chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL15085
|
[C][#C][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][O][=Branch1][C][=O][=O]
|
CHEMBL15086
|
[C][C][O][/N][=C][Branch2][Branch1][#Branch2][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][N+1][=Ring1][O][C][C][S][C][Ring2][Ring1][O][Ring2][Ring1][Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL15087
|
[N][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
CHEMBL15162
|
[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O]
|
CHEMBL15668
|
[C][N][C][C][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL15669
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL15355
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][S][C][C][/N][=C][Branch1][C][\N][C][=Branch1][C][=O][O]
|
CHEMBL15356
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL15357
|
[C][C][O][C][=C][Branch1][=N][N][C][C][C][C][Branch1][Ring1][C][N][C][Ring1][Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=Ring1][=N]
|
CHEMBL15379
|
[C][S][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15381
|
[C][C][Branch1][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][C]
|
CHEMBL15382
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][Ring1][#Branch2]
|
CHEMBL15383
|
[N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL15464
|
[N][C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][Ring2][Ring1][Branch2]
|
CHEMBL15574
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=C]
|
CHEMBL15655
|
[N][C@H1][Branch2][Ring1][N][C][C][=C][C][Branch1][C][I][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][S][C][=Branch1][C][=O][O]
|
CHEMBL15657
|
[N][C][C][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL15658
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL15163
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][O]
|
CHEMBL15164
|
[C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15166
|
[C][=C][N][Branch1][#C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][Ring1][P]
|
CHEMBL15167
|
[C][C][C][C][/C][=Branch2][Ring1][Ring1][=N][\N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch2]
|
CHEMBL15254
|
[C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL15358
|
[O][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][P][C][N][=N][NH1][N][=Ring1][Branch1]
|
CHEMBL15359
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][N][C@@H1][C][C][C@@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][N][O][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL4543268
|
[N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][S][Ring1][=Branch2]
|
CHEMBL4543269
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][C][O][C][C][O][Ring1][O][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL4543270
|
[C][=C][C@][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@][Ring1][=N][Ring1][Branch2][C@@][Branch1][C][C][C][C][C@@][Branch1][#C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][S][C@@H1][Ring2][Ring1][=N][O][C][Branch1][C][C][=O]
|
CHEMBL4543271
|
[C][N][Branch2][Branch1][Branch1][C][C][C][N][Branch2][Ring2][#Branch2][C][C][=C][C][=N][C][Branch1][=C][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][Branch2][C][Ring2][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL4543272
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL3310102
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C]
|
CHEMBL15465
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15467
|
[C][C][N][C][C][N][Branch2][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4543280
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL4543281
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=S][N][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][C][Ring1][P][=C][Ring2][Ring1][N]
|
CHEMBL560
|
[C][C][Branch1][C][C][=C][C][N][C][C][C@@][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][=C][C@@H1][Ring1][N][C]
|
CHEMBL15483
|
[C][C][C][C][C][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL15484
|
[C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL15485
|
[C][C][Branch2][Ring2][=N][C][C][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL3310141
|
[O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL15255
|
[C][C][C][Branch1][C][C][N][C][C][C][C][=C][Branch2][Ring1][#Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL15256
|
[C][=C][C][C@H1][Branch1][Branch2][C@@H1][Branch1][C][O][C][C][C][O][C][Ring1][#Branch2][=O]
|
CHEMBL15257
|
[O][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][N][=C][N][Ring1][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15258
|
[C][C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][O]
|
CHEMBL15597
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL4543290
|
[C][C@@][Branch1][C][O][C][C][N][Branch1][=N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][C@@H1][Ring1][#C][O]
|
CHEMBL4543291
|
[C][O][C][C][N][C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][P][C][=Ring1][Branch1][C][=N][C][=C][C][Branch1][=C][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring1][#C][S][Ring2][Ring1][C][C][C][N][C][Ring2][Ring1][=Branch2]
|
CHEMBL4543292
|
[C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][Branch1][Ring1][\C][#N][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C]
|
CHEMBL4543293
|
[C][#C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][C][Branch1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4543294
|
[O][=C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL4543296
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][N][C][C][C][Branch2][Ring1][=N][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2]
|
CHEMBL4543297
|
[C][N][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring1][P][=O]
|
CHEMBL3310239
|
[C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL15444
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15445
|
[C][C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C]
|
CHEMBL15521
|
[C][O][C][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][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][C][C][Ring1][Ring1][C][Ring2][Ring1][O][=Ring1][=N]
|
CHEMBL15543
|
[N][C@H1][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O]
|
CHEMBL15544
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL15545
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O]
|
CHEMBL15546
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O]
|
CHEMBL15634
|
[O][C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL15635
|
[O][=C][Branch1][O][N][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Ring2]
|
CHEMBL15486
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][N+1][=C][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL15566
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C][C][C][C]
|
CHEMBL15567
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL15571
|
[C][N][=C][NH1][N][=Ring1][Branch1]
|
CHEMBL15572
|
[C][C][Branch1][C][C][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15573
|
[C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][Branch1][Ring2][C][C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL3310142
|
[O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL15598
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch2][C][=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][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][Cl][C][Ring2][Ring1][=Branch2]
|
CHEMBL15600
|
[C][C][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring2][Ring2]
|
CHEMBL15340
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][N]
|
CHEMBL15523
|
[C][C][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][Ring1][C][N][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15524
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1]
|
CHEMBL15610
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=C]
|
CHEMBL15611
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15636
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1]
|
CHEMBL15637
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][N][C][C][C][C][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=N]
|
CHEMBL15638
|
[C][/C][=C][Branch2][Ring1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15384
|
[C][C][C][C][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=N]
|
CHEMBL15398
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C]
|
CHEMBL15399
|
[O][=C][Branch1][#Branch2][N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Ring2]
|
CHEMBL15401
|
[C][C][C][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Ring1][O][N][Ring2][Ring2][C][C]
|
CHEMBL15402
|
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL3310176
|
[O][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=C][Ring1][P]
|
CHEMBL15341
|
[C][C][C][N][Branch2][Ring2][Branch2][C][=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][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][Cl][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15342
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][#Branch2][C][Branch1][C][N][=C][Ring1][S][Ring1][#Branch1][C][C][C][C][Ring1][=Branch2]
|
CHEMBL15343
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15344
|
[C][C][C][Branch2][Branch1][Branch2][C][S][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL3310299
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL15612
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
|
CHEMBL15613
|
[C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15614
|
[C][=C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C]
|
CHEMBL15361
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL15362
|
[C][C][Branch1][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL15386
|
[C][=C][Branch2][Ring1][#C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15387
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15388
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15468
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15469
|
[C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
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