chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4560034
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][N][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=Branch2][Ring1][#Branch1][=C][Ring2][Ring2][Ring1]
|
CHEMBL4560035
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][C][N][C][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][S].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4560036
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL12335
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][S+1][Branch1][C][C][O-1]
|
CHEMBL12336
|
[C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2].[Cl-1]
|
CHEMBL12337
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1].[Br-1]
|
CHEMBL12338
|
[C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL12339
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][N]
|
CHEMBL4560044
|
[C][C][=Branch1][Branch2][=C][Branch1][Ring1][C][#N][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL4560045
|
[O][=C][Branch2][#Branch1][#Branch1][N][C][=N][C][=C][C][Branch2][Branch1][Branch2][C][N][C][C][N][Branch2][Ring2][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring1][=C][=O][C][C][Ring2][Ring2][Ring2][=C][C][=C][Ring2][Ring2][O][N][Ring2][Ring2][=C][C@H1][C][C][C@@H1][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4560046
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N]
|
CHEMBL4560047
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=N]
|
CHEMBL4560048
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2]
|
CHEMBL4560049
|
[C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12065
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][Branch1][C][N][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12091
|
[N][C][=N][C][=Branch1][C][=O][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Cl][C][Ring1][Branch2][O][C][=C][Ring1][S][F]
|
CHEMBL12092
|
[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL12093
|
[C][C][O][C][=Branch1][C][=O][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][N]
|
CHEMBL12094
|
[C][C][=C][Branch2][Ring2][=Branch1][C][N][Branch1][C][C][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][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring2][Ring1][P][Ring1][Branch2]
|
CHEMBL12095
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][O][=C][\C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL12096
|
[C][/C][=C][Branch1][O][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12020
|
[C][C][C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL12021
|
[C][C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12112
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL12113
|
[C][=C][S][C][Branch1][=N][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][Ring1][=N]
|
CHEMBL12044
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1]
|
CHEMBL12045
|
[C][/C][=C][Branch1][#Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12134
|
[C][C][C][C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][Ring1][=C]
|
CHEMBL12135
|
[C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][Ring1][=Branch2].[Cl-1]
|
CHEMBL12136
|
[C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N]
|
CHEMBL12067
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][C][Ring2][Ring1][Branch2].[I-1]
|
CHEMBL12070
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@][Branch2][#Branch1][#Branch1][C][=Branch1][C][=O][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][=Branch1][C][=O][Branch1][C][O][O][C][O][Ring2][Branch1][Branch1]
|
CHEMBL12072
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch2]
|
CHEMBL12073
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL12154
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O]
|
CHEMBL12179
|
[C][C][C][C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
CHEMBL12181
|
[C][=C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O]
|
CHEMBL1163421
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][P][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL12183
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][S][Ring2][Ring1][Branch1].[Cl-1]
|
CHEMBL12184
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12025
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12026
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
CHEMBL12027
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12117
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL12118
|
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C]
|
CHEMBL12119
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL12121
|
[O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]
|
CHEMBL1163415
|
[O][=C][C][Branch1][Ring1][C][O][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][=C]
|
CHEMBL12137
|
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C].[I-1]
|
CHEMBL12138
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][Ring2][Ring1][O]
|
CHEMBL12139
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#C]
|
CHEMBL12228
|
[C][C][=C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C][N]
|
CHEMBL12229
|
[C][C][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL12155
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][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][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12157
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][S][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12158
|
[C][S][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12159
|
[C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12273
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL12274
|
[C][C][Branch1][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
CHEMBL12275
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12209
|
[C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12210
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][C]
|
CHEMBL12295
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][=C]
|
CHEMBL12296
|
[O][=C][Branch2][Ring1][C][N][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][Ring2]
|
CHEMBL12297
|
[N][C][=N][C][Branch1][C][N][=C][N][=N][N][Branch1][=N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O][C][Ring1][=N][=N][Ring2][Ring1][C]
|
CHEMBL12230
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12231
|
[N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][Cl]
|
CHEMBL12232
|
[C][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]
|
CHEMBL12378
|
[C][C][=N][O][C][Branch1][N][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][N]
|
CHEMBL12379
|
[C][O][C][=C][C][=C][Branch2][=Branch1][#Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Branch1][=Branch1]
|
CHEMBL12380
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=C]
|
CHEMBL12382
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][Ring2][Ring1][#Branch1].[I-1]
|
CHEMBL12384
|
[C][N][Branch1][Ring2][C][C][Br][C][C][Br]
|
CHEMBL12247
|
[C][C][C][C][N][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL505
|
[C][N][Branch1][C][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL1163433
|
[C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]
|
CHEMBL12250
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][C][C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C]
|
CHEMBL12276
|
[C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=N][Ring1][=Branch2].[Cl-1]
|
CHEMBL12363
|
[C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL12364
|
[O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12365
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C]
|
CHEMBL12366
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][C][O][Ring1][Branch2]
|
CHEMBL12299
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL12022
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][#C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL3833385
|
[C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][Branch2][#Branch1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C@@H1][Branch1][#C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][N][C][Ring1][#C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=C][NH1][C][Branch2][Ring1][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][=C][=C][NH1][Ring2][Branch1][Ring1][C][Branch1][C][C][C]
|
CHEMBL3833388
|
[C][C][C][N+1][C@H1][C][C@@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C@H1][Ring1][#Branch2][C@@H1][Ring1][=C][C][C@@H1][Branch1][O][C@H1][Branch1][Ring1][C][C][C@H1][Ring2][Ring1][Ring2][O][C@H1][Ring2][Ring1][Branch1][C@H1][Ring2][Ring1][Ring2][O].[O][=C][Branch1][C][O-1][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL12024
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL12385
|
[O][=S][=Branch1][C][=O][Branch1][C][O-1][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][I].[Na+1]
|
CHEMBL12386
|
[C][O][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=N][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C]
|
CHEMBL12046
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][C][Ring1][Branch2]
|
CHEMBL12048
|
[C][C][=C][C][=C][C][Branch1][=C][C][N+1][Branch1][C][C][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1].[Cl-1]
|
CHEMBL12049
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12050
|
[C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][#Branch2][=O]
|
CHEMBL12340
|
[C][/C][Branch2][Ring1][=Branch2][C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL12341
|
[C][C][C][C][C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL1163432
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL12342
|
[C][C][=C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][#Branch2][S][Ring1][=N]
|
CHEMBL12343
|
[C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][Branch1][C][F][F]
|
CHEMBL515
|
[O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL12344
|
[C][N][Branch1][C][C][C][C][C][S][C][=Branch1][C][=N][N]
|
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