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/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:
 ```
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 45667ac..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
@@ -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) -> 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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..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
@@ -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..3552c4c 100644
--- a/ecnet/utils/error_utils.py
+++ b/ecnet/utils/error_utils.py
@@ -2,50 +2,38 @@
 # -*- 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
 #
 
 # 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
+from sklearn.metrics import r2_score
 
 
-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()
-    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.')
+    return r2_score(y, y_hat)
 
-    s_res = nsum(square(_get_diff(y_hat, y)))
-    s_tot = nsum(square(_get_diff(y, y_mean)))
-    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/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 2647b58..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
@@ -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:
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',
diff --git a/tests/hyperparameter_tuning/cn_model_v1.0.csv b/tests/cn_model_v1.0.csv
similarity index 100%
rename from tests/hyperparameter_tuning/cn_model_v1.0.csv
rename to tests/cn_model_v1.0.csv
diff --git a/tests/use_project_tool/cn_model_v2.0.csv b/tests/cn_model_v2.0.csv
similarity index 100%
rename from tests/use_project_tool/cn_model_v2.0.csv
rename to tests/cn_model_v2.0.csv
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/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/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/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/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.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/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/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 7748c1d..0000000
Binary files a/tests/training/_training_test_1.prj and /dev/null differ
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@@ -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 23d31c4..0000000
Binary files a/tests/training/model.h5 and /dev/null differ
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 b8f2286..0000000
Binary files a/tests/use_project/use_project.prj and /dev/null differ
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_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 04d9b87..0000000
Binary files a/tests/use_project_tool/model.prj and /dev/null differ
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()
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()