chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4294635 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][O][O] |
CHEMBL4294636 | [C][C][Branch2][Ring1][#Branch2][C][S][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][N][C][=Branch1][C][=O][N][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4294637 | [C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4294638 | [N][#C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][N][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] |
CHEMBL4294639 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S] |
CHEMBL4294640 | [C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Branch2][Ring1][P][N][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=Branch2] |
CHEMBL4294726 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][N][Ring1][#C] |
CHEMBL4294727 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][C@H1][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][F][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S] |
CHEMBL4294728 | [C][C][C][C][C][O][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4294729 | [C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][=N] |
CHEMBL4294730 | [C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C] |
CHEMBL4294802 | [C][O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=N][/N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4294803 | [C][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4294804 | [O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][O][Ring1][S] |
CHEMBL4294805 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][C][=C][N][Branch2][Branch1][=C][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][N][=N][Ring2][Ring2][Branch2] |
CHEMBL4294806 | [C][C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4294807 | [C][C][Branch1][C][C][N][Branch1][C][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4294891 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][Branch1] |
CHEMBL4294892 | [C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4294893 | [C][C][Branch1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C@@][Branch1][C][C][C@H1][Ring1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C][C@@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Ring1][P][Branch1][C][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C] |
CHEMBL4294894 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][N][=C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][S][Ring1][N] |
CHEMBL4294986 | [F][C][=C][C][=C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S] |
CHEMBL4294987 | [O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Br][S][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4294988 | [C][C][C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O] |
CHEMBL4294989 | [Cl][C][=C][C][=C][C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
CHEMBL4295073 | [C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4295074 | [C][C][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4295075 | [C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4295076 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F] |
CHEMBL4295077 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL4295078 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][P][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4295157 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4295158 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch2][Ring1][Ring1][C][C][C][C][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4295159 | [C][C][C@H1][Branch1][C][C][C@@H1][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][Branch2][Branch1][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][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][=N][=O] |
CHEMBL4295160 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4295161 | [N][#C][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][C] |
CHEMBL4295162 | [C][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][#Branch1][C][C] |
CHEMBL4295235 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][\C][C][C][/C][=Branch1][=C][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4295236 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Ring1][P][C][#N] |
CHEMBL4295237 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4295238 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][N][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][#C] |
CHEMBL4295239 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][P] |
CHEMBL4295240 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4297327 | [C][O][C][C][C][N][C][C][C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][O][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4297329 | [C][C@][Branch1][C][O][C][C@@][Branch1][C][N][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][Branch1][N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][#C] |
CHEMBL4297330 | [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][N] |
CHEMBL4297333 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4297336 | [C][11C][=Branch1][C][=O][O] |
CHEMBL4297529 | [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][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][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4297530 | [C][C][O][C@@H1][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4297532 | [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][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][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][Ring1][P][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][#C][=O] |
CHEMBL4297538 | [C][O][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C@@H1][C][C][C@@][Branch2][Ring1][#Branch2][C][N][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4297540 | [N][#C][C][C][C][S][C][=Branch1][C][=N][N] |
CHEMBL4293941 | [C][C][C][Branch1][C][C][C][C][=N][C@@H1][Branch2][Ring1][O][C][C][C][C][N][C][C@@H1][Branch1][C][C][N][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][C][C][Ring1][=N][=S][C][N][Ring2][Ring1][#Branch1] |
CHEMBL4293942 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][=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][C][Ring1][Ring1] |
CHEMBL4293943 | [C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][=N][C][=C][Branch1][#Branch1][N][=C][Ring1][=Branch1][Ring1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#Branch1] |
CHEMBL4293944 | [O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4293945 | [C][O][C][=C][C][=C][C][Branch2][=Branch2][Branch2][N][C][=C][Branch2][Branch2][=N][C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][O][O][C@@H1][O][C@H1][Branch2][Ring1][C][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][P][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][Ring2][Branch1][Branch1][N][=N][Ring2][Branch1][=C][=C][Ring2][=Branch1][Ring2] |
CHEMBL4294021 | [C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][C][N][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1] |
CHEMBL4294022 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][P][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4294023 | [C][C][Branch1][C][C][C][C][=C][N][N][=C][N][=C][Branch2][Ring1][Ring2][N][C@H1][C][C][C@H1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL4294024 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][P][C][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Branch1][C][Cl][=C][Ring2][Ring1][=C][Cl] |
CHEMBL4294025 | [C][C][C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4294097 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4294098 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4294099 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch1][=Branch2][N][C@@H1][C][C][N][C][Ring1][Branch1][=N][Ring1][N] |
CHEMBL4294100 | [O][=S][=Branch1][C][=O][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4294185 | [C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O] |
CHEMBL4294186 | [C][C][=C][NH1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4294187 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4294188 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S] |
CHEMBL4294189 | [N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch3][Ring1][Ring1][#Branch2][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][S][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][=N][=C][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][O][C][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][Branch2][=Branch1][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch2][Branch1][#Branch2][O][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][#C][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C][O][C@H1][Branch1][#C][O][C@H1][Ring2][#Branch2][Ring1][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][=Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][P][O][C@H1][Branch1][C][O][C@H1][Ring2][O][#Branch2][O][N][=N][Ring2][N][Branch1] |
CHEMBL4294281 | [O][=C][Branch2][Ring1][#Branch2][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][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4294282 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][S][C][C][Ring1][=Branch1] |
CHEMBL4294283 | [C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4294284 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring1][P] |
CHEMBL4294285 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][F][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch1][Ring1][C][#N][C][Ring1][=Branch2] |
CHEMBL4294374 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][P][C][=Branch1][C][=O][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][Ring2][Ring1][#Branch2] |
CHEMBL4294375 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][C][=C][Ring1][S] |
CHEMBL4294376 | [C][C][C][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][Ring1][P][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C] |
CHEMBL4294377 | [C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4294461 | [C][C][Branch2][Ring2][N][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring2][Ring1][=N] |
CHEMBL4294462 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=C][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][=N][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4294463 | [C][C][Branch1][C][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4294464 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Branch1][P][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][N][=N][Ring2][Ring2][#Branch1] |
CHEMBL4294465 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4294555 | [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4294556 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][C][Ring1][Ring1] |
CHEMBL4294557 | [C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Branch1][Branch2][N][C][=C][Branch2][Ring2][=N][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C@@][C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][Branch2][C][C][C@@H1][Ring1][=C][Ring1][=Branch2][C][Ring1][#Branch2][N][=N][Ring2][Ring1][=N][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][O][O][C][Branch1][C][C][=O] |
CHEMBL4294558 | [C][C][C][O][C][=C][C][=C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=Branch1] |
CHEMBL4294641 | [C][C][N][C][=C][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL4294642 | [F][C][Branch1][C][F][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4294643 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4294644 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@@H1][Branch1][C][O][C][Ring1][Branch2] |
CHEMBL4294645 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1] |
CHEMBL4294731 | [O][=C][Branch1][#C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4294732 | [F][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][C][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][N][F] |
CHEMBL4294733 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4294734 | [C][C][=C][C][Branch1][=N][/C][=C][\N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][Branch1][C][C][N][Ring1][=C][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S] |
CHEMBL4294735 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.