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The dataset generation failed because of a cast error
Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 1 new columns ({'text'}) and 2 missing columns ({'smiles', 'solvent_system'}).

This happened while the json dataset builder was generating data using

hf://datasets/fredpeperoni/test_dataset/y_test-Copy1.json (at revision d985d2fa60eb576c89d9bddfb6a618c0d4938d72), ['hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test.json'], ['hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test.json']

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1837, in _prepare_split_single
                  writer.write_table(table)
                  ~~~~~~~~~~~~~~~~~~^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 765, in write_table
                  self._write_table(pa_table, writer_batch_size=writer_batch_size)
                  ~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 773, in _write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2369, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2297, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              text: double
              to
              {'smiles': Value('string'), 'solvent_system': {'Ethyl acetate': Value('float64'), 'Chloroform': Value('float64'), 'Methanol': Value('float64'), 'Hexane': Value('int64'), 'Heptane': Value('int64'), 'Petroleum ether': Value('float64'), 'Cyclohexane': Value('int64'), 'Pyridine': Value('int64'), 'Acetic acid': Value('int64'), 'Water': Value('int64'), 'Pentane': Value('int64'), 'Diethyl ether': Value('int64'), 'Dichloromethane': Value('float64'), 'Acetone': Value('int64'), 'Methyl ethyl ketone': Value('int64'), 'Benzene': Value('int64'), 'Isopropyl amine': Value('int64'), 'Triethylamine': Value('int64'), 'tert-Butyl methyl ether': Value('int64'), 'Toluene': Value('int64'), '1-butanol': Value('int64'), 'Aqueous ammonia': Value('int64'), 'Acetonitrile': Value('int64'), '2-Propanol': Value('int64'), 'Ligroin': Value('int64'), 'methyl acetate': Value('int64'), 'Isohexane': Value('int64')}}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                                                                        ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      builder, max_dataset_size_bytes=max_dataset_size_bytes
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
                  builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
                  ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1683, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ~~~~~~~~~~~~~~~~~~~~~~~~~~^
                      gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  ):
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1839, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
                  ...<4 lines>...
                  )
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 1 new columns ({'text'}) and 2 missing columns ({'smiles', 'solvent_system'}).
              
              This happened while the json dataset builder was generating data using
              
              hf://datasets/fredpeperoni/test_dataset/y_test-Copy1.json (at revision d985d2fa60eb576c89d9bddfb6a618c0d4938d72), ['hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test.json'], ['hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/X_test.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test-Copy1.json', 'hf://datasets/fredpeperoni/test_dataset@d985d2fa60eb576c89d9bddfb6a618c0d4938d72/y_test.json']
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

