chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4290193 | [C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290194 | [N][C][O][C][=C][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4290195 | [C][C@@H1][Branch1][C][O][C][C][/C][=C][/C][C][C][/C][=C][/C][=C][/C][=Branch1][C][=O][N][/C][=C][/C][=Branch1][C][=O][N][C][C@H1][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@@H1][Branch1][C][N][C][N][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4290275 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290276 | [C][C][C][S][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][N][=N][Ring2][Ring1][=N] |
CHEMBL4290277 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4290278 | [O][=C][NH1][C][Branch1][Branch1][N][C][C][O][=N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][P][Ring1][=Branch2] |
CHEMBL4290360 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][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] |
CHEMBL4290361 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Branch2][N][C][=C][Ring2][Ring1][#C] |
CHEMBL4290362 | [C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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] |
CHEMBL4290363 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4290364 | [O][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring2][Ring2][Ring1][#Branch1] |
CHEMBL4290462 | [C][C][C][C][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] |
CHEMBL4290463 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][/C][=C][\N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch2][Ring1][=Branch2][N][C][Branch1][C][C][=N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][S] |
CHEMBL4290464 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4290465 | [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][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL4290539 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][O][C][Ring1][#Branch1] |
CHEMBL4290540 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][O][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N] |
CHEMBL4290541 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][#C][C][C][C][C][N][C][/C][=Branch1][N][=N][\N][C][=Branch1][C][=S][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=C] |
CHEMBL4290622 | [C][C][C][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring1][Branch1][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290623 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=N][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL4290624 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][#Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4290625 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][S][C][Ring2][Ring1][Branch1] |
CHEMBL4290626 | [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][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][=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][Ring2][=Branch2][N][=O] |
CHEMBL4290628 | [C][O][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][P][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4290629 | [C][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][S][C] |
CHEMBL4290715 | [C][C][=C][N][Branch2][Ring2][S][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C][C][Ring2][Ring1][#Branch1][=O][C][=N][Ring2][Ring1][S] |
CHEMBL4290716 | [N][C][=N][C][=C][Branch2][Ring2][O][N][=C][N][Ring1][Branch1][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Ring1][=N][O][C][C@@H1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][#C] |
CHEMBL4290717 | [O][=C][Branch2][Ring1][C][/C][=C][\N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] |
CHEMBL4290803 | [O][=C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][Cl][=C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] |
CHEMBL4290804 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=N][N][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C][C][=N][C][=Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring2][C][Ring1][=Branch1] |
CHEMBL4290805 | [Cl][C][=C][C][=C][Branch2][Ring2][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][O][C][C@@H1][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring2][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][P] |
CHEMBL4290806 | [C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4290807 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4290898 | [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][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2] |
CHEMBL4290899 | [C][N][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][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4290900 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C][C][C][N][Branch1][C][C][C] |
CHEMBL4290901 | [C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][N][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL4290902 | [C][O][C@@H1][O][C@H1][Branch2][Ring2][C][C][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@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring2][Ring2][Ring1][Ring1][#Branch1] |
CHEMBL4290903 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4290904 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][NH1][C][Branch1][S][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][=C] |
CHEMBL4290996 | [C][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL4290997 | [F][C][Branch1][C][F][C][C][Branch2][Branch1][#Branch1][C][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][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4290998 | [C][O][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][N][Ring1][P][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4291087 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4291088 | [C][N][C][=Branch1][C][=O][/C][=Branch1][P][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=C][Ring1][S][N] |
CHEMBL4291089 | [C][N][Branch2][Ring1][C][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291090 | [C][O][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1] |
CHEMBL4291091 | [C][C][C][S][C][=C][C][=C][NH1][C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL4291177 | [O][=C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][N][=C][N][Ring2][Ring1][Branch1][C][C][O][C][C][O] |
