chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4293442 | [C][O][C][C][O][C][C][O][C][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] |
CHEMBL4293443 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][#C][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][=N] |
CHEMBL4293444 | [C][/C][=Branch1][#C][=N][\N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N] |
CHEMBL4293445 | [C][C][=C][C][=C][Branch2][Branch1][O][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][N][Ring1][#C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=O][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4293537 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4293538 | [C][O][C][=C][C][Branch2][Ring1][=N][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][C][C][N][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4293539 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][N][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][N][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring2][Ring1][Ring2][Ring1][#C] |
CHEMBL4293540 | [O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL4293541 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][S][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][N][C][=C][C][=C][C][Branch2][Ring2][S][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1][N][=N][Ring2][Ring2][#Branch2][=C][C][=C][Ring2][=Branch1][Ring1][Ring2][Branch1][=Branch2] |
CHEMBL4293542 | [C][C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][#C][N][C][Branch1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4293617 | [O][=C][C][=C][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][C][Br][C][=C][Ring1][S][O][Ring2][Ring1][Ring2] |
CHEMBL4293618 | [C][=C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][O] |
CHEMBL4293619 | [N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4293620 | [O][=C][NH1][C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][O][C][C][C][C][=C][N][Branch2][Ring2][C][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring2][S][Ring1][=Branch1] |
CHEMBL4293621 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4293622 | [C][C][Branch1][C][C][O][C][C][Branch2][Ring2][Branch1][C@][Branch1][C][C][C][=C][C][C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C][C@@][Ring1][=Branch2][Branch1][C][C][C@@H1][Ring1][=C][C][C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch2] |
CHEMBL4293707 | [O][=C][Branch1][#C][/C][=C][\N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4293708 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][N][=C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][Ring1][#C][=Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4293709 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O].[C][C@@H1][C@H1][C][=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][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@H1][Ring2][Ring1][#C][C] |
CHEMBL4293710 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4293711 | [N][#C][C][=C][C][=C][Branch2][Branch1][=Branch1][/C][=C][/C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4293712 | [I][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4293803 | [C][C][C][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4293804 | [C][O][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4293805 | [C][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4293806 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4293807 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][#Branch2][Branch1][C][C][O] |
CHEMBL4293808 | [C][S+1][Branch1][C][O-1][C][C][C][C][N][C][=Branch1][C][=S][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4293886 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293887 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][O][O][C][C][C][N][C][Branch1][C][C][=O][C@][Ring2][Branch1][#Branch1][Branch1][C][C][O] |
CHEMBL4293888 | [C][S][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293889 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][C][C][Ring1][O] |
CHEMBL4288930 | [C][C][=N][C][Branch2][Ring1][=C][N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][#C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL4288931 | [C][C][C][C][C][C][C][C][C][C@H1][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][C][O] |
CHEMBL4288932 | [C][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4288933 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] |
CHEMBL4288934 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4289011 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring2][=Branch1][C][N][C][=C][C][=C][Ring1][Branch1][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4289012 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4289013 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][O][C][O][Ring1][#C] |
CHEMBL4289014 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch1][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch2][Ring2][S][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][O][C][Ring1][#C][=O][C@@H1][Ring2][Ring2][#Branch2][C][C][C@][Ring2][Ring2][=C][Ring2][Branch1][Ring1][C][C@@H1][Ring2][Branch1][=C][Ring2][Branch1][O] |
CHEMBL4289015 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][O] |
CHEMBL4289016 | [C][O][C][=C][C][Branch2][Ring1][=C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][O][C][C][O][Ring1][Branch2][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4289017 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][=C][C][Branch2][Ring1][=N][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4289018 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][N][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring2][C][Ring1][=Branch1] |
CHEMBL4289098 | [C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4289099 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4289100 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][Ring1][S][C][C][Branch1][C][C][C] |
CHEMBL4289101 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4289102 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4289174 | [O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][O][=O] |
CHEMBL4289175 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][N][C][=Branch1][C][=S][S][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4289176 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
CHEMBL4289177 | [O][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring1][S][C][Branch1][C][Cl][Cl] |
