chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL15142
|
[N][C][C][C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][Ring2][Ring1][=Branch2]
|
CHEMBL15226
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
CHEMBL4543325
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O]
|
CHEMBL4543326
|
[O][=C][Branch2][Ring1][=N][C][C][=N][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][Ring1][Branch2][C][=Ring1][#C][N][C][C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O]
|
CHEMBL4543327
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][=N][=C][\C][=C][C][=C][Branch2][Ring1][C][S][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][O][Ring1][S][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL14898
|
[C][C][/C][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL14628
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL14629
|
[C][C][O][P][=Branch1][C][=O][Branch1][C][O][C][C][Branch2][Ring1][C][O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][Branch1][C][C][O]
|
CHEMBL14630
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][N][N][N][=C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][=Branch2][Cl]
|
CHEMBL14631
|
[C][C][Branch1][C][C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL539453
|
[C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15177
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL15179
|
[C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15180
|
[C][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C][N][Ring2][Ring1][=N]
|
CHEMBL15182
|
[O][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543338
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][O][N][C][=C][C][Branch1][C][N][=N][Ring1][=Branch1][C][Ring1][O]
|
CHEMBL4543339
|
[C][O][C][C][S][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
CHEMBL4543340
|
[C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=N][N][Ring1][#C][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL4543341
|
[C][C][NH1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][Branch1][O][C][C][O][=C][Ring1][O]
|
CHEMBL4543342
|
[C][N][C][C][C][Branch2][Ring2][=C][C][N][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][C][=C][Branch1][Branch2][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][C][C][C][C][O][Ring1][#Branch2][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][S]
|
CHEMBL4543343
|
[C][O][C@H1][C][C@H1][Branch2][Ring2][=C][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][=C][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch2][O][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][S][O][C@@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][C][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][Ring1][#Branch2][C@@H1][Branch1][C][C][O][Ring2][Ring1][Ring2]
|
CHEMBL4543344
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][N][C][=C][N][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][=C][N][Ring1][P][Ring1][=C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL15202
|
[C][O][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL15204
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring2][#Branch2]
|
CHEMBL15205
|
[O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][N][=N][NH1][N][=Ring1][Branch1]
|
CHEMBL15206
|
[C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1]
|
CHEMBL15209
|
[C][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][O][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring2][Ring2][C][C][Branch1][C][O][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][=C][O][Ring2][Ring1][N]
|
CHEMBL15287
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S][Ring2][Ring1][Branch2]
|
CHEMBL15372
|
[C][C][O][C][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=Ring1][=N]
|
CHEMBL15373
|
[N][C][C][C][N][Branch2][Ring2][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch2]
|
CHEMBL15374
|
[C][O][C][=C][C][=C][Branch2][Branch1][N][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL15375
|
[C][C][C][C][/C][=Branch2][Ring1][C][=N][\N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL15376
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][C][N][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][C@H1][C@H1][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][=C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][=C][N][=C][Ring2][Ring2][Ring2][N][Branch1][Ring1][C][C][C][C].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL15377
|
[C][=C][Branch2][Ring1][N][C][=C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15459
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2]
|
CHEMBL15393
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4543345
|
[C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][Ring2][Ring1][C]
|
CHEMBL15395
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C][C][C]
|
CHEMBL15396
|
[N][C][Branch2][Ring1][P][C][C][=C][C][Branch1][C][I][=C][Branch1][#C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL15478
|
[C][C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15159
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][Branch1][C][C][C][C][O][C]
|
CHEMBL15160
|
[C][C][Branch1][C][C][O][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][Br]
|
CHEMBL15161
|
[C][C][C][C@H1][Branch2][Branch1][Branch2][C][S][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
|
CHEMBL557
|
[N][C@H1][Branch2][Ring1][P][C][C][=C][C][Branch1][C][I][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL3310237
|
[C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL15353
|
[C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][N][Ring2][Ring1][Branch2]
|
CHEMBL15354
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S][=O][C][=C][Ring2][Ring1][=C]
|
CHEMBL15437
|
[C][C][=Branch1][C][=O][O][C][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][S][Ring1][O][=Branch1][C][=O][=O]
|
CHEMBL15438
|
[C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15460
|
[C][C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15461
|
[C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][Cl][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15462
|
[O][=C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S][=O][C][=C][Ring2][Ring1][=C][N][Ring2][Ring2][C]
|
CHEMBL3310136
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL4543205
|
[O][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][C][C][O]
|
CHEMBL15480
|
[C][C][O][C][=C][Branch1][#C][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][C][Ring1][Branch2][C][Branch1][C][F][=C][Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][O][=Ring1][=N]
|
CHEMBL15481
|
[O][=C][Branch1][C][O-1][C][C][S][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1].[Na+1]
|
CHEMBL15482
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=N]
|
CHEMBL15559
|
[C][C][C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][Ring1][=Branch2].[Na+1]
|
CHEMBL15251
|
[C][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15252
|
[S][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15253
|
[C][C@H1][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][=C][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL14989
|
[C][=C][Branch2][Ring1][#C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15516
|
[C][=C][Branch2][Ring1][#C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15517
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310101
|
[C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL15535
|
[C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15536
|
[C][C][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][N][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][Cl][C][C][Branch1][C][C][N][Ring2][Ring1][O]
|
CHEMBL15537
|
[C][O][C][O][C]
|
CHEMBL15538
|
[C][N][C][C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1]
|
CHEMBL15539
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL15540
|
[C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C]
|
CHEMBL15541
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][C][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][C][Ring1][#Branch2][=C][Ring1][#C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL15560
|
[O][C][Branch2][Ring1][O][C][C][C][N][C][C][N][Branch1][=C][C][=N][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL15562
|
[C][=C][N][=C][N][=C][Ring1][=Branch1]
|
CHEMBL15563
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=N]
|
CHEMBL15564
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL15565
|
[C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C]
|
CHEMBL15649
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL14990
|
[C][C][O][C][=C][Branch1][O][N][C][C][C][Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch2][=Ring1][=N]
|
CHEMBL14991
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][=C][O][C]
|
CHEMBL14992
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][=C][O][C]
|
CHEMBL14993
|
[C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][O][=N][Ring1][N]
|
CHEMBL15082
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
CHEMBL15518
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15519
|
[C][C][C][C][C][N][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL15665
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL15667
|
[C][C][=Branch1][C][=O][O][C][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][O][=Branch1][C][=O][=O]
|
CHEMBL15627
|
[C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1]
|
CHEMBL15628
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL15629
|
[C][O][C][=C][C][=C][Branch2][=Branch1][P][C][C][C][Branch2][=Branch1][C][C@H1][N][C][=Branch1][C][=O][/C][=Branch1][Branch2][=C][/N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][N][C][C][C][N][C][N][C][Ring2][Ring2][#Branch1][=O][N][=C][Branch1][C][N][N][Ring2][Ring2][#C][C][=C][Ring2][Branch1][Branch1][O][C]
|
CHEMBL15630
|
[C][C][C][Branch1][C][C][N][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL15632
|
[C][=C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1][B][O][C][C][C][C][C][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@@][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N]
|
CHEMBL15633
|
[C][N][C][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2]
|
CHEMBL15378
|
[C][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=N][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][O][=N][Ring1][N]
|
CHEMBL15650
|
[N][C][C][Branch1][C][Cl][C][O][N]
|
CHEMBL15651
|
[C][/C][=C][/C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N]
|
CHEMBL15652
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15653
|
[C][C][=C][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][N]
|
CHEMBL15654
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL15397
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1]
|
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