chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL13212
|
[C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL4543221
|
[C][N][C][C][N][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C][=C][Ring1][=N][Ring2][Ring1][=C]
|
CHEMBL13213
|
[O][=C][N][O][C][C][N][C][C][C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL13142
|
[C][O][C][C@H1][O][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C@@][Ring1][#Branch2][Branch1][C][C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C@@][Ring1][#Branch2][Branch1][C][C][C][C@H1][Ring1][P][O][C][Branch1][C][C][=O]
|
CHEMBL13143
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13145
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=C][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2]
|
CHEMBL3309422
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL13434
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Te+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Se][Ring2][Ring1][O].[Cl-1]
|
CHEMBL13435
|
[C][C][N][Branch1][O][C][C][C][C][C][C][Branch1][C][C][F][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL13436
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][P]
|
CHEMBL13437
|
[C][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13166
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][#Branch1]
|
CHEMBL13193
|
[C][C][C][=C][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring2][=Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring2][Branch1][Ring2][C][C][=Branch1][C][=O][O]
|
CHEMBL13195
|
[C][C][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][O]
|
CHEMBL13196
|
[C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][/C][=C][/C][=C][/N][O]
|
CHEMBL101
|
[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O]
|
CHEMBL13285
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL3309359
|
[C][C][Branch1][C][C][C][O][C][=N][O][N][=C][Ring1][Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL3309360
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309361
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12939
|
[C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL12940
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
|
CHEMBL12941
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][N][C][S][C][C][N][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][Branch2]
|
CHEMBL13024
|
[N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL13146
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13241
|
[O][=C][Branch1][C][O][C][C][N][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL13242
|
[N][#C][N][C][C][C][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][C][Ring1][P]
|
CHEMBL13243
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309425
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][Branch1][C][C][C]
|
CHEMBL13167
|
[C][C][Branch1][C][C][N][Branch2][Branch1][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][=Branch2][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][S][C][=C][Ring2][Ring1][=N][C][Branch1][C][C][C]
|
CHEMBL4543243
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][#C]
|
CHEMBL13168
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL13169
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL13267
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL3309333
|
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL13286
|
[C][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][Ring2][Ring1][O]
|
CHEMBL13287
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL13288
|
[C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13369
|
[C][C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl]
|
CHEMBL13370
|
[C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][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][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C]
|
CHEMBL13371
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL13372
|
[C][O][C@@][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][S][C][Ring2][Ring1][O][Ring2][Ring2][Branch2]
|
CHEMBL3309362
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P]
|
CHEMBL13025
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL13026
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL13027
|
[C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL13028
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][O][=C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL12761
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][#C]
|
CHEMBL13244
|
[C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][C][=Branch1][C][=O][N][Ring1][#C][C]
|
CHEMBL13245
|
[C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL13327
|
[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL13328
|
[C][C][N][Branch1][O][C][C][C][C][C][C][Branch1][C][C][F][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL3309426
|
[C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL13268
|
[C][S][C][=C][C][=C][Branch2][Ring2][P][C][N][C][Branch1][C][O][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][N][=C][Ring2][Ring1][Branch2][Ring1][=N][C][=C][Ring2][Ring1][#C]
|
CHEMBL531
|
[C][C][C][N][C][C@H1][Branch1][Ring2][C][S][C][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][Ring1]
|
CHEMBL4543260
|
[C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][C][N][Ring1][Ring2][C][=C][Ring1][O]
|
CHEMBL13269
|
[O][=C][Branch1][C][O][C][N][=C][N][Branch1][=Branch1][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N]
|
CHEMBL13349
|
[C][C][C][=C][C][=Branch2][Ring1][Ring1][=N][C][=C][N][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C]
|
CHEMBL3309335
|
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring1][=C][=O]
|
CHEMBL13374
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13376
|
[C][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL13377
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][Branch2][N][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][O][=C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][S][=O]
|
CHEMBL13463
|
[C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL3309364
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][N+1][=Ring1][O][O-1][C][=C][Ring2][Ring1][C]
|
CHEMBL12763
|
[C][=C][C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL12764
|
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][C][=Branch1][C][=O][N][Ring2][Ring1][C][Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL12765
|
[C][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][Ring2][Ring1][O]
|
CHEMBL12848
|
[O][=C][N][Branch2][Ring2][N][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][C][C][N][Ring2][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12849
|
[N][C][=C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][S][Ring1][O]
|
CHEMBL13329
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL13330
|
[C][O][C][C@H1][O][C][Branch1][C][O][=C][Branch1][Ring1][C][=N][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][#Branch1][C@][Ring2][Ring1][Branch1][Ring2][Ring1][N][C]
|
CHEMBL13478
|
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=N][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][S][=O]
|
CHEMBL13479
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL13481
|
[C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13352
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N]
|
CHEMBL13353
|
[C][C][C][C][S][/C][=C][\C][=Branch1][C][=O][O][C@H1][Branch1][Ring2][C][O][C][C@@][Branch1][C][C][C][Ring1][O][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][#Branch1]
|
CHEMBL1163480
|
[O][=C][Branch2][Ring1][=N][C][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL13438
|
[C][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl]
|
CHEMBL13439
|
[C][C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl].[Cl]
|
CHEMBL13464
|
[C][N][C][C@H1][Branch1][=N][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][Ring2][Ring1][N]
|
CHEMBL13465
|
[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][Branch2][Ring1][S]
|
CHEMBL13466
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][Branch1][C][O][C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL13467
|
[C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL4543300
|
[C][C][C@@H1][Branch1][C][C][C@@H1][Branch2][=Branch2][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][Branch2][Ring2][=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][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][N][C][=Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][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][#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][#Branch1][C][C][Branch1][C][N][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][O][Branch1][C][S][C][C][C][=Branch1][C][=O][N][Branch2][#Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][#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][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O][C][Ring2][#Branch1][C][=O][C][Branch1][C][N][=O]
|
CHEMBL4543301
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][=N]
|
CHEMBL4543302
|
[O][=C][Branch2][Ring2][=N][N][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
CHEMBL4543303
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13468
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=Ring1][=N]
|
CHEMBL13625
|
[C][C][=Branch1][C][=O][O].[C][C][N][Branch1][P][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL13626
|
[C][C][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C@][Branch1][C][C][O][C@][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][NH1][C][Branch1][C][Br][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][C@H1][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch1][Ring2][Ring1][#C]
|
CHEMBL13197
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL3309365
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=N][O][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=C]
|
CHEMBL12850
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12851
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][Ring1][=N][C][C][C][Ring1][Ring1]
|
CHEMBL12852
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
|
CHEMBL3309394
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][Ring1][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][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][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring2][Ring2]
|
CHEMBL13486
|
[O][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]
|
CHEMBL13147
|
[C][N][Branch1][C][C][C][C][C][=C][NH1][C][C][=C][S][C][Ring1][Branch2][=Ring1][Branch1]
|
CHEMBL13148
|
[C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
CHEMBL13149
|
[C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
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