chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4294350 | [N][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#C][Ring1][#Branch2][C][=C][Ring2][Ring1][O] |
CHEMBL4294351 | [C][O][C][=C][C][=C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][N][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294352 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][=Branch1][Branch1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][=N][C][C][C@][Ring2][Ring1][P][Ring2][Ring2][#Branch1][C][C@H1][Ring2][Branch1][C][Ring2][Ring2][=N] |
CHEMBL4294353 | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][S][O][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][C@@][Ring2][Ring1][#Branch1][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4294354 | [C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][=O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4294355 | [O][=C][Branch2][Ring1][=N][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL4294440 | [C][C][S][C][Branch2][Ring1][=Branch1][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294441 | [C][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4294442 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][C][S][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring2][C] |
CHEMBL4294443 | [Cl].[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][NH1][Ring1][S] |
CHEMBL4294444 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4294445 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][NH1][/C][=Branch1][N][=N][\O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#C][C@][C][C@H1][Ring1][Ring1][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][P][O] |
CHEMBL4294532 | [C][N][C][C][N][Branch2][Ring1][S][C][=N][C][=C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2].[Cl] |
CHEMBL4294533 | [C][O][C@H1][C@H1][Branch2][=Branch2][#C][O][C@@H1][Branch2][#Branch1][P][C@H1][Branch2][#Branch1][Branch2][N][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][C][C][N][C][=Branch1][C][=N][N][Ring1][#Branch1][C@@H1][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][#Branch1][C][O] |
CHEMBL4294534 | [O][=C][Branch1][=C][C][C][=C][C][=C][Se][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Se][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring1][P] |
CHEMBL4294535 | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][O][=O] |
CHEMBL4294536 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring2][Ring1][S] |
CHEMBL4294619 | [N][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4294620 | [C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C][Branch2][#Branch1][Branch1][O][C][C][N][C][C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring2][#Branch1][C][C@@H1][Ring2][Ring2][=N][C][O][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Branch1][P][C@@][Ring2][Branch1][#C][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4294621 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CHEMBL4294622 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4294623 | [N][#C][C][=C][Branch1][C][N][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][N][Ring1][#C] |
CHEMBL4294624 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][=C][Ring1][Branch2][=N][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL4294708 | [O][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL4294709 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N] |
CHEMBL4294710 | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C@@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][C@][Ring1][S][Ring2][Ring1][=Branch1][C] |
CHEMBL4294711 | [C][O][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4294712 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4294713 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][/C][=C][/C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4294788 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294789 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][/C][Ring1][=N][=C][/C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br] |
CHEMBL4294790 | [C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][#C] |
CHEMBL4294791 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][=Branch1][C][C][C][C][O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring2][C][Ring2][Ring1][Branch2] |
CHEMBL4294792 | [C][C][=C][C][=C][Branch2][Ring2][O][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4294793 | [N][#C][C][Branch2][Branch1][=N][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][=C][C][=N][Ring2][Ring1][S][C][C][Ring2][Ring2][Ring1] |
CHEMBL4294874 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
CHEMBL4294875 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CHEMBL4294876 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][=Branch2][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][=C][C][=C][Ring2][Branch1][S][Ring2][Branch1][=Branch1] |
CHEMBL4294877 | [F][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][N][N][=N][C][=C][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S][=C][Ring2][Ring1][#Branch2] |
CHEMBL4294878 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][N][Ring1][#Branch2][C][=C][Ring2][Ring1][C].[Cl] |
CHEMBL4294969 | [C][N][C][=Branch1][C][=N][N][C@@][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][S][Ring1][=C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C][=O] |
CHEMBL4294970 | [O][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4294971 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][Ring2][C][C@H1][Ring2][Ring1][N][Ring2][Ring1][Branch2] |
CHEMBL4294972 | [C][C][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294973 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4295055 | [O][=C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][N][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4295056 | [C][O][C][C][C][=N][O][C][Branch2][Branch1][Ring1][C][C][N][/C][Branch1][C][C][=C][\C][=Branch1][C][=O][C][=C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][N][C@@][Ring1][#C][Branch1][C][C][C][Ring2][Ring1][Branch1][=O][=N][Ring2][Ring1][S] |
CHEMBL4295057 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295058 | [C][C][=C][C][=C][Branch2][Ring2][=C][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4295059 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=S][N][C][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL4295060 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4295061 | [C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4295062 | [C][C][=N][C][=C][C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Branch1][=Ring1][P] |
