The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
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 2 new columns ({'pert_id', 'gene_id'}) and 2 missing columns ({'Metadata_mmoles_per_liter', 'cell_bid'}).

This happened while the csv dataset builder was generating data using

/tmp/hf-datasets-cache/medium/datasets/74656290791168-config-parquet-and-info-liuganghuggingface-InfoAl-fea82507/downloads/76a00af91259422aaa92e91a5550f4c0bee4d20fe602d29c07f1d55ecbe3cc33

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 "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2011, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 585, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2302, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2256, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              gene_id: string
              mol_id: string
              smiles: string
              inchikey: string
              pert_id: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 830
              to
              {'cell_bid': Value(dtype='string', id=None), 'mol_id': Value(dtype='string', id=None), 'smiles': Value(dtype='string', id=None), 'inchikey': Value(dtype='string', id=None), 'Metadata_mmoles_per_liter': Value(dtype='float64', id=None)}
              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 1542, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1156, in convert_to_parquet
                  builder.download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1027, in download_and_prepare
                  self._download_and_prepare(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1122, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1882, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 2013, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              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 2 new columns ({'pert_id', 'gene_id'}) and 2 missing columns ({'Metadata_mmoles_per_liter', 'cell_bid'}).
              
              This happened while the csv dataset builder was generating data using
              
              /tmp/hf-datasets-cache/medium/datasets/74656290791168-config-parquet-and-info-liuganghuggingface-InfoAl-fea82507/downloads/76a00af91259422aaa92e91a5550f4c0bee4d20fe602d29c07f1d55ecbe3cc33
              
              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)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

