chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4242403 | [O][=C][Branch2][Ring2][Branch2][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4242404 | [N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4242405 | [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4242409 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1][C] |
CHEMBL4242416 | [C][C][#C][C][N][C][Branch1][N][N][C][C][C][C@@H1][Branch1][C][N][C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=C][N][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][N][=N][Ring1][O][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4242675 | [C][=C][C][O][C][=C][Branch1][Ring2][O][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C] |
CHEMBL4242677 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][Branch1][#C][/C][=N][/N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4242683 | [C][C][C][C][N][Branch2][Branch1][Ring2][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][=N][C][C][Ring2][Ring2][Ring1] |
CHEMBL4242687 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][S][Ring1][Branch1] |
CHEMBL4242688 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4242968 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4242974 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring2][=Branch2][N][C][=N][C][=N][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][N][=C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][Ring2][Ring1][=C] |
CHEMBL4242982 | [O][=C][Branch2][Ring1][=Branch2][N][/N][=C][\C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4242984 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][O][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4242985 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] |
CHEMBL4243258 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=N][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C] |
CHEMBL4243259 | [O][=C][Branch1][C][O][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] |
CHEMBL4243261 | [Cl][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][S][=N][Ring2][Ring1][S] |
CHEMBL4243266 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][N][=N][Ring1][=N][O][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4243541 | [C][O][C][=C][C][=C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring1][S] |
CHEMBL4243545 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] |
CHEMBL4243548 | [C][C@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4243549 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][S][S][C][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][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][#Branch2][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][O][#C][=O] |
CHEMBL4243550 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][#Branch1][C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring2][P][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][C][=C][C][N][C][C][C@][Ring2][Ring1][Branch2][Ring1][S][C@H1][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring2][#C][C][Ring2][Branch1][Ring1] |
CHEMBL4243556 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][C] |
CHEMBL4243835 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][=C][Ring1][=C][C][Ring2][Ring1][O][=Ring1][P][C][O][Ring2][Ring1][S] |
CHEMBL4243837 | [O][=C][Branch2][Ring2][Branch1][N][C@@H1][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] |
CHEMBL4243838 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][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][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][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@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C] |
CHEMBL4243842 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4243843 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4243844 | [O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][=N][O][C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring1][S][Ring2][Ring2][Ring1] |
CHEMBL4244096 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][#C][O][C@H1][C@H1][Branch2][#Branch1][#Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][C][C@][Ring2][Ring1][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][=N][Branch1][C][C][C][O][C][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][=Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][N][O] |
CHEMBL4244099 | [C][O][C][=C][C][Branch2][Ring2][C][/C][=C][/C][=Branch1][C][=O][/C][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][O][O][C][Branch1][C][C][=O] |
CHEMBL4244103 | [O][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4244106 | [O][=C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4244107 | [C][=C][C][=C][C][=C][Branch2][Ring1][=N][/N][=C][\C][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][#Branch1][C][N][Ring1][S][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2][C][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4244382 | [O][=C][C][=C][C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring1][S][N][=C][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4244384 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4244388 | [C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=Ring1][=N][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4244393 | [C][O][C][=C][C][Branch2][Ring1][O][N][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][F] |
CHEMBL4244682 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
CHEMBL4244687 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4244691 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4244692 | [C][C][Branch1][C][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4244693 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4244696 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C@@][Branch1][C][O][Branch2][Ring1][N][/C][Branch1][Ring1][C][O][=N][/N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][C@@H1][Ring2][Ring1][#C][O][C][C][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4244698 | [C][N][C][=C][C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N][=N][Ring2][Ring2][Branch1] |
CHEMBL4245010 | [Cl].[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245012 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][S][Ring1][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch1] |
CHEMBL4245027 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4245029 | [C][=C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL4245033 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4245270 | [O][=C][Branch2][Ring1][=N][N][C@H1][Branch1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4245277 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][O][C][C][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4245291 | [C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring2][C] |
