chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4296982
|
[N][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][N][O]
|
CHEMBL4296983
|
[C][C][=C][C][Branch1][C][N][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4296985
|
[C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch2][O][Ring1][O][C][C][/C][=C][Branch1][C][/C][C][C][=C][C][C][Branch2][=Branch1][=Branch2][O][C][C][C][Branch2][Ring2][P][O][C][C][C][C][Branch2][Ring1][P][O][C][C][C][Branch1][C][O][C][Branch1][S][O][C][C][C][C][Branch1][C][O][C][Branch1][C][C][O][Ring1][Branch2][C][Branch1][C][C][O][Ring1][P][C][Branch1][C][C][O][Ring2][Ring1][=Branch2][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][O][Ring2][Ring2][Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring2][Ring2][=C][C][Ring2][Branch1][C][Branch1][C][C][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][O][C][Branch2][Ring1][Branch1][C][C][Branch1][Ring1][C][=O][=C][C][Branch1][C][O][C][Ring1][=Branch2][/C][=C][-\Ring2][=Branch1][=Branch2][C][C][Ring1][P][=O][C][C][Ring2][#Branch1][Ring2][Branch1][C][C][N+1][=Branch1][C][=O][O-1]
|
CHEMBL4297312
|
[C][O][C][C@@][Branch1][C][C][C][C][C][N][C][C][C][=C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring2][Ring1][C]
|
CHEMBL4297313
|
[C][C][Branch1][C][C][C][C][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#C][O]
|
CHEMBL4297315
|
[N][=C][Branch1][C][N][C][=C][C][=C][N][=C][Branch2][Branch1][Branch2][C][=C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][=C][Ring2][Ring1][=N][O][NH1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1]
|
CHEMBL4297320
|
[C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][S][S][C][C@@H1][Branch2][Branch1][Ring2][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@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][C][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][N][C][=Branch1][C][=O][C@@H1][Branch1][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][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][Ring2][=Branch2][=Branch2][=O]
|
CHEMBL4297323
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][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][Branch1][Ring1][C][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][C][C][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][N][=O]
|
CHEMBL4297325
|
[C][=C][C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=N][C][=C][Branch1][Branch2][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1][C][N][C][Ring1][#Branch1][=C][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][O][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][O][C][C].[Cl]
|
CHEMBL4297328
|
[O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][=C][Ring1][P]
|
CHEMBL4297331
|
[C][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]
|
CHEMBL4297512
|
[O][=C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]
|
CHEMBL4297514
|
[C][C@H1][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Branch1][C][N][N][Ring1][#Branch2]
|
CHEMBL4297515
|
[C][C][C][C][=N][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Branch2][Branch2][=Branch2][C][=C][C][Branch2][#Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][#Branch1][C][C][O][C][=Branch1][C][=O][O][C][C][N][C][C][N][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][C][C][Branch1][Ring2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch2][C][=Branch1][C][=O][NH1][Ring1][=C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][S][C][C][Ring2][Ring2][=C][=C][C][=C][Ring2][Branch1][#Branch1][O][C][C][=N][C][Ring2][=Branch1][Branch1][=Ring2][Branch1][P]
|
CHEMBL4297518
|
[C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=N][C][C][Branch1][Ring2][C][C][C][=C][N][Branch1][Ring1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring1][#C]
|
CHEMBL4297522
|
[C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][=C][Branch1][C][F][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][F][C][C][=C][N][=C][NH1][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][N][=C][Ring1][S][Ring2][Ring1][P]
|
CHEMBL4297525
|
[N][C][=Branch1][C][=O][C][Branch2][=Branch1][O][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1][C][C][N][C][C][Ring2][Branch1][=Branch1]
|
CHEMBL4297526
|
[C][O][C][=Branch1][C][=O][C][C][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL4297528
|
[C][C][=C][N][N][=C][Branch2][Ring2][Ring1][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][#C][N][C][C][N][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2][C][=C][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][Branch1][C][C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=N]
|
CHEMBL4297531
|
[C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][C][S][S][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][N][C][Ring2][Branch2][P][=O]
|
CHEMBL4297533
|
[C][C][=Branch1][C][=O][O].[C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][Ring2][Branch1][=N][=O]
|
CHEMBL4297534
|
[C][N][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2].[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O]
|
CHEMBL4296880
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL4296881
|
[C][S][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][=S]
|
CHEMBL4296882
