chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4247268 | [N][#C][C][=C][C][=C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=C] |
CHEMBL4247270 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch2][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4247275 | [O][=C][NH1][C][=C][Branch2][Ring2][O][N][C][C][N][Branch2][Ring1][#C][C][C][C@@H1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][S][O][Ring2][Ring2][Ring1] |
CHEMBL4247625 | [C][N][C][=C][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][=N][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL4247628 | [C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][N][=C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4247631 | [C][C][C@H1][Branch1][C][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][Branch2][#Branch1][#Branch1][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][#Branch1][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][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][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] |
CHEMBL4247633 | [O][=C][Branch1][=Branch1][N][C][C][C][Br][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
CHEMBL4247636 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][O][O][C@H1][C@H1][Branch2][#Branch1][=Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][C][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][O][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][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][S][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#Branch2][O] |
CHEMBL4247637 | [C][C][C][C][C][C][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][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] |
CHEMBL4247640 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][C][C][C][=N][C][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][C][=C][Ring1][O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=C] |
CHEMBL4247642 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C@@][C][/C][=Branch1][#C][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C@@][Branch1][C][C][Branch1][#Branch2][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][Ring2][Ring1][Ring1] |
CHEMBL4247644 | [O][=C][Branch1][O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][=C][C][Branch2][Ring1][=C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][N] |
CHEMBL4247919 | [C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4247924 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][O] |
CHEMBL4247925 | [C][C][C][C][N][Branch2][Branch1][#Branch1][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][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][=C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4247926 | [C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][=N][C][O][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4247928 | [C][C][Branch1][C][C][C][=N][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring1][O] |
CHEMBL4247929 | [C][C][=C][C][Branch2][Ring2][=C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][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] |
CHEMBL4247932 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL4248202 | [C][N][C][=C][Branch2][Ring2][=Branch1][C][=N][N][Branch2][Ring1][C][C][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][#N][C][Ring1][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2] |
CHEMBL4248204 | [C][C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4248209 | [C][O][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][O][C][C][N][C][C][O][Ring1][Branch2] |
CHEMBL4248220 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][Branch1][C][C][=C][C@@H1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][O][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][C@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring2][=Branch1] |
CHEMBL4248221 | [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][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][P] |
CHEMBL4248224 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][#C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][S][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][S][Ring1][P][=C][C][=Ring2][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4248459 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][C][Ring1][=C][=C][Branch1][C][C][C][Ring2][Ring1][#C][=Ring2][Ring1][#Branch1] |
CHEMBL4248460 | [O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4248463 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N] |
CHEMBL4248472 | [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][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4248474 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4248751 | [Cl][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4248754 | [C][O][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4248757 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4248774 | [O][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][N][S][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=N][Ring1][=N] |
CHEMBL4248983 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4248984 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4248994 | [C][O][C][=Branch1][C][=O][/C][=C][Branch1][#Branch1][\C][=Branch1][C][=O][O][C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] |
CHEMBL4249018 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4249270 | [C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=N][Ring2][Ring1][#Branch2] |
CHEMBL4249271 | [C][C][Branch1][C][C][C@H1][Branch1][C][N][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].[Cl] |
CHEMBL4249272 | [Br][C][=C][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL4249273 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][N][/C][Branch1][C][C][=N][/O][C][C][C][C][#N][C][=C][Ring1][S][O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL4249566 | [C][N][C][=C][Branch2][Ring2][S][C][=C][C][Branch1][P][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][=C][Ring2][Ring1][=N][C][=N][Ring2][Ring2][C] |
CHEMBL4249571 | [C][C][=C][C][Branch2][Ring2][O][S][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][#C][O][C][C][=Branch1][C][=O][O] |
CHEMBL4249577 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=C][C][S][C][=Branch1][C][=S][N][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] |
CHEMBL4249581 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][Branch1][C][C][=C][C@@H1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][O][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][C@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring2][Ring2] |
CHEMBL4249585 | [O][=C][Branch1][P][N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Ring2] |
CHEMBL4249586 | [C][Si][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL4249841 | [Cl][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][N][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] |
CHEMBL4249848 | [C][C][C][C][C][C][C][C][Branch2][Ring1][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][O][Ring1][#C][C][Ring2][Ring1][Ring1] |