cell_bid
string
mol_id
string
smiles
string
inchikey
string
Metadata_mmoles_per_liter
float64
cb2
m25219
CNC[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C
FOLOUAULJSJVDY
4.973595
cb3
m25219
CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C
FOLOUAULJSJVDY
4.912934
cb4
m25219
CNC[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C
FOLOUAULJSJVDY
5.012874
cb16
m13874
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCc2cn(nn2)CCCC1=O
CMMUKIKJYLMGMW
5.107148
cb17
m13874
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)CCC(F)(F)F
CMMUKIKJYLMGMW
5.034691
cb18
m13874
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F
CMMUKIKJYLMGMW
4.941934
cb20
m34082
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)C1CC1
HEIBNMHSSNMFIU
5.00412
cb21
m34082
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)C1CC1
HEIBNMHSSNMFIU
4.954627
cb28
m104318
CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C
UOJDQXZVAPFQKD
5.000144
cb29
m104318
CC(C)COC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
UOJDQXZVAPFQKD
5.032085
cb30
m104318
CC(C)COC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C
UOJDQXZVAPFQKD
5.011832
cb31
m49502
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2F)OCc2cn(nn2)CCCC1=O
JYOVEVCXPRGJRX
5.018675
cb32
m49502
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F
JYOVEVCXPRGJRX
5.006231
cb33
m49502
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1F
JYOVEVCXPRGJRX
4.977088
cb34
m49502
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F
JYOVEVCXPRGJRX
4.931146
cb43
m10239
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1
BVMGYWBUQYFDAA
5.149776
cb44
m10239
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccnc1
BVMGYWBUQYFDAA
4.968992
cb50
m38344
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2ccccc2)OCc2cn(nn2)CCCC1=O
HYHIJLYQTCYSKX
4.915798
cb51
m38344
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1ccccc1
HYHIJLYQTCYSKX
4.963155
cb52
m38344
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1ccccc1
HYHIJLYQTCYSKX
4.984176
cb53
m4916
COc1ccc(S(=O)(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
AWVASGRLDZTAAI
5.066855
cb54
m4916
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
AWVASGRLDZTAAI
5.08034
cb55
m4916
COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1
AWVASGRLDZTAAI
5.03069
cb63
m3262
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=NC1CCCCC1
APDMZOWNVCUUKT
4.955348
cb64
m3262
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=NC1CCCCC1
APDMZOWNVCUUKT
4.900951
cb75
m19343
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
DMKVVNQLOZTLAB
5.129618
cb76
m19343
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
DMKVVNQLOZTLAB
5.050917
cb79
m17596
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2ccc3c(c2)OCO3)OCc2cn(nn2)CCCC1=O
DEGZSTUNWMGQCY
4.960436
cb80
m17596
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1ccc2c(c1)OCO2
DEGZSTUNWMGQCY
5.102178
cb81
m17596
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1ccc2c(c1)OCO2
DEGZSTUNWMGQCY
5.114419
cb112
m87676
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc3ccccc3c2)OCc2cn(nn2)CCCC1=O
QVHCTLOUCAXGOY
4.99183
cb113
m87676
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc2ccccc2c1
QVHCTLOUCAXGOY
5.042229
cb114
m87676
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc2ccccc2c1
QVHCTLOUCAXGOY
5.089886
cb122
m74326
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3cccnc3c2)OCc2cnnn2CCCC1=O
OLIWWUKSUJJEPA
5.061489
cb123
m74326
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc2cccnc2c1
OLIWWUKSUJJEPA
5.056791
cb132
m118392
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc3c2OCCCO3)OCc2cnnn2CCCC1=O
XBPVHNZVBFLVIV
5.078081
cb133
m118392
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc2c1OCCCO2
XBPVHNZVBFLVIV
5.137466
cb134
m118392
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1cccc2c1OCCCO2
XBPVHNZVBFLVIV
5.017247
cb144
m44422
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Oc2ccc3ccccc3c2)OCc2cn(nn2)CCCC1=O
JATGFWCPGFHVCF
4.997495
cb145
m44422
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Oc1ccc2ccccc2c1
JATGFWCPGFHVCF
5.036435
cb146
m114164
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
WIMCLPXWPPGBKL
4.974357
cb147
m114164
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Oc2cccc3ccccc23)OCc2cnnn2CCCC1=O
WIMCLPXWPPGBKL
4.995321
cb148
m114164
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12
WIMCLPXWPPGBKL
4.958227
cb149
m114164
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
WIMCLPXWPPGBKL
5.064662
cb150
m114164
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)Oc1cccc2ccccc12
WIMCLPXWPPGBKL
5.150687
cb151
m114164
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12
WIMCLPXWPPGBKL
5.11385
cb152
m117701
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cn(nn2)CCCC1=O
WYPGSQIBOYUSAK
5.034041
cb153
m117701
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
WYPGSQIBOYUSAK
5.047267
cb154
m117701
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
WYPGSQIBOYUSAK
4.980676
cb155
m29255
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cnnn2CCCC1=O
GHLJLHKVBJDFKH
5.126035
cb156
m29255
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
GHLJLHKVBJDFKH
5.038213
cb157
m29255
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(O)=Nc2cccc(Oc3ccccn3)c2)OCc2cnnn2CCCC1=O
GHLJLHKVBJDFKH
4.978223
cb158
m29255
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(O)=Nc1cccc(Oc2ccccn2)c1
GHLJLHKVBJDFKH
5.078717
cb177
m15555
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)OCc2cnnn2CCCC1=O
CUSMSBFNEHNGNQ
5.061069
cb178
m15555
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
CUSMSBFNEHNGNQ
5.133731
cb179
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@H]21
BSKZHQCAOYVBFU
5.041411
cb180
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@H]21
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4.974543
cb181
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
BSKZHQCAOYVBFU
5.02425
cb182
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
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4.956548
cb183
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@H]21
BSKZHQCAOYVBFU
5.005746
cb184
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(O)=NCC3CCCCC3)CC[C@@H]21
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4.998815
cb185
m9586
CN1C(=O)c2cc(N=C(O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(O)=NCC3CCCCC3)CC[C@H]21
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cb193
m30781
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)N(Cc3cocn3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)N(Cc3cocn3)[C@@H]21
GOSQUEMGCNFWKR
