chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL14646
|
[C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O]
|
CHEMBL14936
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][O][C][C][O]
|
CHEMBL14937
|
[C][O][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][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]
|
CHEMBL14938
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch1]
|
CHEMBL14939
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch1]
|
CHEMBL14665
|
[Cl][C][=C][C][=C][C][Branch1][S][N][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL14666
|
[C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch2][Ring2][=N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][P]
|
CHEMBL3309986
|
[N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][S][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch1]
|
CHEMBL14956
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][=C][Ring2][Ring1][O]
|
CHEMBL14691
|
[O][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][O][C][O][Ring1][#Branch1]
|
CHEMBL14692
|
[O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310004
|
[N][C][N][=C][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][N][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][N][=Ring2][Ring1][=N]
|
CHEMBL4543197
|
[O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2]
|
CHEMBL4543198
|
[N][#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][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL4543199
|
[C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C]
|
CHEMBL4543200
|
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Cl]
|
CHEMBL4543201
|
[C][O][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][Branch2][=Branch1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][=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][NH1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring2][C][Ring2][Ring1][=C][NH1][Ring2][Ring2][#Branch2][C][Branch1][C][C][C]
|
CHEMBL4543202
|
[C][C@H1][C@H1][C@H1][Branch2][=Branch1][Ring1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Ring1][P][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][C][C@H1][Ring2][Ring1][=N][C][C][C@@][Ring2][Ring1][P][Ring2][Ring2][Ring2][C][O][C@][Ring2][Ring2][Branch2][C][C][C@@H1][Branch1][C][C][C][O][Ring1][#Branch1]
|
CHEMBL14438
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=N][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL14439
|
[O][=C][Branch1][C][O][C][C][S][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14440
|
[N][C][C][O][C][Branch2][Ring2][=Branch2][O][C][C][Branch1][C][N][C][C][Branch1][C][N][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][N][C][Ring1][#Branch2][O][C][Ring2][Ring1][Ring2][O][C][Branch1][C][N][C][C][Ring2][Ring1][=N][O]
|
CHEMBL14441
|
[C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL14444
|
[C][O][C][=C][C][=C][N][Branch2][=Branch1][=N][C@@H1][O][C@@H1][Branch2][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][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][O][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C@H1][Ring2][Ring2][#Branch2][O][C][Ring2][Ring2][P][=O]
|
CHEMBL14526
|
[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]
|
CHEMBL14647
|
[C][C][=C][C][=C][C][Branch2][Ring2][C][N][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][=C][Ring2][Ring1][O]
|
CHEMBL14648
|
[C][O][C][=Branch1][C][=O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
CHEMBL14733
|
[C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][Branch1][C][O][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]
|
CHEMBL14734
|
[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][N][Ring1][N][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543213
|
[C][C][C][Branch1][Ring2][C][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL4543214
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][Branch1][Ring1][C][O][N][Branch1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C]
|
CHEMBL4543215
|
[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][=C][C][Branch1][Ring1][C][N][=N][C][=N][Ring1][Branch2][=C][Ring1][#C][C][C][Ring2][Ring1][Branch2].[Cl]
|
CHEMBL4543216
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][S][C][C][C][C][C][N][Ring1][Branch1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL14735
|
[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]
|
CHEMBL14736
|
[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL14667
|
[C][C][C][C][=C][Branch2][Ring1][N][O][C][C][C][O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=C][Ring1][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][N][O]
|
CHEMBL14668
|
[C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL14669
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch2][Ring1][Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1]
|
CHEMBL14756
|
[C][=C][C][C@@H1][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
CHEMBL14757
|
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14759
|
[O][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14693
|
[C][C][C][C][/C][=Branch1][O][=N][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][Ring2][Ring1][Ring1]
|
CHEMBL14695
|
[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]
|
CHEMBL14696
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL14779
|
[C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][/C][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL14780
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][O]
|
CHEMBL14781
|
[C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N]
|
CHEMBL14527
|
[C][=C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][Ring1][C][C][=C][-\Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14528
|
[C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][Ring1][Branch2][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14529
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL14530
