            len(df),
+            len(df_new)
+        )
+        self.assertEqual(
+            df._string_names,
+            df_new._string_names
+        )
+        self.assertEqual(
+            df._group_names,
+            df_new._group_names
+        )
+        self.assertEqual(
+            df._target_names,
+            df_new._target_names
+        )
+        self.assertEqual(
+            df._input_names,
+            df_new._input_names
+        )
+        remove('cn_test_save.csv')
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/utils/test_error_utils.py b/tests/utils/test_error_utils.py
new file mode 100644
index 0000000..2bea8ad
--- /dev/null
+++ b/tests/utils/test_error_utils.py
@@ -0,0 +1,41 @@
+import unittest
+
+from numpy import array
+
+import ecnet.utils.error_utils as error_utils
+
+
+class TestErrors(unittest.TestCase):
+
+    def test_rmse(self):
+
+        print('\nUNIT TEST: RMSE')
+        y = array([1, 2, 3, 4, 5])
+        y_hat = array([2, 4, 6, 8, 10])
+        self.assertEqual(round(error_utils.calc_rmse(y_hat, y), 3), 3.317)
+
+    def test_mean_abs_error(self):
+
+        print('\nUNIT TEST: Mean Absolute Error')
+        y = array([1, 2, 3, 4, 5])
+        y_hat = array([2, 4, 6, 8, 10])
+        self.assertEqual(error_utils.calc_mean_abs_error(y_hat, y), 3)
+
+    def test_med_abs_error(self):
+
+        print('\nUNIT TEST: Median Absolute Error')
+        y = array([1, 2, 3, 4, 5])
+        y_hat = array([2, 4, 6, 8, 10])
+        self.assertEqual(error_utils.calc_med_abs_error(y_hat, y), 3)
+
+    def test_r2(self):
+
+        print('\nUNIT TEST: R-Squared')
+        y = array([1, 2, 3, 4, 5])
+        y_hat = array([1, 2, 3, 4, 6])
+        self.assertEqual(error_utils.calc_r2(y_hat, y), 0.9)
+
+
+if __name__ == '__main__':
+
+    unittest.main()
diff --git a/tests/utils/test_server_utils.py b/tests/utils/test_server_utils.py
new file mode 100644
index 0000000..e9c702e
--- /dev/null
+++ b/tests/utils/test_server_utils.py
@@ -0,0 +1,192 @@
+import unittest
+from os.path import exists
+from os import remove
+
+from numpy import array
+
+import ecnet.utils.server_utils as server_utils
+import ecnet.utils.data_utils as data_utils
+
+
+class TestServerUtils(unittest.TestCase):
+
+    def test_default_config(self):
+
+        print('\nUNIT TEST: default_config')
+        dc = server_utils.default_config()
+        self.assertEqual(
+            dc, {
+                'epochs': 10000,
+                'learning_rate': 0.001,
+                'beta_1': 0.9,
+                'beta_2': 0.999,
+                'epsilon': 0.0000001,
+                'decay': 0.0,
+                'hidden_layers': [
+                    [32, 'relu'],
+                    [32, 'relu']
+                ],
+                'output_activation': 'linear'
+            }
+        )
+
+    def test_get_candidate_path(self):
+
+        print('\nUNIT TEST: get_candidate_path')
+        prj_name = 'test_project'
+        pool = 1
+        candidate = 2
+        self.assertEqual(
+            server_utils.get_candidate_path(prj_name, pool, candidate),
+            'test_project\\pool_1\\candidate_2'
+        )
+        self.assertEqual(
+            server_utils.get_candidate_path(prj_name, pool, candidate, True),
+            'test_project\\pool_1\\candidate_2\\model.h5'
+        )
+        self.assertEqual(
+            server_utils.get_candidate_path(prj_name, pool, candidate,
+                                            p_best=True),
+            'test_project\\pool_1\\model.h5'
+        )
+
+    def test_get_error(self):
+
+        print('\nUNIT TEST: get_error')