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smiles
string
solvent_system
dict
CC1C=CC(S(Cl)(=O)=O)=CC=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=[N+]([H])C=CC=1.[Cl-]
{ "Ethyl acetate": 0, "Chloroform": 0.33, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(=O)C3C=CC=CC=3C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(Br)N=CC=C(C(=O)O)C=1
{ "Ethyl acetate": 0.8, "Chloroform": 0, "Methanol": 0.2, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(CO)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
COc1ccc(C=C)cc1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C(C)=NC(C)=CC=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=NC=CC=1N(C)C
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=C3C=CC=CC3=CC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC=C3CCC=1C=23
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC=C3CCC=1C=23
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.67, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C(C3=C(C=CC=C3)C(=O)C=2C=1)=O
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC(Br)=CC=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2N=C3C(C=CC=C3)=C(N)C=2C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C(=O)C3=C(C(N)=CC=C3)C(=O)C=2C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(SSC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(C2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C=CC=CC=2C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C=CC(NC3C=CC=CC=3)=CC=2C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1N=CC=C(N(C)C)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1=CC=C(C=C1)N
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1(C#N)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(N2C3C=CC=CC=3C3C=CC=CC2=3)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(C#N)C=1N1C2C=CC=CC=2C2C=CC=CC1=2
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1(Br)N=CC=C(C(=O)O)C=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C3C=CC=CC=3NC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=[N+]([H])C=CC=1.[Cl-]
{ "Ethyl acetate": 0, "Chloroform": 0.67, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
{ "Ethyl acetate": 0.8, "Chloroform": 0, "Methanol": 0.2, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0.25, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.75, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=C(C#N)C=CC=1C#N
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C3C=CC=CC=3SC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2N=C3C(C=CC=C3)=C(N)C=2C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(=O)C3=C(C(N)=CC=C3)C(=O)C=2C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(SSC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(N)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(C2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC(NC3C=CC=CC=3)=CC=2C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1N=CC=C(N(C)C)C=1
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(/C=C/C(=O)C)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=C(C#N)C=CC=1C#N
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C=CC=C(NC3C=CC=CC=3)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC(C(O)=O)=C(I)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.67, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC(=O)C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(/C=C/C(=O)C)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
COc1ccc(C=C)cc1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(C#N)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(N2C3C=CC=CC=3C3C=CC=CC2=3)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(C#N)C=1N1C2C=CC=CC=2C2C=CC=CC1=2
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC=C(NC3C=CC=CC=3)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=C3C=CC=CC3=CC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=[N+]([H])C=CC=1.[Cl-]
{ "Ethyl acetate": 0, "Chloroform": 0.5, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(Br)N=CC=C(C(=O)O)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=NC=CC=1N(C)C
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(/C=C/C(=O)C)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C3C=CC=CC=3NC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(CO)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(=O)C3C=CC=CC=3C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=C(C#N)C=CC=1C#N
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C(C)=CC=C(S(Cl)(=O)=O)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C=C(C(O)(C)C)SC1C=CC=CC=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C=C(C(O)(C)C)SC1C=CC=CC=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C3C=CC=CC=3SC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(C#N)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(N2C3C=CC=CC=3C3C=CC=CC2=3)C(N2C3C=CC=CC=3C3C=CC=CC2=3)=C(C#N)C=1N1C2C=CC=CC=2C2C=CC=CC1=2
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(Br)C([O-])=C(Br)C2OC3=C(Br)C(=O)C(Br)=CC3=C(C3C(C([O-])=O)=CC=CC=3)C=2C=1.[Na+].[Na+]
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C(C)=CC=C(S(Cl)(=O)=O)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC(Br)=CC=1
{ "Ethyl acetate": 0.25, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.75, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C(C)=NC(C)=CC=1
{ "Ethyl acetate": 0.5, "Chloroform": 0, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(CO)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC(C(O)=O)=C(I)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.5, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C=C(C(O)(C)C)SC1C=CC=CC=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0.75, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.25, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C3C=CC=CC=3NC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=C3C=CC=CC3=CC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC(C(O)=O)=C(I)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.33, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC(=O)C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.33, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.67, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.5, "Methanol": 0.5, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(C3=C(C=CC=C3)C(=O)C=2C=1)=O
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC(Br)=CC=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2N=C3C(C=CC=C3)=C(N)C=2C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(=O)C3=C(C(N)=CC=C3)C(=O)C=2C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(NC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(SSC2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(N)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC=C(C2C=CC=CC=2)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC=CC=2C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC(NC3C=CC=CC=3)=CC=2C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1N=CC=C(N(C)C)C=1
{ "Ethyl acetate": 0.33, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1(Br)C([O-])=C(Br)C2OC3=C(Br)C(=O)C(Br)=CC3=C(C3C(C([O-])=O)=CC=CC=3)C=2C=1.[Na+].[Na+]
{ "Ethyl acetate": 0.67, "Chloroform": 0, "Methanol": 0.33, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C=CC(=O)C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.67, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.33, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
C1C=CC2C(=O)C3C=CC=CC=3C(=O)C=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
COc1ccc(C=C)cc1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC2C3C=CC=CC=3SC=2C=1
{ "Ethyl acetate": 0, "Chloroform": 0, "Methanol": 0, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0.5, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0.5, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Isopr...
C1C=CC=C(B(O)O)C=1
{ "Ethyl acetate": 0, "Chloroform": 0.33, "Methanol": 0.67, "Hexane": 0, "Heptane": 0, "Petroleum ether": 0, "Cyclohexane": 0, "Pyridine": 0, "Acetic acid": 0, "Water": 0, "Pentane": 0, "Diethyl ether": 0, "Dichloromethane": 0, "Acetone": 0, "Methyl ethyl ketone": 0, "Benzene": 0, "Iso...
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