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL3310041
|
[C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][Ring2][Ring1][Ring2]
|
CHEMBL3310042
|
[C][C][O][C][=N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
|
CHEMBL14737
|
[C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][#Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring2][Ring1][O][Ring2][Ring1][Branch2]
|
CHEMBL14738
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Ring1][=N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL14824
|
[C][=C][C][C@H1][Branch1][Branch2][C@H1][Branch1][C][O][C][C][C][O][C][Ring1][#Branch2][=O]
|
CHEMBL14825
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
CHEMBL14826
|
[C][C][=C][N][Branch2][Ring1][Ring2][C][O][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=O]
|
CHEMBL3310045
|
[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL14760
|
[C][=C][C][=C][Branch2][Ring1][=N][C][C][=C][C][=C][Branch1][P][O][C][C][N][C][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL14761
|
[C][N][Branch1][C][C][C][=N][S][C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][C][C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch1][N][=N][Ring2][Ring1][N][=N][Ring2][Ring1][P]
|
CHEMBL14849
|
[Cl][C][=C][C][=C][C][Branch1][=C][N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL14851
|
[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]
|
CHEMBL14782
|
[C][O][C][=C][C][Branch1][Ring1][O][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][Ring2][Ring1][=Branch1]
|
CHEMBL14783
|
[C][C][=C][C][=C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][=N]
|
CHEMBL14784
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][C][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][=N]
|
CHEMBL14870
|
[C][O][/N][=C][Branch2][Branch1][=Branch1][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][S][C][=C][Branch1][Branch1][N+1][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][S][C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL14871
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Ring1][O][C][Branch1][C][C][=O]
|
CHEMBL14276
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O]
|
CHEMBL14277
|
[N][C][=C][C][=C][Branch2][Ring2][C][N][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][C][=C][Ring2][Ring1][O]
|
CHEMBL14279
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][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][Branch2]
|
CHEMBL3310043
|
[C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL14827
|
[C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1]
|
CHEMBL14828
|
[C][O][C][=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][Ring2][Ring1][=Branch1]
|
CHEMBL14831
|
[C][O][C][C][C][Branch2][=Branch1][O][O][C@@H1][/C][Branch1][C][C][=C][/C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][C@][Branch2][Ring1][C][C][=C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][#Branch2][O][Ring1][#C][O][C][=Branch1][C][=O][C@@H1][C][=C][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][O][C][/C][=Branch1][=Branch2][=C][\C][=C][\C@@H1][Ring2][Ring2][Branch1][C][C@@][Ring1][S][Ring1][#Branch2][O][O][C][Branch1][C][C][C][Ring2][Ring2][S][O]
|
CHEMBL14832
|
[C][N+1][Branch2][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N+1][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][=O][C][C][C][C][C][Ring2][Ring2][#Branch1].[I-1].[I-1]
|
CHEMBL14979
|
[C][C][Branch1][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]
|
CHEMBL14980
|
[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][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL14852
|
[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][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL14853
|
[C][C][Branch1][C][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]
|
CHEMBL14940
|
[N][C][=N][C][Branch1][C][O][=C][NH1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][O][=N][Ring1][S]
|
CHEMBL550
|
[C][C][C@@H1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][C][=C][N][=C][N][Ring1][Branch1][C]
|
CHEMBL14941
|
[C][C][Branch1][C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][C@@H1][Ring2][Ring1][Ring2][O]
|
CHEMBL14942
|
[C][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1]
|
CHEMBL14872
|
[C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C][Ring2][Ring1][S][=O]
|
CHEMBL14960
|
[C][N][C][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][Ring2][Ring1][Branch2]
|
CHEMBL14961
|
[C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]
|
CHEMBL3309269
|
[N][C][N][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Ring1][=N][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][O][N][=Ring2][Ring1][=C]
|
CHEMBL14361
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14362
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][N]
|
CHEMBL14363
|
[Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL14364
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL14366
|
[C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][C][=Ring2][Ring1][=Branch1][Cl]
|
CHEMBL14981
|
[C][=C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][C]
|
CHEMBL14982
|
[Cl].[O][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][=N][O]
|
CHEMBL14983
|
[C][N][Branch1][C][C][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]
|
CHEMBL14650
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][C][=C][C][=C][Branch1][=Branch2][C][C@H1][C][N][C][=N][Ring1][Branch1][C][=C][Ring1][N][O]
|
CHEMBL14651
|
[Cl].[O][C][=C][C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][=C][C][Branch1][C][F][=C][Ring1][=N][O]
|
CHEMBL14652
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL14943
|
[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]
|
CHEMBL14944
|
[O][C][=C][C][=Branch2][Ring1][Ring1][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch1]
|
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