CHEMBL4245292 | [O][=C][NH1][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4245293 | [C][S][C][C][C@H1][Branch2][=Branch2][N][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][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][S][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][Branch1][#Branch1][C][C][Branch1][C][C][C][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4245595 | [O][=C][NH1][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4245601 | [C][C][=C][C][Branch2][Ring2][Ring2][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=N][O][C][C][=Branch1][C][=O][O] |
CHEMBL4245602 | [C][C][=C][C][Branch2][Ring2][N][N][C][C][Branch2][Ring1][S][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch1][=O][=C][C][=C][Ring2][Ring1][=N][C][#N] |
CHEMBL4245604 | [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4245607 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C@H1][Ring1][#Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4245876 | [C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][C][Ring1][N][=Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4245878 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][N][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4245882 | [C][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][S][Ring2][Ring1][Branch1] |
CHEMBL4245883 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4245885 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4246169 | [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C] |
CHEMBL4246174 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][N][C][=C][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][N][=N][Ring1][=C] |
CHEMBL4246176 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][C][C] |
CHEMBL4246177 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4246185 | [C][C][C][N][Branch2][=Branch1][P][C][C][C][=C][C][=C][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][N][Branch2][Ring2][P][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][N][=C][C][Branch1][=N][C][#C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][=C][N][=N][Ring2][Ring2][=Branch2][C][=C][Ring2][Branch1][Ring2][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
CHEMBL4246187 | [C][O][/N][=C][\C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Ring1][#C] |
CHEMBL4246423 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=O] |
CHEMBL4246425 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch1] |
CHEMBL4246432 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][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][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4246433 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][C][Branch1][C][O][C@@][Branch1][C][C][C][C@@][C][C][C@][Ring1][#Branch1][Branch1][Ring1][O][C][C@@H1][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C@@][Ring1][O][Ring1][P][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@@H1][Ring2][Ring1][=Branch2][C][Ring1][N][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4246442 | [C][/C][=Branch2][Ring2][Ring2][=C][/C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4246730 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch1][#C][/C][=N][/N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4246740 | [C][C][C@][Branch1][C][C][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][Branch1][C][C][C][C@][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Branch1][N][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][Ring1][N][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][Branch1][O] |
CHEMBL4246741 | [C][C][=C][N][=C][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring1][S][N][C@@H1][C][C@H1][C][C][C@H1][Branch1][Ring2][N][Ring1][Branch1][C@H1][Ring1][Branch2][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][NH1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring2][Ring1][#C][=Ring1][Branch2][=C][Ring2][Ring2][Branch1] |
CHEMBL4246747 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4246749 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][C][C][=N][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring2][C] |
CHEMBL4246752 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][O][S][Ring1][N][=C][C][=Ring1][P][N][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][P] |
CHEMBL4246753 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][P][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][C][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4247042 | [C][C][C][C][C][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1] |
CHEMBL4247044 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247047 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch1][=N][/C][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4247049 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Ring2][P][=O][C@@H1][Branch1][C][C][O] |
CHEMBL4247050 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][Branch1][C][C][=C][N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][C] |
CHEMBL4247304 | [C][C][=N][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring1][O] |
CHEMBL4247307 | [C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4247308 | [C][N][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][F][C][Ring1][=Branch1][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][O] |
CHEMBL4247310 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][P][C][O][C@H1][C][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][C@@H1][Ring1][S][O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4247312 | [O][=C][Branch2][Ring2][Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][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][Ring1][P][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4247327 | [C][O][C][=C][C][=C][C][Branch2][Ring2][C][O][C][C][=N][N][=C][S][C][Branch1][P][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Ring1][#Branch2][=N][N][Ring2][Ring1][C][Ring1][#C][=C][C][=N][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4247328 | [C][O][C][=N][C][=C][Branch2][Ring2][O][C][=C][C][Branch2][Ring1][#Branch1][O][C][C@@H1][C][C][C][N][Branch1][O][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][Ring1][N][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4247672 | [C][C][Branch1][C][C][=C][C][C@@][C][C@@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C@@H1][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4247673 | [C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][Branch2][C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][C@@H1][Branch1][C][Cl][C][N][C][C][C@][Ring2][Ring1][#C][Ring2][Ring1][#Branch1][C@@H1][Ring1][Branch1][Ring1][N][C][Ring2][Branch1][=Branch1][C][Ring2][Branch1][#Branch2] |
CHEMBL4247682 | [C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][S][C][Ring2][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.