chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL8997 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N] |
CHEMBL8998 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] |
CHEMBL8999 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1] |
CHEMBL8927 | [C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][P] |
CHEMBL8929 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL9018 | [C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1] |
CHEMBL9019 | [C][=C][C][=Branch1][C][=O][O][C] |
CHEMBL9020 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9040 | [C][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL9041 | [C][=C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] |
CHEMBL9043 | [C][C][C][C][N][C][=Branch1][C][=O][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][O][C][O][Ring1][#Branch2] |
CHEMBL9044 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][N][Ring1][N][N][=Ring1][#C] |
CHEMBL9067 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1] |
CHEMBL9068 | [C][=C][=C][Branch1][Ring2][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9069 | [C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][S][=O] |
CHEMBL9000 | [C][C][=C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2] |
CHEMBL9001 | [C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][P] |
CHEMBL9088 | [O][=C][Branch1][P][N][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL9089 | [O][=C][Branch1][N][N][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL9090 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O] |
CHEMBL9021 | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL9022 | [C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][O][O][C@@H1][Branch1][N][C][C][N][Branch1][C][C][C][C][C][N][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][N][C][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C] |
CHEMBL9025 | [N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL9111 | [N][N][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=C][C][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][C] |
CHEMBL9385 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][C][O][C@][Branch1][Ring1][C][O][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][#C][Ring1][N][Ring2][Ring1][N] |
CHEMBL4303148 | [O][=C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][O][C][O] |
CHEMBL9468 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1] |
CHEMBL9469 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL9321 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL9401 | [C][C][S][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CHEMBL9402 | [C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][Ring1][#Branch2] |
CHEMBL9405 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][Branch2][Ring1][Ring2][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][=C][Ring2][Ring1][=C] |
CHEMBL3309417 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=Branch1][C][=O][O][C] |
CHEMBL9341 | [C][C][Branch1][C][C][/N][=C][Branch1][C][\N][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][/C][Branch1][C][N][=N][/C][Branch1][C][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL9425 | [C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][#Branch2][C@H1][Branch1][C][O][C@][Branch1][Ring1][C][O][Branch1][=C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][N][C][Ring2][Ring1][S][C][Ring2][Ring1][N] |
CHEMBL9426 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][O][Ring1][=Branch1] |
CHEMBL4303157 | [C][C@][C][C][C@@H1][C@@H1][Branch1][P][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4553703 | [C][/C][=Branch1][Ring2][=C][\C][O][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][Ring1][C][O][C@H1][C@H1][Branch2][Ring1][Branch1][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][O][C][=C][C@][Ring2][Ring1][C][Ring2][Ring1][Branch2][O] |
CHEMBL4553704 | [Cl].[Cl].[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4553705 | [Br][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4553706 | [C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O] |
CHEMBL4553707 | [C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=N][N][Ring2][Ring1][N][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2] |
CHEMBL9427 | [C][O][C][=C][C][NH1][C][Branch2][Ring1][Ring1][S+1][Branch1][C][O-1][C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][F][F] |
CHEMBL3309501 | [C][C][O][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] |
CHEMBL9449 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][=N] |
CHEMBL9450 | [C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL9451 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4559930 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][O][C][=Ring1][Branch1] |
CHEMBL4559931 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][C][C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][C][Ring1][O] |
CHEMBL4559932 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@][Branch1][Ring1][O][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C@@H1][O][C@@][Branch1][C][C][C][C@@H1][Ring2][Ring1][Ring2][C@][Ring1][#Branch1][Ring2][Ring1][C][O][O][Ring1][#Branch1] |
CHEMBL4559933 | [C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4559934 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1][C][Branch1][C][C][=N][Ring2][Ring1][=N] |
CHEMBL9452 | [C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL9453 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=N][N][Ring1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C] |
CHEMBL9187 | [Br].[C][N][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][N][C][=O][=C][N][Ring1][Branch2][C][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N] |
CHEMBL9470 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL9471 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL9473 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Branch1][P][C][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL9474 | [C][O][C@H1][C@@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CHEMBL9475 | [C][C][C][C][C][C][C][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
CHEMBL9207 | [C][O][C][=C][C][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][=C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL9209 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL9406 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
CHEMBL9576 | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][#Branch2] |
CHEMBL9577 | [C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] |
CHEMBL9579 | [C][C][=C][N][Branch2][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][Br][O][Ring1][N][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL3309418 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][Branch1][C][C][C] |
CHEMBL9428 | [C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL483 | [C][C@H1][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL9161 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#C][O][C@@H1][C][C@@H1][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring2][=Branch2] |
CHEMBL9162 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL3309542 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL9188 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL9189 | [C][C][O][C][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL9190 | [C][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][#Branch2][C@H1][O][C][C@@][Ring1][Ring2][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][N][C][Ring2][Ring1][Branch2] |
CHEMBL9282 | [O][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][Ring1][S] |
CHEMBL9212 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL3309388 | [C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Ring2][=N][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1][=N][Ring2][Ring2][C] |
CHEMBL9580 | [C][C][/N][=C][Branch1][C][\N][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL4553176 | [C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1] |
CHEMBL4553177 | [C][N][N][=C][Branch1][#C][N][C][Branch1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4553536 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][=Ring1][=Branch2][C][=C][S][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4553537 | [C][C][C][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][C][=O][C][=C][C][=C][Branch1][=Branch2][/C][=C][/C][=Branch1][C][=O][N][O][C][=C][Ring1][N] |
CHEMBL9581 | [C][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL9519 | [O][=C][C][=C][N][Branch2][Ring1][S][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] |
CHEMBL9520 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=C][Branch1][C][\S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N] |
CHEMBL9521 | [O][C][C][C][N][C][Branch1][C][O][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][P] |
CHEMBL470 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL3309419 | [C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL9164 | [C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4553552 | [O][=C][C][=C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][#C] |
CHEMBL9165 | [O][=C][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=C][C][=C][Ring1][Branch1][Ring2][Ring1][#Branch1] |
CHEMBL9257 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL9259 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL9283 | [C][C][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9286 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][Branch1][C][Br][C][Ring1][#Branch1][=N][Ring1][O] |
CHEMBL9301 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][O][C][O][C@H1][Ring1][Branch1][C@@H1][Ring1][O][O][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL9302 | [C][O][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=C][Ring1][N][O][C] |
CHEMBL9303 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4553570 | [C][C][C][C][C][C][C][C][Branch1][C][N][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.