chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL18632
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][=C][Ring2][Ring1][C]
|
CHEMBL18633
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]
|
CHEMBL18634
|
[C][C][C][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][O][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18561
|
[C][C][C][C][O][C][C][N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL18562
|
[N][=C][Branch1][C][N][N][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][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][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][Ring2][Ring1][P][=O]
|
CHEMBL18563
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][P]
|
CHEMBL18564
|
[C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL19223
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][C][C][C][=C][C][=N][C][Branch1][#Branch1][N][C][C][C][C][N][=C][Ring1][N][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL19224
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL18947
|
[C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL18948
|
[N][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][C][C@H1][Ring1][#C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL3310432
|
[C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Br][C][=C][Ring1][#C][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O]
|
CHEMBL19152
|
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][O][Ring1][N][C][=C][C][=C][Branch1][=Branch2][O][C@H1][C][C][N][C][Ring1][Branch1][C][=C][Ring1][N]
|
CHEMBL19235
|
[S][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][C][N][Ring2][Ring1][Ring2][Ring1][Branch1]
|
CHEMBL19236
|
[C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL19237
|
[C][N][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2]
|
CHEMBL19238
|
[C][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][N][Ring1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL19239
|
[C][C@H1][Branch2][#Branch1][Ring1][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][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL19240
|
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O]
|
CHEMBL18635
|
[O][=C][Branch2][Ring1][=C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL18636
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][S][C][=Ring1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL18720
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][C][C][#N]
|
CHEMBL18721
|
[C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18723
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C]
|
CHEMBL18652
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL18653
|
[C][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
CHEMBL18654
|
[C][Si][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][Ring1][Ring2]
|
CHEMBL18655
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18656
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1]
|
CHEMBL18949
|
[C][C][C][C][Branch1][Ring1][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18950
|
[C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL18951
|
[C][C][=C][C][Branch2][Ring1][O][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][C][#N]
|
CHEMBL19035
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][C][C][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Ring1][#C][Ring1][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL3310433
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][/C][=C][\S][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][=C][Ring1][P][Br]
|
CHEMBL19241
|
[C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1]
|
CHEMBL18972
|
[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
|
CHEMBL18973
|
[C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL18974
|
[C][O][C][=C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][C][O][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL18975
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18724
|
[C][C][Branch1][C][C][C][N][C][=N][C][Branch1][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][=C]
|
CHEMBL18725
|
[C][N][C][Branch1][C][C][Branch1][C][C][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Branch1][C][C][=O]
|
CHEMBL18809
|
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18810
|
[C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][O][C][C][Ring1][P]
|
CHEMBL18811
|
[N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][C][C][C][Ring1][S]
|
CHEMBL18657
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][P][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2]
|
CHEMBL18742
|
[C][C][#C][C][O][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL18744
|
[C][C][Branch1][C][C][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][=Branch1][O][=N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C][=O]
|
CHEMBL18745
|
[C][C][C][C][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][=Branch1][O][=N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C][=O]
|
CHEMBL18746
|
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL19036
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL1163501
|
[C][C][Branch1][C][C][=C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
|
CHEMBL19039
|
[C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1][C][Ring2][Ring1][Branch1]
|
CHEMBL33593
|
[Br].[Br].[C][C][C][C][C][C][C][C][N][=C][C][=C][N][Branch2][Ring1][S][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][C][C][C][=C][Ring1][#C][C][=C][Ring2][Ring1][P]
|
CHEMBL19129
|
[C][S][C][C][=C][N][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][#C][C][=Branch1][C][=O][O]
|
CHEMBL4434737
|
[C][N][C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL4434738
|
[C][O][C][=C][C][Branch2][Branch1][C][/C][=C][/C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][S][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][O][C][C][N][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][C][Ring2][Ring1][Branch2][=O][=C][C][=C][Ring2][Ring2][Branch1][O][C][C][C][C][C][O][N+1][=Branch1][C][=O][O-1]
|
CHEMBL4434739
|
[C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4434740
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring2][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL4434741
|
[C][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][Branch1][Branch2][C][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][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][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][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][C][=C][C][=C][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][S][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][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][N][=O][C][Branch1][C][C][C]
|
CHEMBL4434742
|
[C][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch2][Branch1][#Branch1][O][C][C][=C][N][Branch2][Ring2][#Branch2][C][C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring2][C][C][=C][C][=C][C][=C][C][=C][Ring2][Ring2][=C][Ring1][=Branch1].[Cl].[Cl]
|
CHEMBL3310435
|
[C][O][C][=C][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][=N][/C][=C][\S][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL19246
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][NH1][C][Branch1][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18977
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][C][C][#N]
|
CHEMBL18978
|
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL18979
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18980
|
[C][C@@H1][N][C][C][C@H1][Ring1][Branch1][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18981
|
[C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL18812
|
[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][O][Ring1][Branch2]
|
CHEMBL18813
|
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][C][C][#N]
|
CHEMBL18814
|
[C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2]
|
CHEMBL4434765
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][O][Ring1][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][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][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@@H1][Branch1][C][C][O]
|
CHEMBL4434766
|
[C][=C][C][C][=C][C][Branch2][Ring1][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][#Branch2][O]
|
CHEMBL4434767
|
[C][C][Branch1][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][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][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O]
|
CHEMBL4434768
|
[O][=C][C][=C][Branch2][Ring1][=C][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
|
CHEMBL4434769
|
[C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][N][C][C][=N][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL18905
|
[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
CHEMBL18747
|
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL18831
|
[C][C][C][Branch1][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL18832
|
[C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][O][Ring2][Ring1][Ring2]
|
CHEMBL18833
|
[C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL18834
|
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL19130
|
[C][N][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][N]
|
CHEMBL19131
|
[C][N][C][Branch1][C][N][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL19133
|
[N][#C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL19134
|
[C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
CHEMBL3310706
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][O][N][Ring1][#C][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C]
|
CHEMBL19061
|
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL19153
|
[Cl][C][=N][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][Branch2]
|
CHEMBL19154
|
[C][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL19155
|
[O][=C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL19156
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18908
|
[C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL18909
|
[C][C][C][Branch1][Ring1][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18910
|
[C][C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2]
|
CHEMBL18637
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][/C][=C][/C@H1][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][/C][=C][/C][=C][\C][C][=Branch1][C][=O][O][C]
|
CHEMBL18638
|
[C][C][Branch1][C][C][C][C][Branch1][C][O][C][N]
|
CHEMBL18639
|
[C][C][Branch1][C][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL18835
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][Branch1][=N][S+1][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18565
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][S][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18566
|
[C][C@H1][Branch1][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][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
|
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