|
[C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4296883
|
[O][=N+1][Branch1][C][O-1][C][N][=C][NH1][C][=Ring1][Branch1][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4296884
|
[O][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][=C]
|
CHEMBL4296885
|
[O][=S][=Branch1][C][=O][C][C][C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][/N][=C][/C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
CHEMBL4296986
|
[C][O][C][=C][C][=Branch2][Ring2][Ring2][=C][C][=C][Ring1][=Branch1][C@@H1][O][C][=C][Branch1][P][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][C@@H1][Ring1][#C][C][O][Ring2][Ring1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N]
|
CHEMBL4296987
|
[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1]
|
CHEMBL4296988
|
[C][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][C][O][C][C][C@H1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring1][=N][C][C@@H1][Ring1][P][Ring2][Ring1][=Branch1]
|
CHEMBL4296989
|
[C][C][=C][C][=C][Branch1][=Branch2][C][=C][S][S][C][Ring1][Branch1][=S][C][=C][Ring1][N]
|
CHEMBL4296990
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch2][C][=C][Branch1][Ring1][C][O][C][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@@H1][Ring1][S][Ring1][Branch2][C@@H1][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@][Ring2][Ring1][=Branch2][Ring1][=Branch1][O][C][Branch1][C][C][=O]
|
CHEMBL4296991
|
[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL4297332
|
[C][C][O][C][C][C][C][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C].[O][=C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL4297334
|
[O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][18F][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL4297343
|
[C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL4297346
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][=Branch1][S+1][Branch1][C][O-1][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]
|
CHEMBL4297542
|
[C][C][Branch1][C][C][O][C][=N][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][Cl]
|
CHEMBL4297583
|
[C][C][=N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch1][O][C@H1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
|
CHEMBL4297584
|
[C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL4297586
|
[C][N][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N]
|
CHEMBL4297588
|
[C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][S][C][=C][Branch2][Ring2][Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring2][Ring2][#C]
|
CHEMBL4297589
|
[C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][C@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring2][Ring2]
|
CHEMBL4296886
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][O]
|
CHEMBL4296887
|
[N][C][=C][C][=C][Branch1][N][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][N][=N][Ring1][S]
|
CHEMBL4296888
|
[N][#C][/N][=C][/N][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N]
|
CHEMBL4296890
|
[C][N][Branch1][S][/N][=N][/C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4296891
|
[C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][O][/N][=C][\C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL4296892
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][Ring1][P][C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4296893
|
[C][C][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1][Ring1][#Branch2]
|
CHEMBL4296992
|
[O][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][Ring2][Ring1][=N]
|
CHEMBL4296993
|
[C][C][=C][C][=C][Branch2][Ring1][=N][/N][=N][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4296994
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][NH1][Ring1][#Branch2]
|
CHEMBL4296995
|
[C][N][C][=Branch1][C][=O][C][C][C@@][Branch1][C][C][C][Ring1][Branch2][=C][C][C@H1][C@@H1][C][C][C@][Branch1][C][C][Branch1][C][O][C@@][Ring1][#Branch1][Branch1][C][C][C][C][C@@H1][Ring1][N][Ring1][P]
|
CHEMBL4296996
|
[C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][Ring1][#Branch2]
|
CHEMBL4297349
|
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring1][O][=O]
|
CHEMBL4297350
|
[C][C@H1][Branch2][Ring2][N][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4297352
|
[C][C@][Branch2][Ring1][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=C][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL4297353
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S][C][C][Ring2][Ring2][#Branch1]
|
CHEMBL4297354
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][C][=C][Ring1][S][N][=C][Ring2][Ring1][#Branch1][C][Branch1][C][N][=O]
|
CHEMBL4297590
|
[C][O][C][=C][C][=C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=N][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][Ring2][Ring1][=C]
|
CHEMBL4297594
|
[C][C][Branch1][C][C][O][C][C][N][C][=Branch1][C][=S][NH1][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][Ring1][O]
|
CHEMBL4297595
|
[N][#C][C][C][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=C][Ring1][S]
|
CHEMBL4297598
|
[C][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P]
|
CHEMBL4297599
|
[N][C@@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S][C][=Branch1][C][=O][O]
|
CHEMBL4297600
|