5.01289
cb194
m30781
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)N(Cc3cocn3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)N(Cc3cocn3)[C@H]21
GOSQUEMGCNFWKR
5.003229
cb195
m87694
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCOC)[C@@H]2N1Cc1nccs1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCOC)[C@@H]2N1Cc1nccs1
QVJUFKVGYWDMAL
5.050051
cb196
m87694
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCOC)[C@H]2N1Cc1nccs1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCOC)[C@H]2N1Cc1nccs1
QVJUFKVGYWDMAL
4.976527
cb199
m15883
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCOCC1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCOCC1
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m15883
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCOCC1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCOCC1
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5.047031
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m63493
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@@H]21
MMSVXHZGTZHGPG
5.068956
cb202
m63493
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC(F)(F)F)N(C(=O)c3cccnc3)[C@H]21
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4.982435
cb203
m11816
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cc(F)cc(F)c3)[C@H]2N1S(C)(=O)=O.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cc(F)cc(F)c3)[C@H]2N1S(C)(=O)=O
CCZGDERCCJEOFJ
4.993372
cb204
m40324
C/C=C/c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(O)=NCc2ccc3c(c2)OCO3)[C@H]1CO.C/C=C\c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(O)=NCc2ccc3c(c2)OCO3)[C@H]1CO
IHPZOKOAQWUWOA
5.058472
cb205
m40324
C/C=C/c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(O)=NCc2ccc3c(c2)OCO3)[C@@H]1CO.C/C=C\c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(O)=NCc2ccc3c(c2)OCO3)[C@@H]1CO
IHPZOKOAQWUWOA
5.005379
cb208
m75157
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1S(=O)(=O)c1cccc(C)c1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1S(=O)(=O)c1cccc(C)c1
OPJCSXFNIRQLBQ
4.970894
cb209
m75157
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1S(=O)(=O)c1cccc(C)c1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1S(=O)(=O)c1cccc(C)c1
OPJCSXFNIRQLBQ
5.046707
cb210
m33105
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3cccc(OC)c3)N[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3cccc(OC)c3)N[C@@H]21
GZTMFBFGJVKLKE
5.004025
cb211
m33105
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cccc(OC)c3)N[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3cccc(OC)c3)N[C@H]21
GZTMFBFGJVKLKE
5.003749
cb214
m61000
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1S(=O)(=O)c1cn(C)cn1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1S(=O)(=O)c1cn(C)cn1
MAYPJGPMDPCVRU
5.013725
cb215
m61000
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1S(=O)(=O)c1cn(C)cn1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1S(=O)(=O)c1cn(C)cn1
MAYPJGPMDPCVRU
4.994823
cb216
m65679
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccc(F)cc1
MWRJRRDCKGAZGY
5.025057
cb217
m65679
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccc(F)cc1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccc(F)cc1
MWRJRRDCKGAZGY
4.997863
cb218
m17434
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)[C@@H]2N1Cc1cccc(Cl)c1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)[C@@H]2N1Cc1cccc(Cl)c1
DDLCGIHGNSZQJS
5.013044
cb219
m17434
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)[C@H]2N1Cc1cccc(Cl)c1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)[C@H]2N1Cc1cccc(Cl)c1
DDLCGIHGNSZQJS
5.009739
cb220
m5891
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@@H]21
BBJDFTMDCDCETN
4.980708
cb221
m5891
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC)N(Cc3ccccc3Cl)[C@H]21
BBJDFTMDCDCETN
5.044683
cb222
m38021
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(CCc3ccccc3)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(CCc3ccccc3)[C@@H]21
HWXVAOXZBVDFCJ
4.999661
cb223
m38021
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)N(CCc3ccccc3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)N(CCc3ccccc3)[C@H]21
HWXVAOXZBVDFCJ
4.994211
cb224
m115136
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCc3cn(C)cn3)[C@@H]2N1C(=O)CC.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCc3cn(C)cn3)[C@@H]2N1C(=O)CC
WMZNZTBMFPTLSB
5.007921
cb225
m115136
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCc3cn(C)cn3)[C@H]2N1C(=O)CC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCc3cn(C)cn3)[C@H]2N1C(=O)CC
WMZNZTBMFPTLSB
5.015007
cb226
m64942
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC3CCCCC3)[C@@H]2N1C(C)=O.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCC3CCCCC3)[C@@H]2N1C(C)=O
MTFSLJXEIRKOKM
5.013939
cb227
m64942
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC3CCCCC3)[C@H]2N1C(C)=O.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCC3CCCCC3)[C@H]2N1C(C)=O
MTFSLJXEIRKOKM
5.006081
cb230
m59020
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@@H]21.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@@H]21
LROWCOSISYCRIQ
5.047529
cb231
m59020
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=Nc3nccs3)N(Cc3cc(F)ccc3F)[C@H]21
LROWCOSISYCRIQ
5.007773
cb232
m84316
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)[C@@H]2N1C(O)=Nc1cc(F)ccc1F.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCCC)[C@@H]2N1C(O)=Nc1cc(F)ccc1F
QFZYXZULAIJTQK
4.993766
cb233
m84316
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)[C@H]2N1C(O)=Nc1cc(F)ccc1F.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCCC)[C@H]2N1C(O)=Nc1cc(F)ccc1F
QFZYXZULAIJTQK
4.998789
cb234
m37932
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1C(=O)c1ccccn1.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NC3CCC3)[C@@H]2N1C(=O)c1ccccn1
HWNQSPGDBFKSOQ
5.005149
cb235
m37932
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1C(=O)c1ccccn1.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NC3CCC3)[C@H]2N1C(=O)c1ccccn1
HWNQSPGDBFKSOQ
5.058564
cb238
m29024
C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3ccc(F)cc3)[C@@H]2N1CCC.C/C=C\c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(O)=NCc3ccc(F)cc3)[C@@H]2N1CCC
GGIDMMYQUXUKCO
5.034635
cb239
m29024
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3ccc(F)cc3)[C@H]2N1CCC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=NCc3ccc(F)cc3)[C@H]2N1CCC
GGIDMMYQUXUKCO
5.018146
cb242
m86093
C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=N[C@@H](C)c3ccccc3)[C@H]2N1CC.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(O)=N[C@@H](C)c3ccccc3)[C@H]2N1CC
QNYIUHHVJKFROO
4.963266
End of preview.