chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL4553571
|
[C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][#Branch2][C][=N][N][Ring1][P][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2]
|
CHEMBL4553572
|
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][N][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1]
|
CHEMBL4553573
|
[C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][C][=C][Ring1][=C][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch2]
|
CHEMBL9304
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][N][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O]
|
CHEMBL9387
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][=N]
|
CHEMBL1163268
|
[C][C@][Branch1][C][O][C][C@][C][C][C@@H1][C@@][Branch1][C][C][Branch1][N][C@H1][Ring1][#Branch1][C][=C][C@@H1][Ring1][=N][C][Ring1][O][C@H1][Branch1][C][O][C][C][C@@][Ring1][=N][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL9523
|
[C][C][C][C][C][/C][=C][/C][/C][=C][/C][/C][=C][/C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9582
|
[C][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL4553574
|
[C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch1][#C][=N][/C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL4553575
|
[C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][=C][C][=N][N][Ring2][Ring1][Branch1][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2]
|
CHEMBL4553576
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4553577
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][#C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL9583
|
[C][=C][C][Branch1][#Branch2][S][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL9584
|
[C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9585
|
[C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=C][Ring1][=N][NH1][Ring1][S][=C][Ring2][Ring1][=Branch2][C]
|
CHEMBL9261
|
[O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9342
|
[C][=C][C][N][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9343
|
[C][O][C][=C][C][Branch2][Ring1][#C][C][=C][S][C][Branch2][Ring1][Ring2][N][N][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][Ring1][N][C][=N][Ring2][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL9344
|
[O][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Branch1][C][O][C][Ring1][P][O]
|
CHEMBL9363
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL9365
|
[C][/C][=C][\O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][C@H1][Ring1][Branch2][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL9367
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9368
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9388
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL9389
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][/C][=C][/I]
|
CHEMBL1163295
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL9476
|
[C][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL1163271
|
[O][=C][S][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][P][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL9533
|
[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][N][Branch1][C][C][O]
|
CHEMBL9592
|
[C][C][=C][N][Branch2][Ring2][#Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][O][=O]
|
CHEMBL9593
|
[C][C][C][C][C][C][N][Branch1][C][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL9594
|
[C][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][C][C][C][C][C][Ring1][O][=N][Ring1][S]
|
CHEMBL9595
|
[C][C][=C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
CHEMBL9345
|
[F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9347
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][C][N][C][C][C][Branch1][P][N][N][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S]
|
CHEMBL9429
|
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL9430
|
[C][O][C][=C][N][=C][Branch2][Ring1][O][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL9432
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][S][C][C][N][C][=N][S+1][Branch1][C][O-1][N][=C][Ring1][=Branch1][N][NH1][Ring1][P]
|
CHEMBL9455
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][C][C][N][C][C][C][Branch2][Ring1][N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL9456
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL9457
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=C][Branch1][C][/S][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9477
|
[C][C][N][C@H1][Branch1][N][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][Ring1][S]
|
CHEMBL9478
|
[C][C][C][C][C][C][Branch2][Ring1][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][C][C][C][Ring2][Ring1][O][=O]
|
CHEMBL9479
|
[C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][C][=C][Ring1][O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring1][P]
|
CHEMBL9214
|
[C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL9587
|
[C][C][N][Branch1][Ring1][C][C][C][=C][Branch2][Ring1][S][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL9588
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL9589
|
[C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C][=N][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL4553657
|
[C][C][Branch1][S][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][F][N][C][=N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][Ring1][#C]
|
CHEMBL4553658
|
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][O][=N][Ring2][Ring1][S]
|
CHEMBL3309457
|
[O][=C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL9433
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][O][P][=Branch1][C][=O][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][P].[Cl]
|
CHEMBL9434
|
[C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL9166
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL9167
|
[O][=C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Ring1][O][C][Branch1][C][O][=C][Ring1][S][Ring2][Ring1][O]
|
CHEMBL9168
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][/C][=C][/C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C]
|
CHEMBL9169
|
[C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][N][C][Ring1][S][=O]
|
CHEMBL472
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9191
|
[C][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Ring1][=N][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL9192
|
[C][C@@][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][O][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL9194
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL3301648
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][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][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=C][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][S][C][N][C][Ring2][Ring1][=C][=O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O]
|
CHEMBL9217
|
[O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][=C][Branch1][#Branch2][C][C][C][C][C][C@@H1][Ring1][=Branch1][O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][#Branch2][Ring1][#C]
|
CHEMBL9219
|
[N][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL9306
|
[O][=C][Branch1][C][O-1][C@H1][/C][=Branch1][Ring2][=C][/C][O][O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][Ring1][O].[Li+1]
|
CHEMBL9308
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL9591
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][C][N][C][C][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL9531
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][O]
|
CHEMBL9532
|
[C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL3309459
|
[O][=C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O]
|
CHEMBL9170
|
[C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N][C][N][C][Ring1][P][=O]
|
CHEMBL4303151
|
[O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL9262
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch1][O][Ring1][N]
|
CHEMBL9263
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][=C][Ring2][Ring1][S].[Cl]
|
CHEMBL9266
|
[C][C][C][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL3309543
|
[C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
CHEMBL9195
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][S][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring2][Ring2][C]
|
CHEMBL9287
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=C]
|
CHEMBL9288
|
[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL3309312
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P]
|
CHEMBL9309
|
[C][O][C][=C][C][=C][Branch1][C][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1]
|
CHEMBL9311
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL4553708
|
[O][C][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=N][NH1][C][Ring1][Branch1][=N][Ring1][P]
|
CHEMBL4553709
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][C][N][C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][C@@][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL4553710
|
[O][=C][Branch1][P][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL4553711
|
[C][C][=C][C][Branch2][Ring2][Ring1][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][C][Cl][=N][Ring2][Ring1][=C]
|
CHEMBL9390
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
|
CHEMBL9391
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O]
|
CHEMBL9586
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][=N][Ring1][N][Ring2][Ring1][#Branch2]
|
CHEMBL9524
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL9526
|
[C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][P][=Branch1][C][=O][Branch2][Ring1][=C][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][N][=N+1][=N-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9528
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch2][Ring1][Ring1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][#Branch2][C][Ring1][#C][=N][Ring2][Ring1][Ring2]
|
CHEMBL1163270
|
[C][C@H1][Branch1][C][O][C@H1][O][C@H1][Branch2][Ring2][=C][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][N][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C@@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Ring1][O]
|
CHEMBL479
|
[C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2]
|
CHEMBL1163266
|
[N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][S][C][C][O][=C][Branch1][Branch1][S][C][C][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL9348
|
[C][C][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL9349
|
[O][=C][Branch2][Ring2][P][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][C@H1][Branch2][Ring1][#Branch2][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL9289
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][NH1][C][=Ring2][Ring1][=N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][Branch1][=O]
|
CHEMBL4559935
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=O][C][=C][Ring1][=C]
|
CHEMBL4559936
|
[O][=C][Branch2][Branch1][C][N][C][=C][C][Branch2][Ring2][Branch1][C][=C][N][Branch2][Ring1][#Branch2][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][N][=N][Ring2][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O]
|
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