CHEMBL4291178 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4291179 | [C][N][C][=N][C][=C][Ring1][Branch1][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4291180 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][S][=N][Ring2][Ring1][=Branch1] |
CHEMBL4291181 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch2][Branch2][=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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][Branch1][C][N][=O][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][C][C][N][C][Branch1][C][N][=O][C][Ring2][=Branch1][N][=O] |
CHEMBL4291182 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=N][/N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O][Ring2][Ring2][C] |
CHEMBL4291262 | [O][=C][N][C][=Branch1][C][=O][/C][=Branch2][Ring2][Ring2][=C][/C][=C][C][=C][Branch2][Ring1][Ring2][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][O] |
CHEMBL4291263 | [C][C][C][=N][C][=C][Branch2][Ring2][#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][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][N][=C][Ring2][Ring2][Branch2][NH1][Ring2][Ring2][O] |
CHEMBL4291264 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
CHEMBL4291265 | [C][C][C][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][C][C][C@][Branch1][C][N][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4291343 | [C][N][Branch2][Ring2][N][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4291344 | [N][#C][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][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] |
CHEMBL4291345 | [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][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4291346 | [C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4291427 | [C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4291428 | [C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4291429 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Ring2][N+1][C][C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] |
CHEMBL4291430 | [C][C][C][C][C][S][C][=C][C][=C][N][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][O][C][C][C][S][C][Ring1][N][=C][Ring1][S] |
CHEMBL4291510 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4291511 | [C][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4291512 | [O][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch2] |
CHEMBL4291513 | [C][C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][N][C][=Branch1][C][=O][/C][=C][/C@@H1][C][C][C][N][Ring1][Branch1] |
CHEMBL4291514 | [C][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][S][C][=Ring2][Ring1][#C][C] |
CHEMBL4291591 | [C][N][Branch2][Ring2][Ring1][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291592 | [C][C][C][C][C][C][C][C][O][C@@H1][C@@H1][Branch1][C][N][C@@H1][Branch2][Ring2][=Branch2][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Ring2][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][Ring1][#C][O] |
CHEMBL4291593 | [O][=C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4291594 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=N][N][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4291595 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring2][C][O][C][C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][Ring2][Ring2][O][=C][Ring2][Ring2][P] |
CHEMBL4291596 | [O][=S][=Branch1][C][=O][C][C][C][Branch2][Ring2][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4291597 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][Branch2][Ring1][C][C][=C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][O][Ring1][Branch2][P][=Branch1][C][=O][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1] |
CHEMBL4291598 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][O][C@][Ring1][S][Branch1][C][C][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring2][Branch2][C] |
CHEMBL4291675 | [C][C][=C][C][=C][C][Branch2][Branch1][Branch2][C][=N][N][C][=Branch2][Ring2][C][=C][Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring1][P][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][C] |
CHEMBL4291676 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4291677 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][C][C][C][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][Ring1][Branch2][=C][Branch2][Ring1][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=Ring1][Branch2][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4291678 | [O][=C][Branch1][C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4291679 | [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] |
CHEMBL4291680 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Branch2][=C][C@@H1][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][C][C@@H1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][-/Ring2][Branch1][=C][C][C][Branch1][Ring1][O][C][=C][Ring2][=Branch1][=Branch2] |
CHEMBL4291764 | [C][C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4291765 | [F][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4291766 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][C][#C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2] |
CHEMBL4291767 | [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][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4291847 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][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] |
CHEMBL4291848 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][Ring1][N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4291849 | [C][C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][N][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][=C] |
CHEMBL4291850 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] |
CHEMBL4291929 | [O][=C][C][=C][C][=C][C][=C][Branch1][P][O][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2] |
CHEMBL4291930 | [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][S][Ring1][S] |
CHEMBL4291931 | [O][=C][Branch2][Ring1][N][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4291932 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch1][P][O][C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
CHEMBL4292023 | [O][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring1][S][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][N] |
CHEMBL4292024 | [O][=C][NH1][NH1][C][=C][Ring1][Branch1][C][C][C][C][C][Branch1][Branch2][C][C][Ring1][=Branch2][C][Ring1][=Branch1][C][Ring1][=Branch2] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.