chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL12146
|
[C][C][N][C][C][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL12147
|
[C][=C][C][N][C][C][C][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]
|
CHEMBL12148
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1][C][=Branch1][C][=O][O]
|
CHEMBL12149
|
[C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12168
|
[C][C][N][C][C][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=S]
|
CHEMBL12169
|
[N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][Br]
|
CHEMBL12170
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=N][C][C][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2]
|
CHEMBL12172
|
[C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL12195
|
[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]
|
CHEMBL12196
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL12285
|
[C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12287
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1]
|
CHEMBL12288
|
[C][C][Branch2][=Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL12219
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][=N][N][=C][Branch1][C][N][O][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][O]
|
CHEMBL12220
|
[C][N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL12221
|
[C][C][N][C][C][C][C][Ring1][Branch1][=O]
|
CHEMBL12310
|
[C][C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL12312
|
[C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL12238
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][NH1][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL12239
|
[C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#Branch2][C][=N][Ring1][=C]
|
CHEMBL12240
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch2]
|
CHEMBL12241
|
[N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1]
|
CHEMBL12328
|
[C][C][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][#Branch2][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL12329
|
[C][=C][S][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][=C][Ring1][=N]
|
CHEMBL12257
|
[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][=C][Ring2][Ring1][Branch2]
|
CHEMBL12259
|
[O][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][N][C][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL12261
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][O][Ring1][#Branch1]
|
CHEMBL12262
|
[C][C][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][=C][S][Ring1][P]
|
CHEMBL12350
|
[C][N][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12352
|
[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][O][C][Ring2][Ring1][Branch1].[Cl-1]
|
CHEMBL12289
|
[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][S][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL12290
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][S]
|
CHEMBL12373
|
[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]
|
CHEMBL12374
|
[C][C][C][O][C][=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][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C]
|
CHEMBL12313
|
[C][/C][=Branch1][O][=N][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N]
|
CHEMBL12314
|
[C][N][C][C@@H1][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][=N][Ring2][Ring1][Branch2]
|
CHEMBL12034
|
[O][=C][N][C][C][N][Ring1][Branch1]
|
CHEMBL4560018
|
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL12035
|
[C][/C][=C][Branch1][O][\N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12036
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=N]
|
CHEMBL12330
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][C][=C][N][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][N]
|
CHEMBL12331
|
[N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Branch1][S][C][O][C][Branch2][Ring2][P][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O][C][Branch1][C][O][C][Ring2][Ring2][C][O][=N][Ring2][Ring2][Branch2]
|
CHEMBL12332
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL1163431
|
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][O][C][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][C][Ring1][=N][=Ring1][=Branch2]
|
CHEMBL1163417
|
[C][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][Branch2][Ring2][Branch2][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][=C][C][=C][Ring2][Ring2][C][Ring2][Ring2][=Branch2]
|
CHEMBL12060
|
[C][/C][=C][Branch2][Ring1][=Branch2][\N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL12061
|
[C][C][C][C][C][C@@H1][/C][=C][\C][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C]
|
CHEMBL12353
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][O][=C][\C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O]
|
CHEMBL12354
|
[C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL12355
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL12356
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL12357
|
[C][C][Branch1][C][C][C][=C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=N][C][=Ring1][=C][S][Ring1][P]
|
CHEMBL12375
|
[F][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][=Branch2][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL12376
|
[O][=C][N][C][C][C][C][N][Ring1][#Branch1]
|
CHEMBL12377
|
[C][=C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1]
|
CHEMBL12107
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL12108
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][C@H1][Ring1][Branch1][C][Ring1][=Branch2]
|
CHEMBL12037
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#C][=C][\C][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12038
|
[C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL12129
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CHEMBL12130
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2]
|
CHEMBL12062
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL12063
|
[C][C][C][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][P][Ring1][=Branch2]
|
CHEMBL12064
|
[C][C][O][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][C][=C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1]
|
CHEMBL12150
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][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][C][=C][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]
|
CHEMBL12085
|
[N][C][=Branch1][C][=O][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][C][=C][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]
|
CHEMBL12086
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O]
|
CHEMBL12087
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2]
|
CHEMBL12088
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][#Branch1]
|
CHEMBL12089
|
[C][O][C][=C][C][=C][C][=C][N+1][=Branch1][#Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#C][O][C][O][Ring1][#Branch1].[Cl-1]
|
CHEMBL12727
|
[C][N][C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL4560050
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL12728
|
[C][N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL12729
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=Ring1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch2]
|
CHEMBL12730
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][N][C][=C][C][=C][Ring1][Branch1]
|
CHEMBL12451
|
[C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring2][=Branch1][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][N][=Ring2][Ring1][=C]
|
CHEMBL12655
|
[O][=C][Branch1][C][O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#C][Ring1][#Branch2]
|
CHEMBL1163449
|
[C][=C][C][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N+1][Ring1][O][O-1]
|
CHEMBL12656
|
[C][C][C][C][N][Branch2][Ring1][=C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL12746
|
[N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O]
|
CHEMBL12747
|
[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][=Branch1][N][C][=C][C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C]
|
CHEMBL4560051
|
[C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]
|
CHEMBL12749
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][/N][=N+1][Branch1][C][\O-1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch2]
|
CHEMBL12409
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL12410
|
[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][F][C][=C][Ring1][#Branch1]
|
CHEMBL12411
|
[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]
|
CHEMBL12491
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring2][Branch1]
|
CHEMBL12428
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][C][O][C][O][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C].[OH1-1]
|
CHEMBL12429
|
[Cl][C][=C][C][=C][C][Branch2][Branch1][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2]
|
CHEMBL12430
|
[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][F]
|
CHEMBL12452
|
[C][C][C][C][C][C][C][C][C][C][C][C][C@H1][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring1][Branch2][O][C][Branch1][C][C][=O]
|
CHEMBL12453
|
[N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][C][N][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][=C][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL12454
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][C][Ring1][S][=O]
|
CHEMBL12455
|
[C][C][Branch1][C][C][N][Branch2][Ring1][#C][C][C][C][Branch1][#Branch2][C][C][N][C][=C][C][=C][Ring1][Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C]
|
CHEMBL12535
|
[C][N][C][C][N][Branch2][Ring1][=N][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Branch2]
|
CHEMBL12750
|
[C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1]
|
CHEMBL12751
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][/N][=N][/C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL12472
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][C][C][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2]
|
CHEMBL12473
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][C][C][S][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2]
|
CHEMBL12492
|
[C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring1][S][Ring2][Ring1][Branch2]
|
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