CHEMBL4249850 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=N][N][Branch2][Ring1][#C][C][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4249851 | [C][/C][=Branch2][Ring1][Branch1][=N][\N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][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] |
CHEMBL4249852 | [C][C][Branch1][#Branch2][N][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] |
CHEMBL4250117 | [C][=C][C][Branch1][C][C][Branch1][C][C][O][C][C@H1][O][C@H1][Branch2][Branch1][#Branch2][O][C@@H1][C][=C][Branch1][S][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][O][Ring1][Ring1][C][C@H1][Branch1][C][O][C@][Ring1][#C][Branch1][C][C][/C][=C][/C@@H1][Branch1][Ring2][C][O][C][C][C][C@@][Ring1][Branch2][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Branch2][O] |
CHEMBL4250118 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][O][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4250122 | [O][=C][Branch2][Branch1][O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=N][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Ring1][O][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O][N][O] |
CHEMBL4250124 | [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][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4250125 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][/N][=N][/C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4250127 | [O][=C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][O] |
CHEMBL4250128 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4250368 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4250369 | [C][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][N][=N][Ring1][#C] |
CHEMBL4250370 | [C][O][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C@@][C@H1][C][N][C][C][C][C@@][Branch1][=C][C][C][C@][Ring2][Ring1][Ring2][Ring1][O][C][=Branch1][C][=O][O][Branch1][=Branch1][C][C][Ring1][#C][=O][C@H1][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4250377 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][O][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][C][O][Ring1][S][=C][N][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4250669 | [C][=C][S][C][Branch1][P][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][P] |
CHEMBL4250672 | [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] |
CHEMBL4250674 | [C][C][Branch1][C][C][N][N][=C][Branch2][Ring2][#Branch2][C][#C][C][=C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][=C][Ring2][Ring1][Branch1][Ring1][P][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][P] |
CHEMBL4250678 | [C][C][=C][C][=C][Branch2][=Branch1][O][C][=C][C][=C][Branch2][Branch1][#C][C][O][C][=C][C][=C][Branch2][Ring2][P][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][=C][Ring2][Ring2][=C] |
CHEMBL4250683 | [N][#C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4250686 | [O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][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] |
CHEMBL4250687 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring2][Branch1][O][C][/C][=C][\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][/C][=C][/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] |
CHEMBL4250999 | [N][C][C][C][C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4251001 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=C][Branch2][Ring1][=Branch1][/C][=N][/N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4251007 | [C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][N][C][=Branch1][C][=O][C][=C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][N][Ring1][#C][C][Ring2][Ring1][Ring1][=S] |
CHEMBL4251012 | [O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][P][Ring1][O] |
CHEMBL4251014 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][P][=Branch1][C][=O][Branch2][Ring2][Ring1][C][O][C@@H1][C][C@@H1][Branch1][C][O][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][Ring1][P][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4251018 | [O][=C][Branch1][=Branch2][O][C][C][C][C][C][C][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] |
CHEMBL4251295 | [O][=C][Branch2][Ring2][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][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] |
CHEMBL4251297 | [O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4251299 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][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][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][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][C@@H1][Branch1][C][C][C][C] |
CHEMBL4251303 | [C][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4251316 | [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][C] |
CHEMBL4277341 | [C][C][C][C][C][N][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][O][S][Ring1][=C] |
CHEMBL4277342 | [C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][C][N][=N][NH1][C][=Ring1][Branch1][C][#N][=C][C][=N][Ring1][=N][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring1] |
CHEMBL4277343 | [C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4277344 | [C][N][Branch1][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] |
CHEMBL4277345 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4277427 | [C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][C][C@H1][C][=C][O][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][C@][Ring1][=C][Branch1][C][C][O] |
CHEMBL4277428 | [O][=C][Branch1][#Branch2][N][N][C][C][C][C][C][Ring1][=Branch1][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] |
CHEMBL4277429 | [C][C][C][C][Branch1][C][C][O][B][Branch1][P][C@H1][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][O][Ring1][P] |
CHEMBL4277430 | [C][O][C][=Branch1][C][=O][C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][N][C][=Branch1][C][=O][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][N][C][=Branch1][C][=N][N][N+1][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][Branch1][C][C][O] |
CHEMBL4277431 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4277432 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][S] |
CHEMBL4277433 | [C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][=C][N][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][=C][Ring1][S][Ring2][Ring1][Branch1] |
CHEMBL4277434 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][=Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][O][C][C][Ring2][Ring1][N] |
CHEMBL4277435 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][=C][Ring2][Branch1][C].[Cl] |
CHEMBL4277516 | [O][=C][Branch1][C][O][C][C][Branch2][Ring1][S][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][C][=C][N][=C][O][Ring1][Branch1] |
CHEMBL4277517 | [C][=C][C][C][=C][C][Branch2][Ring2][=C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring2][C][C][=C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][=N][=C][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O][C] |
CHEMBL4277518 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4277519 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P] |
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