+        y = array([1, 2, 3, 4, 5])
+        y_hat = array([2, 4, 6, 8, 10])
+        self.assertEqual(
+            round(server_utils.get_error(y_hat, y, 'rmse'), 3),
+            3.317
+        )
+        self.assertEqual(server_utils.get_error(y_hat, y, 'mean_abs_error'), 3)
+        self.assertEqual(server_utils.get_error(y_hat, y, 'med_abs_error'), 3)
+        self.assertEqual(
+            server_utils.get_error(array([1, 2, 3, 4, 6]), y, 'r2'),
+            0.9
+        )
+
+    def test_get_x(self):
+
+        print('\nUNIT TEST: get_x')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        self.assertEqual(len(server_utils.get_x(pd, 'learn')), len(pd.learn_x))
+        self.assertEqual(len(server_utils.get_x(pd, 'valid')), len(pd.valid_x))
+        self.assertEqual(len(server_utils.get_x(pd, 'test')), len(pd.test_x))
+        self.assertEqual(
+            len(server_utils.get_x(pd, 'train')),
+            len(pd.learn_x) + len(pd.valid_x)
+        )
+        self.assertEqual(
+            len(server_utils.get_x(pd, None)),
+            len(pd.learn_x) + len(pd.valid_x) + len(pd.test_x)
+        )
+
+    def test_get_y(self):
+
+        print('\nUNIT TEST: get_y')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        self.assertEqual(len(server_utils.get_y(pd, 'learn')), len(pd.learn_y))
+        self.assertEqual(len(server_utils.get_y(pd, 'valid')), len(pd.valid_y))
+        self.assertEqual(len(server_utils.get_y(pd, 'test')), len(pd.test_y))
+        self.assertEqual(
+            len(server_utils.get_y(pd, 'train')),
+            len(pd.learn_y) + len(pd.valid_y)
+        )
+        self.assertEqual(
+            len(server_utils.get_y(pd, None)),
+            len(pd.learn_y) + len(pd.valid_y) + len(pd.test_y)
+        )
+
+    def test_open_save_config(self):
+
+        print('\nUNIT TEST: open/save config')
+        config = server_utils.default_config()
+        server_utils.save_config(config, 'config.yml')
+        config = server_utils.open_config('config.yml')
+        self.assertEqual(
+            server_utils.open_config('config.yml'),
+            {
+                'epochs': 10000,
+                'learning_rate': 0.001,
+                'beta_1': 0.9,
+                'beta_2': 0.999,
+                'epsilon': 0.0000001,
+                'decay': 0.0,
+                'hidden_layers': [
+                    [32, 'relu'],
+                    [32, 'relu']
+                ],
+                'output_activation': 'linear'
+            }
+        )
+        remove('config.yml')
+
+    def test_open_save_df(self):
+
+        print('\nUNIT TEST: open/save DataFrame')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        server_utils.save_df(df, 'test_df_saved.d')
+        df = server_utils.open_df('test_df_saved.d')
+        self.assertEqual(len(df), 482)
+        self.assertEqual(len(df._string_names), 7)
+        self.assertEqual(len(df._group_names), 1)
+        self.assertEqual(len(df._target_names), 1)
+        self.assertEqual(len(df._input_names), 15)
+        remove('test_df_saved.d')
+
+    def test_train_model(self):
+
+        print('\nUNIT TEST: train_model')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        config = server_utils.default_config()
+        r_squared = server_utils.train_model(
+            pd, config, 'test', 'r2', filename='test_train.h5'
+        )
+        self.assertTrue(exists('test_train.h5'))
+        self.assertGreaterEqual(r_squared, 0)
+        self.assertLessEqual(r_squared, 1)
+        remove('test_train.h5')
+
+    def test_use_model(self):
+
+        print('\nUNIT TEST: use_model')
