chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4292989 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][/C][=N][/N][C][=Branch1][C][=N][S][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][N] |
CHEMBL4292990 | [C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][N][=N][Ring1][P][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4292991 | [C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][Ring1][#Branch2][=Branch1][C][=O][=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] |
CHEMBL4292992 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4293083 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][N] |
CHEMBL4293084 | [O][=C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][/C][Ring1][#Branch2][=C][/C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4293085 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=N][S][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][S] |
CHEMBL4293086 | [C][C][Branch1][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][#C][C][O][C][=N][O][C][C][Ring1][Branch1].[Br-1].[Br-1] |
CHEMBL4293087 | [C][O][C][C][O][C][C][O][C][C][N][Branch1][O][C][C][O][C][C][O][C][C][O][C][C][=C][C][=C][Branch2][Branch1][C][/C][=C][\C][C][/C][=Branch2][Ring2][Branch1][=C][\C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][O][C][C][O][C][C][O][C][C][O][C][C][C][O][C][C][O][C][C][O][C][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][P][=O][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4293088 | [C][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][Branch1][C][C][C][C][O][C][Branch1][C][O][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][Ring2] |
CHEMBL4293089 | [C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4293172 | [N][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4293173 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][#C] |
CHEMBL4293174 | [C][O][C][C][C][C][C][N][=C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][C][=Ring1][=C][Ring2][Ring1][C] |
CHEMBL4293175 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][N][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4293176 | [C][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293177 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][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][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4293251 | [C][C][=C][C][=N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4293252 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch1][S][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][O][=C][Ring1][#C] |
CHEMBL4293253 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][N][Ring2][Ring1][O] |
CHEMBL4293254 | [C][C][C][Branch1][C][O][C][N][C][C][O][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C] |
CHEMBL4293255 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][/C][=C][/C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293256 | [O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch2][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Ring2][Ring1][=C][O][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4293341 | [N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch2] |
CHEMBL4293342 | [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][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring2][C] |
CHEMBL4293343 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4293344 | [C][C][C][Branch1][C][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1] |
CHEMBL4293345 | [C][C][C@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4293346 | [C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4293417 | [C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Branch1][#C][C@H1][C][C][C@][Branch1][C][N][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1] |
CHEMBL4293418 | [C][O][C][N][=C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][S][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][C][Ring1][=C] |
CHEMBL4293419 | [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][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4293420 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4293421 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL4293422 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][#Branch2][C][N][Branch2][#C][=Branch1][C][C][=Branch1][C][=O][N][Branch2][=C][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][=Branch1] |
CHEMBL4293514 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
CHEMBL4293515 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][Ring2][O][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Branch1][Ring1][Ring2][Ring2][=Branch2] |
CHEMBL4293516 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C@][Branch1][C][O][C][C@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Branch1][=Branch2][C][Ring2][Ring1][#Branch2][Branch1][C][C][C] |
CHEMBL4293517 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4293518 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2] |
CHEMBL4293519 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] |
CHEMBL4293520 | [C][/C][=C][/C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@@H1][C][C@@][Ring1][Ring1][Ring1][=N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][=Branch1][=C][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][Ring2][Branch1][C][C][C] |
CHEMBL4293597 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][/C][=N][/N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][N] |
CHEMBL4293598 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][P][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4293599 | [C][C][C@@H1][Branch1][Ring1][C][O][N][C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=C][N][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2] |
CHEMBL4293600 | [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][N+1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C] |
CHEMBL4293687 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4293688 | [C][C][=C][N][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4293689 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][C][=N][Ring1][#C] |
CHEMBL4293777 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][C][C@@H1][Branch2][Ring2][N][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][S][Ring2][Ring1][P] |
CHEMBL4293778 | [C][C][Branch1][Ring2][N][C][#N][C][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4293779 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][=Branch1][C][=O][C@H1][Branch2][N][S][C][C][C][N][C][=C][Branch2][N][C][C][O][C][C][=C][N][Branch2][O][Ring2][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][Branch2][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][Ring2][#Branch1][Ring2][=O][N][=N][Ring2][#Branch1][=N][N][=N][Ring2][Branch2][Branch1][N][C][Ring2][=N][=Branch2][=O] |
