chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4238865 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1].[I-1] |
CHEMBL4239130 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][N][=N][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] |
CHEMBL4239138 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][Branch2][Ring1][S][S][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][O][C][Ring2][Ring1][=C][=Ring2][Ring1][#Branch2] |
CHEMBL4239140 | [C][=C][C][=C][Branch1][=C][N][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] |
CHEMBL4239144 | [C][C@@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][#C][C@][Ring1][#Branch1][Ring1][=N][O][O][Ring1][=N][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@@H1][Ring2][Branch1][C][C@@][Ring2][Ring2][S][Ring1][Branch2][O][O][Ring1][Branch2] |
CHEMBL4239151 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4239430 | [C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][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][=Branch1] |
CHEMBL4239431 | [C][C][=C][C][Branch2][Ring2][=C][S][C][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][S][O][C][C][=Branch1][C][=O][O] |
CHEMBL4239439 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL4239441 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Branch1][C][C][C][Ring2][Ring1][N][=Ring2][Ring1][Ring2] |
CHEMBL4239443 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4239445 | [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][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][=N] |
CHEMBL4239718 | [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][C][C][/C][=C][/C][=Branch1][C][=O][O][C] |
CHEMBL4239725 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CHEMBL4239727 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][O][O][C][C][C][N][C][Branch1][C][C][=O][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4239729 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][Branch2][Ring1][O][C][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][N][=N][Ring2][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][N] |
CHEMBL4239984 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][Branch1][C][Cl][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4239986 | [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][Branch1][C][C][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Ring1][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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4239987 | [C][C][C][N][Branch2][=Branch1][Ring2][C][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][N][Branch2][Ring2][Ring2][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][Ring1][=C][C][=C][Ring2][Ring2][=Branch2][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O] |
CHEMBL4239989 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][#Branch2][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring2][Ring2][C] |
CHEMBL4239990 | [C][O][C][C][N][C][=C][Branch2][Ring2][#Branch2][C][=N][N][Branch2][Ring1][=Branch1][C][C][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][Ring1][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][N] |
CHEMBL4239993 | [N][#C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4240262 | [C][C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4240265 | [F][C][=C][C][=C][C][Branch2][Ring2][C][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O].[Br-1] |
CHEMBL4240266 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4240267 | [N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][=Branch1][C][=O][O] |
CHEMBL4240564 | [C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=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] |
CHEMBL4240565 | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240566 | [C][O][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][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] |
CHEMBL4240568 | [C][C][Branch2][Ring1][#Branch2][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][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL4240872 | [N][C][=C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][P] |
CHEMBL4240879 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][N][=Ring1][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][=C][Ring2][Ring1][#Branch2][C] |
CHEMBL4240883 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C] |
CHEMBL4240888 | [C][C][C][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][C][=O] |
CHEMBL4241124 | [C][=C][C][C][C@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][O][C][C][C][=C][C][O][C][Ring1][Branch1][=O][C][/C][=C][\C][=C][-/Ring2][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL4241131 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N][O] |
CHEMBL4241132 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][=C][C][C][C][C][C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][C] |
CHEMBL4241136 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][P] |
CHEMBL4241141 | [O][=C][Branch2][Branch1][Ring1][C][C][C][C][C][C][N][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][#Branch2][N][O] |
CHEMBL4241143 | [Cl][C][=C][C][=C][Branch2][Ring1][P][S][C][C][=N][NH1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4241410 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][S][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][#C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4241411 | [C][C][=C][C][Branch2][Ring2][Ring1][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][C][=C][Ring2][Ring1][N][O][C][C][=Branch1][C][=O][O] |
CHEMBL4241414 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][S][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2].[I-1] |
CHEMBL4241417 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N] |
CHEMBL4241707 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][C][Ring1][P][=C][Ring2][Ring1][N] |
CHEMBL4241713 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4241715 | [N][C@@H1][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4241718 | [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][N][=C][Ring2][Ring1][Branch2] |
CHEMBL4241719 | [O][=C][NH1][N][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4241721 | [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][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4241985 | [C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] |