+        df = data_utils.DataFrame('cn_model_v1.0.csv')
+        df.create_sets(random=True)
+        pd = df.package_sets()
+        config = server_utils.default_config()
+        _ = server_utils.train_model(
+            pd, config, 'test', 'rmse', filename='test_use.h5'
+        )
+        self.assertEqual(
+            len(server_utils.use_model(pd, 'learn', 'test_use.h5')),
+            len(pd.learn_y)
+        )
+        self.assertEqual(
+            len(server_utils.use_model(pd, 'valid', 'test_use.h5')),
+            len(pd.valid_y)
+        )
+        self.assertEqual(
+            len(server_utils.use_model(pd, 'test', 'test_use.h5')),
+            len(pd.test_y)
+        )
+        self.assertEqual(
+            len(server_utils.use_model(pd, 'train', 'test_use.h5')),
+            len(pd.learn_y) + len(pd.valid_y)
+        )
+        self.assertEqual(
+            len(server_utils.use_model(pd, None, 'test_use.h5')),
+            len(pd.learn_y) + len(pd.valid_y) + len(pd.test_y)
+        )
+        remove('test_use.h5')
+
+
+if __name__ == '__main__':
+
+    unittest.main()

From 0fa367ad2534f68c892dad4e7261589e376f7af3 Mon Sep 17 00:00:00 2001
From: tjkessler <travis.j.kessler@gmail.com>
Date: Mon, 3 Jun 2019 17:50:44 -0400
Subject: [PATCH 7/7] Version bump: 3.1.1 -> 3.1.2

---
 docs/conf.py                   | 2 +-
 ecnet/__init__.py              | 2 +-
 ecnet/models/mlp.py            | 2 +-
 ecnet/server.py                | 2 +-
 ecnet/tasks/limit_inputs.py    | 2 +-
 ecnet/tasks/remove_outliers.py | 2 +-
 ecnet/tasks/tuning.py          | 2 +-
 ecnet/tools/conversions.py     | 2 +-
 ecnet/tools/database.py        | 2 +-
 ecnet/tools/plotting.py        | 2 +-
 ecnet/tools/project.py         | 2 +-
 ecnet/utils/data_utils.py      | 2 +-
 ecnet/utils/error_utils.py     | 2 +-
 ecnet/utils/logging.py         | 2 +-
 ecnet/utils/server_utils.py    | 2 +-
 setup.py                       | 2 +-
 16 files changed, 16 insertions(+), 16 deletions(-)

diff --git a/docs/conf.py b/docs/conf.py
index bb0d42d..fb9c5e7 100644
--- a/docs/conf.py
+++ b/docs/conf.py
@@ -32,7 +32,7 @@
 # The short X.Y version
 version = ''
 # The full version, including alpha/beta/rc tags
-release = '3.0.0'
+release = '3.1.2'
 
 
 # -- General configuration ---------------------------------------------------
diff --git a/ecnet/__init__.py b/ecnet/__init__.py
index 93e71e1..51bfc6a 100644
--- a/ecnet/__init__.py
+++ b/ecnet/__init__.py
@@ -1,2 +1,2 @@
 from ecnet.server import Server
-__version__ = '3.1.1'
+__version__ = '3.1.2'
diff --git a/ecnet/models/mlp.py b/ecnet/models/mlp.py
index e52964c..fdde5dd 100644
--- a/ecnet/models/mlp.py
+++ b/ecnet/models/mlp.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/models/mlp.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains the "MultilayerPerceptron" (feed-forward neural network) class
diff --git a/ecnet/server.py b/ecnet/server.py
index d11efda..aa01b35 100644
--- a/ecnet/server.py
+++ b/ecnet/server.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/server.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains the "Server" class, which handles ECNet project creation, neural
diff --git a/ecnet/tasks/limit_inputs.py b/ecnet/tasks/limit_inputs.py
index 1358696..88d42e1 100644
--- a/ecnet/tasks/limit_inputs.py
+++ b/ecnet/tasks/limit_inputs.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tasks/limit_inputs.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions for selecting influential input parameters
diff --git a/ecnet/tasks/remove_outliers.py b/ecnet/tasks/remove_outliers.py
index a84c18c..59f5a59 100644
--- a/ecnet/tasks/remove_outliers.py