CHEMBL4293780 | [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4293781 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4293782 | [C][C][=C][C][Branch1][C][C][=N+1][C][Ring1][=Branch1][=C][C][=C][C][=C][Branch2][=N][=C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][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][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][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][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][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][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][N][Ring2][=Branch2][N][B-1][Ring2][=Branch2][S][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4293783 | [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][Ring1][#C][C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=Ring1][=N][N][=N][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Branch1][Branch1][Ring2][Ring2][O] |
CHEMBL4293865 | [C][O][C][C][N][/C][=Branch1][#C][=C][/N][=C][N][Branch1][Branch1][C][C][O][C][C][Ring1][=Branch2][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][I] |
CHEMBL4293866 | [C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293867 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N][=C][Ring2][Ring2][=Branch1] |
CHEMBL4293868 | [C][C][=C][N][Branch2][Branch1][#Branch2][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring2][Ring2][C@@H1][Branch1][C][C][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Ring1][P][C][Ring2][Ring1][O][=O][C][=N][Ring2][Ring2][Ring2] |
CHEMBL4293869 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C] |
CHEMBL4293870 | [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4293871 | [C][=C][N][C][Branch1][C][O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][/C][=Branch1][Ring1][=C][/C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][C][S][C][C@@H1][Branch3][Ring1][=Branch2][=N][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch3][Ring1][Branch1][=Branch1][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][C][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][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][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][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][N][=O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][N][=N][Ring2][=C][=C][C][S][C@H1][Ring2][S][=C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring3][Ring1][Ring1][N][=O] |
CHEMBL4293872 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][P][=O] |
CHEMBL4288904 | [O][=C][Branch2][Ring1][Branch2][N][/N][=C][/C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Ring1][Branch1][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4288905 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=N][N][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=N][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1] |
CHEMBL4288906 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4288907 | [C][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][C][Branch2][Ring1][S][N][N][=N][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][O][Ring1][N][=C][Ring1][P][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4288908 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring2][Ring1][Ring2][Ring1][#C] |
CHEMBL4288909 | [C][C][C][C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4288910 | [C][N][Branch1][C][C][C][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4288911 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4288990 | [N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4288991 | [C][O][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1] |
CHEMBL4288992 | [C][O][C][=C][C][=C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][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][=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][C][=C][Ring2][Ring2][O][O][C] |
CHEMBL4288993 | [C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=C][Branch1][C][\F][S][=Branch1][C][=O][=Branch1][C][=O][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][O] |
CHEMBL4288994 | [C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4288995 | [C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@@H1][C@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][N][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][N][N][C][=Branch1][C][=N][N] |
CHEMBL4289078 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][/C][=C][\S][/C][=Branch1][=N][=N][\C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][Ring1][=N][=O][C][=C][Ring2][Ring1][S] |
CHEMBL4289079 | [C][C][C][N][C][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] |
CHEMBL4289080 | [C][O][C][=Branch1][C][=O][C@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4289081 | [C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] |
CHEMBL4289155 | [C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][O][C][Ring1][#Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][S] |
CHEMBL4289156 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][S].[Cl] |
CHEMBL4289157 | [C][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][C@H1][Ring2][Ring2][=C][O][C][C][Branch1][C][C][C] |
CHEMBL4289158 | [C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][N][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][Ring2][=Branch2][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][Ring2][Branch1][=C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C@H1][Ring2][#Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring2][Branch2][=Branch1] |
CHEMBL4289159 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289160 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4289239 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Ring1][#Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4289240 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][C][=C][Ring2][Ring1][#Branch1][N] |
CHEMBL4289241 | [C][N][C][=C][C][=C][Branch2][Ring2][P][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][N][C][=C][N][=C][Ring2][Ring2][Ring1][Ring2][Ring2][=Branch1] |
CHEMBL4289242 | [C][O][C][=C][C][=C][Branch2][Branch1][C][C][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4289243 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4289244 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=Ring1][=N][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4228819 | [C][=C][N][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][S][Ring1][=C][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4228820 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C@H1][O][C][C@H1][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][O][Ring1][#C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4228821 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4228822 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4228903 | [C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4228904 | [C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.