chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL7545
|
[C][C][C][C][Branch1][C][O][C][=C][C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][S][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL7546
|
[C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][S+1][Branch1][C][O-1][=Branch2][Ring1][=Branch2][=N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL1163181
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C@@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C@@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][=Branch1]
|
CHEMBL4553648
|
[N][#C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch2]
|
CHEMBL7547
|
[N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P]
|
CHEMBL7476
|
[C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][C][C][C@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1]
|
CHEMBL7477
|
[C][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][Br][=C][Ring1][#Branch1][O][C][C][O][Ring1][=Branch2]
|
CHEMBL7478
|
[C][C][C][C][C][=N][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][N][Ring1][#Branch2][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]
|
CHEMBL7563
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][C@H1][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][F][C][=C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL7564
|
[C][C][=C][C][Branch2][Ring2][=N][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][#C]
|
CHEMBL7860
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2]
|
CHEMBL7948
|
[C][C][C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][S][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL7949
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL7950
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL3310815
|
[C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310817
|
[C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL7605
|
[C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O]
|
CHEMBL7606
|
[C][=C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][O][Ring1][Branch1]
|
CHEMBL7607
|
[O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][Ring2][Ring1][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL7608
|
[O][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][=Branch2]
|
CHEMBL7609
|
[C][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][/C][Branch1][C][C][=C][\C][=C][C][=C][Branch2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C][Branch1][C][O][=C][Ring2][Ring1][C][C@@H1][Branch1][C][O][C@@H1][O][C][O][C@@H1][Ring1][Branch1][Ring2][Ring2][Ring1]
|
CHEMBL7610
|
[C][O][C][=C][C][=C][Branch2][#Branch1][Ring1][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Branch1][=Branch2]
|
CHEMBL3310937
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][N][Branch2][Ring2][=N][C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][P][=Branch1][C][=O][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring2][Ring1]
|
CHEMBL7629
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL7630
|
[C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O]
|
CHEMBL7632
|
[C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
|
CHEMBL7633
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@H1][Branch1][Ring1][C][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][C][=O]
|
CHEMBL7634
|
[O][=C][C][C][C][N][Ring1][Branch1][C][C][#C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL7566
|
[C][C][Branch1][C][C][Branch2][Ring2][Ring1][C][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][Cl][C][=Branch1][C][=O][O]
|
CHEMBL7567
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=C][Ring2][Ring1][Ring2]
|
CHEMBL7652
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][C@H1][Branch1][C][C][C][Ring1][S][O][C][O][C][O][Ring1][=Branch1]
|
CHEMBL7951
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][S][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL7682
|
[C][C@][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][C][Ring1][#C][C][C][C@@][Ring2][Ring1][C][Branch1][C][O][C][#C][C][C][Br]
|
CHEMBL7683
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7684
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310820
|
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310826
|
[C][O][C][=C][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL7346
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL1163171
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][=Branch1][C][=O][C][Cl]
|
CHEMBL7347
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
CHEMBL7348
|
[C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][N][=O]
|
CHEMBL7433
|
[O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][C][C@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring1][#Branch2][Ring1][#Branch1]
|
CHEMBL3310946
|
[C][O][C][=C][C][Branch2][Ring1][C][/C][=N][/N][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C].[Cl]
|
CHEMBL7367
|
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1]
|
CHEMBL7368
|
[C][C][=C][C][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][C][=C][NH1][Ring1][Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][S][=C][Ring2][Ring1][Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][=N]
|
CHEMBL7369
|
[C][C][C][C][C][=N][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
|
CHEMBL7370
|
[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][P]
|
CHEMBL3142657
|
[C][C][=Branch1][C][=O][O][C][C][Branch1][=N][O][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][Ring2][Branch1][C][C][C]
|
CHEMBL7653
|
[C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL7654
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL7655
|
[C][=C][C][C][O][C][=C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][P][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2]
|
CHEMBL7390
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][O]
|
CHEMBL7685
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2]
|
CHEMBL7686
|
[Cl][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL1782170
|
[O][=C][C][C][=C][Branch1][#C][NH1][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1]
|
CHEMBL7775
|
[C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O]
|
CHEMBL1163188
|
[C][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL3310831
|
[C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Ring1][#Branch2][C][=C][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL4553712
|
[C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][C][C][C][Branch1][Ring2][C][C][O][C][Ring1][=Branch2]
|
CHEMBL4553713
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][Branch1][C][C][=C][C][Branch2][Ring2][#Branch1][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][N][C][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL4553714
|
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][O][C][=C][C][=C][N+1][Branch2][Ring1][Branch2][C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][P]
|
CHEMBL7434
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][P]
|
CHEMBL1163176
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7435
|
[C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][Branch1][C][C][C][=C][Ring1][S]
|
CHEMBL7436
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][P][O][C][C][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][C][=Ring1][S][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL7527
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1]
|
CHEMBL3310953
|
[C][O][C][=C][C][Branch1][S][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][O]
|
CHEMBL7371
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL7455
|
[C][C][C@H1][N][C][=C][C][=N][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring1][#C][C][C@@H1][Ring2][Ring1][Ring1][C]
|
CHEMBL7456
|
[C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL7457
|
[O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL7458
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N]
|
CHEMBL7459
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
|
CHEMBL7391
|
[C][C][=C][Branch1][#C][N][C][C][C@@H1][Branch1][=Branch1][C@H1][Branch1][C][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@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][N][=Ring1][=C]
|
CHEMBL7393
|
[C][C][C][N][C][C][C][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N]
|
CHEMBL1163172
|
[C][C][=C][Branch2][Ring1][N][C][C][C@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C][C@][Ring2][Ring2][=Branch2][Branch1][C][C][C@H1][Ring2][Ring2][=C][C][C][C@][Ring2][Branch1][C][Branch1][C][C][C@@H1][Ring2][=Branch1][#Branch2][Ring2][Branch1][=Branch1]
|
CHEMBL7394
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P]
|
CHEMBL7480
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][Ring2][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL7776
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL7777
|
[C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL7861
|
[O][=C][Branch2][Ring1][Branch2][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7862
|
[C][C][Branch1][C][C][Branch2][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL7863
|
[C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O]
|
CHEMBL3310841
|
[C][O][C][=N][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][N][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL3310845
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][N]
|
CHEMBL7528
|
[C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][P]
|
CHEMBL7529
|
[C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL4553144
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=N][N][Branch2][Ring2][Ring2][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][Cl]
|
CHEMBL4553145
|
[C][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch2][Ring1][Branch2][C][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][O]
|
CHEMBL4553146
|
[C][O][C][=C][C][Branch2][Branch1][#Branch1][C@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O][C][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring2][Ring2][=Branch2]
|
CHEMBL4553147
|
[C][/C][=Branch1][Branch2][=N][\N][C][=Branch1][C][=N][N][C][S][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][#C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][=N][C][=Ring2][Ring1][Ring2][C]
|
CHEMBL4553148
|
[C][C][Branch1][C][O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL4553149
|
[N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4553150
|
[C][C][=Branch1][C][=O][N][C@H1][Branch2][=N][#Branch2][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][O][=N][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][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][Branch1][O][C][C][N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][=Branch1][C][C][C][C][N][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][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][S][C@@H1][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][S]
|
CHEMBL4553151
|
[C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=C][N][=C][Branch1][C][N][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch1]
|
CHEMBL432
|
[N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL7531
|
[O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL3310962
|
[C][O][C][=C][C][Branch2][Ring1][Branch1][/C][=N][/N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O].[Cl]
|
CHEMBL3310980
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL7460
|
[C][#Branch1][#Branch2][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
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