chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL11146
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL11147
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C@H1][Ring1][Branch1][C][O]
|
CHEMBL11236
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL3310096
|
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][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][O]
|
CHEMBL11168
|
[C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][Branch1][C][Cl][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL11169
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S]
|
CHEMBL11255
|
[Cl][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11256
|
[O][=C][C][=N][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2]
|
CHEMBL11257
|
[C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL11186
|
[C][O][C][C][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=C][Branch1][C][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL11187
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring2][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][O][=N][Ring2][Ring1][S]
|
CHEMBL11188
|
[O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL11189
|
[C][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][O]
|
CHEMBL4559971
|
[C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][O][Ring1][O]
|
CHEMBL4559972
|
[C][C][Branch1][C][C][C][C@H1][Branch2][O][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL262031
|
[C][/C][=C][/C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][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][=Branch1][C][Branch1][C][C][C][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][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][=Branch1][P][C]
|
CHEMBL11216
|
[O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11217
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=Branch2][Ring2][Ring2][=Branch1]
|
CHEMBL1163361
|
[C][C][=C][C][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][=N][O]
|
CHEMBL11218
|
[O][=C][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL11220
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O]
|
CHEMBL10945
|
[C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][=C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL10946
|
[N][C][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]
|
CHEMBL11238
|
[C][O][C][C][O][C][C][N][Branch2][Ring2][P][C][C][C][C][C][S][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][NH1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
|
CHEMBL11239
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C]
|
CHEMBL495
|
[C][C][C][C][C][C@H1][Branch1][C][O][/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]
|
CHEMBL11240
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL10966
|
[O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@@H1][C@@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][O]
|
CHEMBL11258
|
[C][C][C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][=Branch1][O][C][C][C][C][=C][Ring1][S][Cl]
|
CHEMBL11259
|
[C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][C][=Branch1][C][=O][O][C]
|
CHEMBL11260
|
[C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][#N][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]
|
CHEMBL11261
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=N][Ring2][Ring2][#Branch2]
|
CHEMBL11262
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL10988
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][NH1][Ring1][Branch2][C][=C][Ring1][=C]
|
CHEMBL10989
|
[C][C@][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL3310174
|
[C][O][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][C][=C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4559988
|
[O][=C][Branch1][C][O][C][C][C][S][C][=N][N][=C][Branch1][P][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=Branch2][Cl][O][Ring1][#C]
|
CHEMBL4559989
|
[C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][O]
|
CHEMBL11568
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][N][Ring1][=C]
|
CHEMBL11569
|
[C][O][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11571
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11572
|
[C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][N][N][C][=C][C][=C][Ring1][Branch1]
|
CHEMBL11573
|
[C][C][N][C][C][C][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O]
|
CHEMBL10948
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL10949
|
[C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11029
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL11030
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL4560004
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=S][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2]
|
CHEMBL4560005
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][Ring1][=N][N][=Ring1][P][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4560006
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][=N-1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][O][Ring1][Ring2]
|
CHEMBL10967
|
[O][=C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][N][C][Ring1][=Branch1][=O]
|
CHEMBL10968
|
[C][N][C][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][I][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL10970
|
[C][S][C][C][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL11053
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL10990
|
[C][S][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL10991
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL11079
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][F]
|
CHEMBL3310226
|
[C][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][C][Cl][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O]
|
CHEMBL3310227
|
[C][C][=N][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O]
|
CHEMBL11006
|
[C][O][C][=C][C][Branch1][#Branch2][C][C][Branch1][C][C][N][C][C][#N][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][I]
|
CHEMBL11097
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=N][O][C]
|
CHEMBL11098
|
[C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL3310234
|
[C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][P][O]
|
CHEMBL11031
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][Branch1][C][C][C]
|
CHEMBL11032
|
[C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL11033
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O]
|
CHEMBL11123
|
[C][C][/C][=Branch2][Ring1][Branch1][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N]
|
CHEMBL11124
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL11054
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O]
|
CHEMBL11055
|
[C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][N][=C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2]
|
CHEMBL11058
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL11148
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][O][Ring1][Branch2]
|
CHEMBL11080
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][O][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL11081
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL11082
|
[C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][Branch1][Ring1][O][C][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL1163357
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][Branch1][Ring1][\C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11170
|
[C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][Ring1][#C]
|
CHEMBL11106
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring2][C]
|
CHEMBL11199
|
[C][C][/C][=Branch2][Ring1][Branch1][=C][Branch1][#Branch2][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][O][C][N][Branch1][C][C][C][C][=C][Ring1][O]
|
CHEMBL11200
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=C][Ring2][Ring2][O]
|
CHEMBL11201
|
[C][C][C][C][C][C][C][N][Branch2][Ring2][P][C][C][C][C][C][S][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][NH1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL11203
|
[C][N][Branch1][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11204
|
[C][C][C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL11125
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][N][C][C][=N][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL11127
|
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11129
|
[C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL11221
|
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL11222
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][Branch1][C][O][C][=C][N][=C][Ring1][#Branch1][Ring1][P][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL11149
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch2][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][Ring2][Ring2][C]
|
CHEMBL11150
|
[C][C@@][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL11151
|
[C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL11153
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL1163362
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@H1][Ring1][N][C][=N][Ring2][Ring1][=Branch1]
|
CHEMBL11241
|
[C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][N][Cl]
|
CHEMBL11171
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S]
|
CHEMBL11172
|
[C][C][C][C][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL11173
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][Ring2][Ring1][C][NH1][C][=Ring2][Ring1][#Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][#C][=O]
|
CHEMBL11174
|
[O][=C][O][C][Branch1][C][O][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL3310228
|
[C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=C][O]
|
CHEMBL3310229
|
[C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#C][O]
|
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