+++ b/ecnet/tasks/remove_outliers.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tasks/remove_outliers.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains function for removing outliers from ECNet DataFrame
diff --git a/ecnet/tasks/tuning.py b/ecnet/tasks/tuning.py
index 4329856..d4fa336 100644
--- a/ecnet/tasks/tuning.py
+++ b/ecnet/tasks/tuning.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tasks/tuning.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions/fitness functions for tuning hyperparameters
diff --git a/ecnet/tools/conversions.py b/ecnet/tools/conversions.py
index 1097c8f..e417cc2 100644
--- a/ecnet/tools/conversions.py
+++ b/ecnet/tools/conversions.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tools/conversions.py
-# v.3.1.0
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions for converting various chemical file formats
diff --git a/ecnet/tools/database.py b/ecnet/tools/database.py
index 0e68b43..277b087 100644
--- a/ecnet/tools/database.py
+++ b/ecnet/tools/database.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tools/database.py
-# v.3.1.0
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions for creating ECNet-formatted databases
diff --git a/ecnet/tools/plotting.py b/ecnet/tools/plotting.py
index 6c7c9f0..e299c5c 100644
--- a/ecnet/tools/plotting.py
+++ b/ecnet/tools/plotting.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tools/plotting.py
-# v.3.1.0
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions/classes for creating various plots
diff --git a/ecnet/tools/project.py b/ecnet/tools/project.py
index e3fd26d..ec1b3a8 100644
--- a/ecnet/tools/project.py
+++ b/ecnet/tools/project.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/tools/project.py
-# v.3.1.0
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions for predicting data using pre-existing .prj files
diff --git a/ecnet/utils/data_utils.py b/ecnet/utils/data_utils.py
index d5bc860..98a87da 100644
--- a/ecnet/utils/data_utils.py
+++ b/ecnet/utils/data_utils.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/utils/data_utils.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions/classes for loading data, saving data, saving results
diff --git a/ecnet/utils/error_utils.py b/ecnet/utils/error_utils.py
index 3e69fba..3552c4c 100644
--- a/ecnet/utils/error_utils.py
+++ b/ecnet/utils/error_utils.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/utils/error_utils.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <Travis_Kessler@student.uml.edu>
 #
 # Contains functions for error calculations
diff --git a/ecnet/utils/logging.py b/ecnet/utils/logging.py
index de32a54..00c4032 100644
--- a/ecnet/utils/logging.py
+++ b/ecnet/utils/logging.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/utils/logging.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <Travis_Kessler@student.uml.edu>
 #
 # Contains logger used by ECNet
diff --git a/ecnet/utils/server_utils.py b/ecnet/utils/server_utils.py
index 910589a..cfc8851 100644
--- a/ecnet/utils/server_utils.py
+++ b/ecnet/utils/server_utils.py
@@ -2,7 +2,7 @@
 # -*- coding: utf-8 -*-
 #
 # ecnet/utils/server_utils.py
-# v.3.1.1
+# v.3.1.2
 # Developed in 2019 by Travis Kessler <travis.j.kessler@gmail.com>
 #
 # Contains functions used by ecnet.Server
diff --git a/setup.py b/setup.py
index 9576828..a94bf71 100644
--- a/setup.py
+++ b/setup.py
@@ -2,7 +2,7 @@
 
 setup(
     name='ecnet',
-    version='3.1.1',
+    version='3.1.2',
     description='UMass Lowell Energy and Combustion Research Laboratory Neural'
                 ' Network Software',
     url='http://github.com/tjkessler/ecnet',