CHEMBL4295143 | [C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][C][=C][N][Ring1][Branch1][C][=Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295144 | [C][O][C][=C][C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4295145 | [C][C][C][C][N][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][N][=N][Ring1][P] |
CHEMBL4295146 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][N][Ring2][Ring1][N] |
CHEMBL4295147 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][Branch1][C][C][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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][Ring2][=Branch2][O][=O] |
CHEMBL4295222 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4295223 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4295224 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][Ring1][P][=N][C][=C][Ring2][Ring1][Branch2][C][C][=C][Ring2][Ring1][#C] |
CHEMBL4295225 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4297299 | [O][=C][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][Ring2][Ring1][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4297303 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][C][C][C][C][N][C][=Branch2][Ring1][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][N][=O][O][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2] |
CHEMBL4297304 | [C][O][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C@@H1][C][C@H1][C][=Branch1][C][=O][N][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][C][C@H1][Ring1][=N][/C][=C][/C][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][C][C][C][C][Ring2][Ring2][#C][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch2][C][Ring2][Ring2][=N] |
CHEMBL4297305 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][N][C][C][C][C][C][O] |
CHEMBL4297307 | [N][=C][N][Branch1][C][O][C@@H1][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C@@H1][N][=C][Branch1][C][N][N][C@][Ring1][=Branch1][N][Ring1][S][C][C][C][Ring1][Branch1][Branch1][C][O][O] |
CHEMBL4297309 | [C][C][Branch1][C][C][C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N].[O][=P][Branch1][C][O][Branch1][C][O][O] |
CHEMBL4297497 | [N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][=N][N][Ring2][Ring1][Ring2][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4297498 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][N][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4297499 | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@][Branch1][Ring2][N][=N+1][=N-1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@@H1][Branch1][C][C][C@@H1][Ring1][P][O][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL4293927 | [C][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4293928 | [C][C][C][C][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4293929 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][=C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][P] |
CHEMBL4293930 | [C][C][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch2][Ring1][=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][Branch1][Branch1][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][N] |
CHEMBL4294003 | [C][C][=C][C][=C][O][C][Branch2][=Branch1][Branch1][C][=C][C][=C][Branch2][Branch1][=Branch2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][P][=C][Ring2][Branch1][Branch1] |
CHEMBL4294004 | [C][O][C][=C][C][=C][C][Branch2][Branch2][C][C][O][C][=C][Branch2][=Branch1][=N][C][=C][C][=C][Branch2][Branch1][P][O][C][C][C][C][C][=C][N][Branch2][Ring2][P][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][#Branch1][C][=C][Ring2][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][N][=O][=C][Ring2][=Branch1][Branch1] |
CHEMBL4294005 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring1][N] |
CHEMBL4294006 | [C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][C][N][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=N][Ring2][Ring1][Branch2] |
CHEMBL4294007 | [C][N][C][Branch2][Ring2][#Branch1][C][O][P][=Branch1][C][=O][Branch2][Ring1][Branch1][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][Cl][C][C][Cl][=C][N][=C][Ring2][Ring1][=C][N+1][=Branch1][C][=O][O-1].[I-1] |
CHEMBL4294085 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C@@H1][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring1][P] |
CHEMBL4294086 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2] |
CHEMBL4294087 | [C][C][Branch2][Ring2][Branch1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294172 | [O][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][O] |
CHEMBL4294173 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4294174 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][O][C] |
CHEMBL4294175 | [C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][C][=Ring1][S][C][Ring2][Ring1][Ring2] |
CHEMBL4294268 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4294269 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL4294270 | [C][C][Branch2][Ring2][=Branch1][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4294271 | [Cl][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4294356 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4294357 | [C][C][C][C][N][C][N][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][S][C][Ring1][N][=S] |
CHEMBL4294358 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Ring1] |
CHEMBL4294359 | [C][C@H1][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][C][=N][C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][=C][=O][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4294446 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4294447 | [C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][Ring2][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4294448 | [C][O][C][=C][C][=C][Branch2][=Branch1][#C][/C][=N][/N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Ring1][=Branch2][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][O][C][C][C@@][Ring1][#C][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][S] |
CHEMBL4294449 | [C][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1] |
CHEMBL4294450 | [C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][O] |
Subsets and Splits
No saved queries yet
Save your SQL queries to embed, download, and access them later. Queries will appear here once saved.