[N][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring2][Ring1][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C@][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C@H1][Branch1][C][F][C][Ring1][N][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][=Branch2]
|
CHEMBL4297601
|
[C][O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Branch2][Ring2][=N][C][N][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C@@H1][Ring2][Ring1][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=C]
|
CHEMBL4296894
|
[C][O][C][=C][C][C][=Branch1][C][=O][N][C][=C][Branch1][S][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring1][#C][O][C][C][C][Ring1][=C]
|
CHEMBL4296895
|
[C][C][=N][NH1][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL4296896
|
[O][=N][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1]
|
CHEMBL4296897
|
[C][O][C][=C][C][=C][Branch2][=Branch1][N][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@@H1][C@@][Ring1][#Branch1][Branch2][Ring2][=N][C][C@@][Branch1][C][O][C@@H1][C][N][C][C@@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C@@][Branch1][C][C][Branch1][C][O][C@@][Ring1][=N][Branch1][C][O][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][O][O][C@@][Ring2][Ring2][C][Ring2][Ring1][=N][O][C][=C][Ring2][Ring2][N][O][C]
|
CHEMBL4296898
|
[O][=C][N][=C][O][N][=N][C][Ring1][Branch1][=C][Branch1][Ring2][/C][=N][\O][NH1][Ring1][N]
|
CHEMBL4296899
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1]
|
CHEMBL4296997
|
[C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4296998
|
[C][=Branch1][N][=C][/C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][\C][S][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL4296999
|
[C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4297000
|
[O][/N][=C][Branch1][=Branch2][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][=Branch2]
|
CHEMBL4297001
|
[C][C][=Branch1][C][=O][N][C][=C][/C][=Branch1][#Branch1][=C][\N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O]
|
CHEMBL4297002
|
[C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][C][C][C]
|
CHEMBL4297355
|
[C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][O][Ring1][#Branch2][=C][C][Branch1][C][Cl][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL4297356
|
[C][C][C][C][O][C][=N][C][Branch1][C][N][=C][NH1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][C][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][Ring2][Ring1][#C][=N][Ring2][Ring2][Ring2]
|
CHEMBL4297357
|
[N][C@H1][Branch1][#C][C][C][=C][C][=C][Branch1][Ring2][O][C][18F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]
|
CHEMBL4297359
|
[C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring2][Branch1][C][N][C][=C][Branch1][=C][C][#C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Branch1][C][Cl][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][C]
|
CHEMBL4297362
|
[N][=C][Branch1][C][N][N][C][C][C][C@@H1][Branch2][=C][=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][Branch2][C][C][C][Branch1][C][N][=O][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][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@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][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][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL4297363
|
[C][C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][N][C][=N][C][=C][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4297602
|
[O][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring1][C@H1][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][NH1][Ring2][Ring1][=C]
|
CHEMBL4297606
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL4297610
|
[C][C@H1][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O]
|
CHEMBL4297611
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C@@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N]
|
CHEMBL4297615
|
[C][C][O][C][=C][Branch2][Ring1][Branch2][C@H1][Branch1][C][C][N][N][=C][Branch1][C][C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1]
|
CHEMBL4296900
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=Branch1][P][=C][\C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][Ring1][P].[O][=S][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4296901
|
[C][=Branch1][=Branch2][=N][/N][C][=N][N][=C][Ring1][Branch1][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
|
CHEMBL4296902
|
[O][=C][N][=C][Branch2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][NH1][O][Ring1][#C]
|
CHEMBL4296903
|
[C][C][=N][C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][=Branch2][N][=C][Ring1][=N][C]
|
CHEMBL4296904
|
[C][C][C][C][O][C][=C][C][=C][Branch1][#C][/N][=N][\C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=N][Ring1][S]
|
CHEMBL4297003
|
[C][C][=N][NH1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=C][Ring1][O]
|
CHEMBL4297005
|
[C][C][=N][N][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][S][Ring1][#Branch2]
|
CHEMBL4297006
|
[C][S][/C][=Branch2][Ring1][O][=C][\C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C][S+1][Branch1][C][C][O-1]
|
CHEMBL4297007
|
[C][=C][Branch1][C][C][C][/N][=C][/C][Branch1][C][C][C][C][C][Branch1][C][C][=C][O][Ring1][Branch2]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.