chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL14671
|
[C][C][Branch1][C][C][=C][C][S][C][C][=C][Branch1][C][O][N][C][=Branch2][Ring1][Ring1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][Branch2][C][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14672
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][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][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N]
|
CHEMBL14675
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O]
|
CHEMBL14962
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N+1][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL14963
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1]
|
CHEMBL14964
|
[N][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][O]
|
CHEMBL14965
|
[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][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL14697
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL14698
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][S]
|
CHEMBL14445
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL14447
|
[C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][=Ring2][Ring1][Branch1][Cl]
|
CHEMBL14448
|
[C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][C][=N][Ring1][O]
|
CHEMBL14449
|
[C][C][N]
|
CHEMBL14450
|
[C][C][Branch1][C][C][Branch2][Branch1][Branch2][C][C][C@@H1][Branch2][Ring1][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][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][O-1].[Na+1]
|
CHEMBL14451
|
[C][C][Branch1][C][C][Branch2][Branch1][Branch2][C][C][C@H1][Branch2][Ring1][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][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][O-1].[Na+1]
|
CHEMBL14452
|
[C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][C][=Branch1][C][=O][N][Ring1][S][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL14453
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring1][S][Ring2][Ring1][N]
|
CHEMBL14531
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring2][/C][=C][\Br][C][=C][Ring1][=Branch2][N][Ring1][S]
|
CHEMBL14653
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL14654
|
[C][C][C][C][C][Branch1][S][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][O][Ring2][Ring1][#Branch2]
|
CHEMBL14739
|
[C][=C][C][=C][Branch2][Ring1][=N][C][C][=C][C][=C][Branch1][P][O][C][C][N][C][=C][C][=C][N][=C][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL14740
|
[C][N][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL14741
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=Branch1][O][=C][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#C]
|
CHEMBL14676
|
[C][C][C][C][=C][Branch2][Ring2][C][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][#C][C][#N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][S][O]
|
CHEMBL14762
|
[C][C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][Ring2]
|
CHEMBL14763
|
[O][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL14764
|
[O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P]
|
CHEMBL3309987
|
[N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch1]
|
CHEMBL15288
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL15289
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL15037
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15227
|
[C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][Branch1][C][I][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]
|
CHEMBL15228
|
[Cl].[O][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][N][O]
|
CHEMBL15229
|
[N][C@H1][Branch2][Ring1][=N][C][C][=C][C][Branch1][C][I][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL15230
|
[C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15231
|
[C][=C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][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]
|
CHEMBL14716
|
[C][C@H1][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][=N]
|
CHEMBL14717
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][C][#N][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][C]
|
CHEMBL14718
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15322
|
[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][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15323
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15324
|
[C][N][Branch1][C][C][C][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]
|
CHEMBL15325
|
[C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1]
|
CHEMBL15039
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][=Branch2][C]
|
CHEMBL15040
|
[N][#C][C][C][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL15124
|
[C][=C][C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][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][N]
|
CHEMBL15306
|
[C][C@H1][Branch2][Branch1][Branch2][C][S][C@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][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]
|
CHEMBL15307
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL15308
|
[N][C@H1][Branch2][Ring1][=N][C][C][=C][C][Branch1][C][I][=C][Branch1][N][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL15309
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15310
|
[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][C][Branch1][C][C][C][S][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL14719
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL14806
|
[C][C][C][Branch1][P][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][C][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][C][O][C][=C][Ring1][#Branch2]
|
CHEMBL14807
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O]
|
CHEMBL14808
|
[C][C][=N][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][O][Ring1][=N]
|
CHEMBL14809
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL15011
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P]
|
CHEMBL15013
|
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
|
CHEMBL15014
|
[C][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=C][Ring2][Ring1][C]
|
CHEMBL15016
|
[C][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15017
|
[C][C][Branch1][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]
|
CHEMBL15125
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15126
|
[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][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15127
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][Ring1][C][N][O][C][C][C][C][C][C][C][C][C][C][C][C]
|
CHEMBL15128
|
[C][C][=Branch1][C][=O][C][C@@][C][C][C][C@H1][Ring1][Branch1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][C@H1][Ring1][O][C][C][Ring2][Ring1][C]
|
CHEMBL15210
|
[N][C][C][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][Branch2]
|
CHEMBL15311
|
[C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15060
|
[C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL15061
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C@@H1][Ring2][Ring1][C][O].[C][S][=Branch1][C][=O][=Branch1][C][=O][O]
|
CHEMBL15062
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL15063
|
[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
|
CHEMBL14810
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL14811
|
[C][#Branch1][O][#C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14899
|
[C][N][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1]
|
CHEMBL14900
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][N][Branch1][C][C][C]
|
CHEMBL14901
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][S][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL14902
|
[C][O][C][=C][C][=C][Branch2][Branch1][N][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=N][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][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL14903
|
[C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][C][C][Branch2][Ring1][=C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C]
|
CHEMBL14904
|
[C][C][=N][O][C][Branch1][=N][C][=C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring1][=N]
|
CHEMBL15107
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL15108
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@H1][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][O][Branch1][C][C][C]
|
CHEMBL15109
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]
|
CHEMBL15183
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1]
|
CHEMBL15211
|
[C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F]
|
CHEMBL15213
|
[C][C][=C][C][=C][Branch2][Ring1][N][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15214
|
[C][C][C][C][C][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][=N][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]
|
CHEMBL15215
|
[C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C]
|
CHEMBL3310068
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2][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][Branch2][Ring1][Ring1][C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL15064
|
[C][C@H1][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O].[Cl][C][Cl]
|
CHEMBL15143
|
[C][C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=C]
|
CHEMBL15144
|
[O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][C][N][C][=N][C][=N][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][O][C][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15145
|
[C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O]
|
CHEMBL14905
|
[C][C][=C][C][=C][Branch2][Ring2][C][N][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL14906
|
[C][C][C][C][/C][=Branch2][Ring1][Branch1][=N][\N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][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]
|
CHEMBL15259
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C@@H1][C][C][C@H1][Branch2][Ring1][#C][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][O]
|
CHEMBL15260
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][P][C][=N][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]
|
CHEMBL15184
|
[C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL15185
|
[C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C]
|
CHEMBL15187
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][Branch1][Ring2][O][C][C][=N][O][C][=Ring1][Branch2][C]
|
CHEMBL15188
|
[O][=C][Branch2][Ring1][O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]
|
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