CHEMBL4289262 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch2] |
CHEMBL4289263 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][S][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][=Branch2][C][O] |
CHEMBL4289264 | [C][C][=N][C][Branch1][C][C][=C][Branch2][=Branch1][=N][C][O][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][Branch1][=N][O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][P][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C@][Ring2][Ring1][#Branch2][Branch1][C][C][C][C][Ring2][Ring2][Branch1][N][=C][Ring2][Ring2][S][C] |
CHEMBL4289265 | [C][C][C][S][C][=Branch1][C][=S][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][=N][O] |
CHEMBL4289266 | [O][=C][C][=C][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4228841 | [C][C@@H1][C][O][C][Branch1][C][N][=N][C@][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=C][C][=C][Ring1][P][F] |
CHEMBL4228842 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4228843 | [C][C][Branch2][Ring1][Ring1][/C][=N][/N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][\N][C][=Branch1][C][=O][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] |
CHEMBL4228844 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch1][C][Ring1][#C][=O][=C][Ring1][Branch2][Ring1][#C] |
CHEMBL4228926 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][#Branch2] |
CHEMBL4228928 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4228929 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CHEMBL4228930 | [C][N][C][C][Branch1][#Branch1][C][C][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4228931 | [C][C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][N][C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4229017 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][Ring2][N][C@H1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][Branch1][C][N][=O] |
CHEMBL4229018 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#C] |
CHEMBL4229019 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][Branch1][N][C@H1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][N] |
CHEMBL4229020 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CHEMBL4229107 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][N][=C][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4229108 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][/N][=C][Branch1][C][\C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4229109 | [C][=Branch2][Ring1][=N][=C][/C][=N][N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][N][=C][Ring1][=C][S][Ring1][P][\C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4229110 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][O][C][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] |
CHEMBL4229111 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][S][C][N][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][O][C][C@@H1][Ring2][Ring2][=C][Ring2][Ring2][O] |
CHEMBL4229112 | [C][O][C][=C][C][=C][Branch2][Ring1][S][O][C@@H1][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][O][C][Branch1][C][C][=O][C][=C][Branch2][Ring1][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][O][C][C][O][C][Ring2][Ring1][Ring2] |
CHEMBL4229113 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][#Branch1] |
CHEMBL4229114 | [C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][N][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1] |
CHEMBL4229115 | [C][O][C][=C][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][Branch1][C][C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Ring1][=C][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=C][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2] |
CHEMBL4229195 | [C][C][O][C][=C][C][=Branch1][P][=C][Branch1][Ring2][O][C][C][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][O][C][Ring2][Ring1][O] |
CHEMBL4229196 | [C][C][Branch1][C][C][C][C][N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4229197 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring2][Ring1][C][C][C][N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
CHEMBL4229198 | [O][C][=N][NH1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL4289287 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
CHEMBL4289288 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][#C][C][C][C@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4289289 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][C][=C][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289290 | [C][C@@H1][C@H1][C][=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][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch2][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C@H1][Ring2][Ring2][=Branch2][C] |
CHEMBL4289291 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][=Branch2][O][Ring2][Ring1][=Branch2] |
CHEMBL4289292 | [O][C][=C][C][=C][Branch2][Branch1][Branch2][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4289375 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4289376 | [C][/C][=Branch2][Ring1][S][=C][\C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][S][S][C][=C][Ring1][Branch1][NH1][C][Ring1][Branch2][=O][C@@H1][Branch1][C][O][C@@H1][O][C][C@H1][Branch1][=N][C][/C][=C][/C@@H1][Branch1][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][#C][O] |
CHEMBL4289377 | [C][C][=C][C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C@H1][Branch1][Ring1][C][#N][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring2][#Branch1] |
CHEMBL4289378 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][C][C][=Branch1][C][=O][O] |
CHEMBL4289379 | [C][O][C][=C][C][=C][Branch2][Ring2][C][/C][=C][Branch1][Ring1][\C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4289380 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][/C][=C][Branch1][C][/C][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=C][C][C][C@][Ring2][Ring1][C][Ring2][Ring1][N][C] |
CHEMBL4289452 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][P] |
CHEMBL4289453 | [C][C][=C][C][N][=C][Branch2][Ring2][P][N][C][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][Ring1][O][C][C][Ring1][P][C][C][Ring2][Ring1][O][O][C][=Ring2][Ring1][S][C][=C][Ring2][Ring2][Ring2][C] |
CHEMBL4289454 | [C][O][C][=C][C][=C][Branch1][S][C][=N][C][Branch1][C][N][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][=C][Ring1][#C] |
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