CHEMBL4241990 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
CHEMBL4241991 | [C][C][=Branch1][C][=O][C][C][C@@H1][Branch1][S][C][=C][C@@][Branch1][C][C][Branch1][C][O][C][C][C][Ring1][Branch2][=O][C][Branch1][C][C][C] |
CHEMBL4241995 | [C][C][C][=C][C][=Branch2][Ring2][#C][=N][C][=C][C][=C][Branch2][Ring1][#C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][Ring1][P][C][=C][Ring2][Ring1][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring2][Branch1][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL4241998 | [N][#C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4242224 | [C][C][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][=C][Ring1][O] |
CHEMBL4242226 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=N][O][N][/C][Ring1][Branch1][=C][Branch1][Ring1][/N][O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2] |
CHEMBL4242227 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4242230 | [O][=C][Branch1][C][O][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL4242509 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] |
CHEMBL4242510 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4242518 | [N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4242521 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][Ring2][Ring1][Branch2][=Ring1][S] |
CHEMBL4242522 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=N][C][=N][C][O][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4242770 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][N][N][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4242783 | [C][C][C][=C][Branch2][Ring2][Ring2][C][O][C][=N][N][Branch1][C][C][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S][O][N][=Ring2][Ring1][O] |
CHEMBL4242791 | [C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][=Branch2][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C@H1][Ring1][P][C][C@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4242803 | [C][C][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] |
CHEMBL4242807 | [C][Si][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4243080 | [O][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][=Branch1][O][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][C][C][N][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4243081 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4243085 | [C][C][=C][C][=C][C][Branch2][#Branch2][Branch1][N][C][=C][Branch2][=Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][Branch2][O][C@@H1][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][Branch2][C][C][C@@][Ring2][Ring2][N][Branch1][C][C][C@][Ring2][Ring2][P][Branch1][C][C][C][C][Ring2][Branch1][N][N][=N][Ring2][=Branch1][Branch1][=C][Ring2][=Branch1][O] |
CHEMBL4243096 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][P][=C][Ring2][Ring1][Branch1][O][C][C][Ring1][=Branch1] |
CHEMBL4243112 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C@@][Branch1][Ring1][O][C][C][C][C@@][Branch2][Ring1][Branch1][C][C@][Ring1][Branch2][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][Branch1][C][Ring2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@][Ring2][Ring1][S][Ring2][Ring1][=N][Ring2][Ring1][#Branch1] |
CHEMBL4243350 | [O][=C][Branch2][Ring1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][O] |
CHEMBL4243351 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4243357 | [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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][O][Ring1][N] |
CHEMBL4243361 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][Si][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4243650 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4243655 | [O][=S][=Branch1][C][=O][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4243656 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=C][/C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][N][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][#C] |
CHEMBL4243658 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4243662 | [C][C][=C][C][Branch2][Branch1][Branch1][S][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring2][C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4243663 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][Se][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4243904 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4243905 | [C][=C][Si][Branch1][C][C][Branch1][C][C][O] |
CHEMBL4243907 | [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][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4243911 | [C][=C][Branch1][C][C][C@H1][Branch1][C][O][C][C][C@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C] |
CHEMBL4243912 | [C][C@H1][C][C][C][C][C@H1][Branch1][=Branch2][C][C][C][C][Branch1][C][Cl][Cl][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][C][C][C@H1][Branch1][=Branch2][C][C][C][C][Branch1][C][Cl][Cl][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][=C][Ring1][#Branch1][O][C@@H1][Ring2][Ring2][#C][O] |
CHEMBL4243915 | [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][Branch1][N][C][C][N][=N][Ring1][#Branch2] |
CHEMBL4243917 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][N][=C][\C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4244196 | [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4244198 | [C][C][C][N][C][C@H1][O][C][C@@H1][Ring1][=Branch1][C][C@][Ring1][=Branch1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CHEMBL4244199 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=N] |
CHEMBL4244200 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@][Branch1][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Ring2][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][=Branch2][C][C][=C][N][=C][NH1][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][#Branch1][C][C][Branch1][C][C][C][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CHEMBL4244201 | [N][C][C][=C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N] |
CHEMBL4244505 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4244521 | [O][=C][Branch2][=Branch1][=N][N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4244527 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][#C] |
CHEMBL4244528 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][F] |
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