chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL6588
|
[C][C][O][C][=N][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2]
|
CHEMBL6589
|
[C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch1][=Ring1][#Branch1].[Cl]
|
CHEMBL6590
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL6591
|
[C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][N][=C][Ring1][#Branch1]
|
CHEMBL3310072
|
[C][O][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1]
|
CHEMBL6970
|
[N][C][=N][C][Branch1][C][N][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
|
CHEMBL6971
|
[N][C][=N][C][Branch1][C][N][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S]
|
CHEMBL7056
|
[F][C][=C][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][N][=C][Ring1][S][Ring1][N]
|
CHEMBL7057
|
[C][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][Ring1][=Branch1][F]
|
CHEMBL7058
|
[C][C@@H1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][C@@H1][Ring2][Ring1][Ring1][C]
|
CHEMBL3310160
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=N][N][Ring1][S][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][=N]
|
CHEMBL6898
|
[C][C][Branch1][C][C][N][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Ring1][N][O]
|
CHEMBL6634
|
[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][S][S][C][Ring2][Ring1][#Branch1]
|
CHEMBL6635
|
[C][C][O][C@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][Branch1][Branch1][C@H1][Ring1][#C][C][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C]
|
CHEMBL6636
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL3310271
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C][C@H1][Branch1][Ring1][C][O][C@H1][Ring1][#Branch1][O]
|
CHEMBL3310277
|
[N][#C][C][Branch2][Ring2][=Branch2][C][=C][C][Branch1][Ring2][C][C][O][=C][C][Branch2][Ring1][Branch2][C][=C][C][=N][C][NH1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N][=Ring1][=Branch2][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL3310287
|
[C][C@H1][Branch1][C][O][C][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=N][C][NH1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N][=Ring1][=Branch2][=C][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring2][Ring1][Branch2]
|
CHEMBL6655
|
[C][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][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL6656
|
[N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2]
|
CHEMBL6657
|
[C][C][C][C][C][C][N][=C][Branch1][C][N][C][Ring1][#Branch1]
|
CHEMBL6659
|
[C][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][I][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL6660
|
[C][C][=C][C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][#Branch1][Cl]
|
CHEMBL3309965
|
[C][O][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][=C][O][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Cl][C][Branch1][C][F][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL6676
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL6677
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C@@H1][Ring2][Ring1][Ring1][O]
|
CHEMBL6680
|
[C][C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl]
|
CHEMBL14
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][Branch1][C][N][=O].[Cl-1]
|
CHEMBL3310076
|
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Branch2]
|
CHEMBL7039
|
[O][=C][Branch2][Ring2][Ring2][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][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
|
CHEMBL4116161
|
[C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1163156
|
[O][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][O]
|
CHEMBL7041
|
[C][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL7130
|
[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL7131
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310512
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL3310517
|
[C][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Ring1][=C][=N][Ring2][Ring1][C]
|
CHEMBL7597
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Branch1][C][Br][Br][C@H1][Ring1][Branch2][S][C][Ring1][#C].[Na+1]
|
CHEMBL7598
|
[C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL436
|
[C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=S][N][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL1163169
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][=C][Branch1][C][N][N]
|
CHEMBL7329
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][#Branch1][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL3310643
|
[C].[C][C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][#Branch2][O][C][C][C][C][C][C][C][C][C@@H1][Branch1][Ring1][O][C][O][C@H1][Branch2][=C][=Branch2][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][N][#C][C@H1][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][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][N][C][Branch1][C][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C@H1][Ring2][#Branch2][#Branch1][O]
|
CHEMBL3310644
|
[C][O][C][=C][C][=C][Branch2][#C][#C][C][O][C@H1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][O][C@@H1][Ring1][N][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][N][#C][C@H1][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][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][N][C][Branch1][C][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C][=C][Ring2][#Branch2][#Branch2]
|
CHEMBL3310645
|
[C][C][O][C@@H1][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][O][C@H1][Branch2][=C][=Branch2][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][N][#C][C@H1][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][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][N][C][Branch1][C][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C@H1][Ring2][=Branch2][S][O]
|
CHEMBL7083
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL7084
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][#C][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL7085
|
[C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2]
|
CHEMBL7086
|
[N][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N]
|
CHEMBL7177
|
[C][C][C@@H1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][Ring2][Ring1][Ring1]
|
CHEMBL3310714
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][=C][Ring1][N][C][Ring1][#C][Branch1][C][C][O].[Cl]
|
CHEMBL7020
|
[F][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][C][Ring1][N][=C][Ring1][S]
|
CHEMBL1163152
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N]
|
CHEMBL7022
|
[Cl][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL7108
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@H1][Ring1][O][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL7109
|
[O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][#C]
|
CHEMBL446
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C]
|
CHEMBL3310373
|
[O][=C][Branch2][Ring1][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL7132
|
[C][C@@H1][Branch1][C][N][C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][O][C][Ring1][S][=Ring1][Branch1].[Cl]
|
CHEMBL7133
|
[N][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][N]
|
CHEMBL7134
|
[N][C][=N][C][Branch1][C][N][=C][C][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL7135
|
[O][=N+1][Branch1][C][O-1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring1][=N][C][C][O]
|
CHEMBL7219
|
[C][C][C][=N][N][=C][C][Branch1][Branch2][N][C][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][#C]
|
CHEMBL21
|
[N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL7220
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][=C][N][Ring1][O][C]
|
CHEMBL3310520
|
[C][O][C][=C][Branch1][C][I][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][Ring1][#Branch1]
|
CHEMBL3310527
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
CHEMBL7330
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL7332
|
[C][=C][C][O][C][=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][Ring1][P]
|
CHEMBL7416
|
[C][C][=C][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][O][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL7417
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL1163174
|
[C][C@@H1][Branch2][Branch2][S][C][C][C@@][Branch1][C][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][=Branch1][C@@H1][Ring2][Branch1][#Branch2][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]
|
CHEMBL7178
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][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][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL7179
|
[C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C]
|
CHEMBL7181
|
[C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][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][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL3310724
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][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][=C][C][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL7110
|
[C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch2][Ring1][N][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][=C][C][=C][Ring1][#C][Ring2][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][Ring2][Ring1][N]
|
CHEMBL7111
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][#C]
|
CHEMBL7112
|
[N][C][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O]
|
CHEMBL7198
|
[C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL7200
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O][O][Ring1][=C]
|
CHEMBL3310375
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2][=C][Ring2][Ring1][#Branch1]
|
CHEMBL3310384
|
[C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL7221
|
[C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][#C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL7222
|
[C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL7223
|
[C][/C][=Branch1][=C][=C][\C][C][O][C][=Branch1][C][=O][N][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]
|
CHEMBL6949
|
[C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][Branch2]
|
CHEMBL6950
|
[N][C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL3310530
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
CHEMBL3310540
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL7418
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][N][N][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7419
|
[C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1]
|
CHEMBL7508
|
[I][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL34
|
[N][C][=Branch1][C][=O][C][N][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][N][=Ring1][=C]
|
CHEMBL7509
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL7265
|
[C][C][=C][Branch2][Ring1][Branch1][N][C][C@@H1][Branch1][C][F][C@@H1][Branch1][=Branch2][C][Branch1][C][N][C][C][Ring1][Ring2][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][=C][=Ring1][=C]
|
CHEMBL7266
|
[N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring2][Ring1][O]
|
CHEMBL7267
|
[C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL7268
|
[C][O][C][C][O][C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL7269
|
[C][C][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][=N][O]
|
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