chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL1163388 | [O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][Ring1][=C] |
CHEMBL4559968 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C] |
CHEMBL11752 | [N][C][=N][C][=Branch1][C][=O][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Br][C][Ring1][Branch2][O][C][=C][Ring1][S][F] |
CHEMBL11753 | [C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N] |
CHEMBL11754 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][Ring1].[Br-1] |
CHEMBL11755 | [C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL11688 | [C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O] |
CHEMBL11774 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11775 | [C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][S][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C@H1][C][C][C@@H1][Ring2][Ring1][=Branch2][C@@H1][Ring2][Ring1][Branch2][Ring1][Branch1] |
CHEMBL11776 | [F][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][S][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL11708 | [C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL11709 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N] |
CHEMBL11710 | [O][=C][Branch1][C][O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11794 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11795 | [C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O] |
CHEMBL11734 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL1163386 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4559979 | [C][C][=N][NH1][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL11820 | [N][#C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL11838 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][S][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL11839 | [O][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11840 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Ring2][C][O][C][=C][Ring2][Ring1][#... |
CHEMBL11841 | [C][=C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11842 | [C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL11778 | [O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O] |
CHEMBL11863 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N] |
CHEMBL11864 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][S][NH1][Ri... |
CHEMBL11865 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] |
CHEMBL11866 | [C][C][C][N][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N] |
CHEMBL11796 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=N] |
CHEMBL11797 | [C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][Ring1][=C][\C][C][=Branch1][C][=O][O] |
CHEMBL11798 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL11888 | [C][O][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL11890 | [N][N][C][Branch2][Ring1][N][S][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring2][Ring1][N][=O] |
CHEMBL504 | [C][S+1][Branch1][C][C][O-1] |
CHEMBL11821 | [O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2] |
CHEMBL1163396 | [O][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][Ring1][=C] |
CHEMBL11906 | [C][C][=Branch1][C][=O][S][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL11908 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N] |
CHEMBL11909 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] |
CHEMBL11910 | [C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][=Branch1][C][=O][O] |
CHEMBL11932 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch2][=C][\C][C][C][C][C][N][C][=N][C][=Branch1][C][=O][O] |
CHEMBL11933 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl-1] |
CHEMBL11934 | [O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][N][C][Ring1][Branch2] |
CHEMBL11935 | [N][N][C][Branch2][Ring1][#Branch1][S][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL11936 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][O][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][N][C][C][Ring2][Ring1][=Branch1] |
CHEMBL11938 | [S][C][=N][C][C][C][N][Ring1][=Branch1] |
CHEMBL11867 | [C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL11950 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N][O] |
CHEMBL11951 | [C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][C][C][C][#N][C][=Branch1][C][=O][O] |
CHEMBL11952 | [C][C][C][C][N][C][C][C][N][Branch1][Branch1][C][C][C][C][C][Ring1][#Branch2][=O] |
CHEMBL11953 | [C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL11954 | [C][C][=Branch1][C][=O][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#C][Cl] |
CHEMBL11891 | [O][=C][Branch1][C][O-1][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][/C][=C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][N][=N][Ring1][Branch1].[Na+1] |
CHEMBL11892 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11974 | [C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O] |
CHEMBL11976 | [C][C][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O] |
CHEMBL11977 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][Ring1].[Br-1] |
CHEMBL1163425 | [C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring2][Ring2][C][C][=B... |
CHEMBL12004 | [F][C][=C][C][=C][Branch2][Ring2][=C][C][Branch2][Ring1][#C][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C] |
CHEMBL12005 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch2][Ring1][=Branch1][C][S][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Bran... |
CHEMBL12006 | [C][C][=Branch1][C][=O][S][C][C][C][C][C][N][Branch1][P][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] |
CHEMBL12007 | [C][O][C][C][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N][C][=C][Ring2][Ring2][Branch2] |
CHEMBL11665 | [N][C][Branch2][Ring1][=Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O] |
CHEMBL11666 | [N][C][Branch2][Ring1][Ring1][C][C][C][C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O] |
CHEMBL11667 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O] |
CHEMBL11668 | [C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][O][C][=C][Ring1][P][Cl] |
CHEMBL11669 | [C][O][C][=C][C][=C][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11670 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1] |
CHEMBL11955 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][S][N][Branch1][#Branch1][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][N][=N][Ring1][#C] |
CHEMBL1163384 | [O][=C][Branch2][Ring1][C][N][C][C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL11689 | [C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=Branch1][C][=O][N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL11690 | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11691 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] |
CHEMBL4560042 | [C][N][Branch1][C][C][C][=Branch1][C][=S][S][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4560043 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][Ring2] |
CHEMBL11978 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL11979 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][=C] |
CHEMBL11981 | [C][C][N][C][C][C][C][N][Branch1][Ring1][C][C][C][Ring1][=Branch2][=O] |
CHEMBL11982 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |
CHEMBL11713 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][O][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12008 | [C][C][O][C][=Branch1][C][=S][S][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12009 | [C][C][=Branch1][C][=N][N][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11735 | [C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11736 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11756 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL11757 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Branch1][N][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL11758 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C][=Branch1][C][=O][=O] |
CHEMBL11759 | [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C]... |
CHEMBL11760 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] |
CHEMBL11692 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL11693 | [S][C][=N][C][C][C][C][N][Ring1][#Branch1] |
CHEMBL11779 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL11781 | [C][/C][=C][Branch2][Ring1][Ring2][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL11714 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][P][O][Ring2][Ring1][=N] |
CHEMBL11716 | [F][C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL11799 | [C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] |
CHEMBL11801 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][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][C@@H... |
CHEMBL11737 | [C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][=C][N][Ring1][P][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL11738 | [O][=C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring1][P] |
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