chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL502986 | [C][C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring1][S][O... |
CHEMBL501499 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][S][Ring1][=N][O][Ring2][Ring1][C] |
CHEMBL501597 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C] |
CHEMBL501606 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@H1][C][C][C@H1][C@@H1][C][C][=C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C@][Ring1][N][Branch1][C][C][C@H1][Ring1][P][C][C][C@@][Ring2][Ring1][Branch1][Ring2][Rin... |
CHEMBL505136 | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Branc... |
CHEMBL505139 | [C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][C@H1][Ring1][=Branch1][C@H1][C][O][C@H... |
CHEMBL505140 | [C][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch1][O][C][=Ring1][Branch1][C][C][... |
CHEMBL505143 | [N][C][C][C][N][C][C][C][C][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][=N][C][C][=C][N][=C][Branch2][N][=Branch1][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1]... |
CHEMBL501276 | [C][O][C][=C][C][Branch2][Branch1][=Branch1][/C][=C][\S][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][Ring2][Ring1][=N][=O][=C][C... |
CHEMBL501291 | [C][/C][=C][\C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][N][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Br... |
CHEMBL501647 | [C][C][=Branch1][C][=O][O][C@H1][C][C@H1][C@H1][Branch2][Ring2][Ring1][C@@H1][C][C][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][C][C][Bran... |
CHEMBL501650 | [C][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][P] |
CHEMBL502237 | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Branch1][Branch1][C@][Branch1][C][C][O][C][=Branch1][C][=O][C@][C][C][C@H1][C@@H1][Branch2][Ring1][#Branch1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][C@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][C][C@@H... |
CHEMBL502239 | [C][C][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][... |
CHEMBL502601 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][... |
CHEMBL502603 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C... |
CHEMBL502624 | [C][C][C][C][O][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][Branch1][#Branch1][O][C][... |
CHEMBL502626 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][B... |
CHEMBL503449 | [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][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#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][Branch1][#C][C][C... |
CHEMBL503451 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch1][O][C][=Ring1][Branch1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@H1][Branch1][#Branch2][C][C][=C][N][=C][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][Ring2]... |
CHEMBL476536 | [C][C][O][C][C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][=Branch1][C] |
CHEMBL153717 | [O][=C][Branch1][=C][N][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O] |
CHEMBL503695 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=... |
CHEMBL503698 | [C][C][C][=Branch1][C][=O][O][C@@H1][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][S][N][Branch1][C][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][/C][=C][/C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][=O][C@H1][Branch2]... |
CHEMBL503814 | [N][C][=Branch1][C][=S][N][/N][=C][/C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL503991 | [C][=C][Branch2][=Branch1][#Branch1][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C][=C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][O][Ring1][=C][C][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][... |
CHEMBL503994 | [C][C@@H1][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C@][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Branch1][Branch2][C][C@@H1][Branch2][Ring1][Branch2][O]... |
CHEMBL503996 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][O][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@][Branch1][C][O][C][C@H1][Branch1][C][O][C@H1][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C@][Ring1][O][Branch1][C][C][C@H1][Ring2][Ring1][C][C][C][C@@][Ring2][Ring... |
CHEMBL504000 | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][Branch1][C][C][... |
CHEMBL504159 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][O][C][O][C][C][O][C][C][O][C][C][O][C][C][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][Branch2][Ring2][Ring2][C][O][C][O][C][C][O][C][C][O]... |
CHEMBL504162 | [C][C@@H1][O][C@@H1][Branch2][#Branch1][=Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][C][C][C@H1][Branch1][C][O][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C][C@@H1][C@@H1][Branch2][Rin... |
CHEMBL504164 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][/C][=Branch2][Ring1][=Branch1][=N][/N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][C][C][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][C][C][C@@][Ring2][Ring1][=C]... |
CHEMBL504168 | [C][C][C@][C][=C][C][N][C][C][C@@][Branch2][Branch2][=C][C][=C][C][Branch2][Branch1][S][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@H1][C][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][C][N][Branch2][Ring1][S][C][C][C][=C][Ring2][Ring1][Ring1][NH1][C][=C][C][=C][Branch1][N][N][C][=Branch1][C]... |
CHEMBL504349 | [C][C][C][C@H1][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Br... |
CHEMBL526183 | [C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][Branch2][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Ring1][#C][O] |
CHEMBL526190 | [C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][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][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N]... |
CHEMBL526301 | [C][C][Branch1][C][C][C][C@H1][Branch2][=N][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][S][N][C][=Branc... |
CHEMBL536166 | [Br].[C][C][C][C][C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][=N] |
CHEMBL537860 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][/N][=C][Branch1][C][\N][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2].[Cl] |
CHEMBL538195 | [C][N][N][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][O][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][C][Ring1][P] |
CHEMBL538451 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][... |
CHEMBL538453 | [C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][#Branc... |
CHEMBL501610 | [C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@@][Branch1][C][C][Branch2][#Branch1][Branch1][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][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@@H1][Branch2][Ring2][Ring2][O]... |
CHEMBL501613 | [C][#C][C][Branch1][C][C][Branch1][C][O][C][C] |
CHEMBL501618 | [C][/C][=C][/C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][=C][C][=N][Ring2][Ring1][C] |
CHEMBL501788 | [C][C][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][C][C@][Branch2][O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch2][O][O][C@@H1][O][C@H1][Branch2][#Branch1][#Branch1][C][O][C@@H1][O][C][C@H1][Branch1... |
CHEMBL154771 | [C][C][C][=N][C][Branch2][=Branch1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C... |
CHEMBL155331 | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1... |
CHEMBL506172 | [N][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CHEMBL506304 | [C][C][Branch1][C][C][=C][C][C][=C][C][=Branch2][Branch1][=C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch1][C][C][C@H1][C@][Branch1][C][C][C][C@@H1][Branch1][O][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O-1][O][C@@][Ring1][N][Branch1][C... |
CHEMBL506306 | [C][/C][=C][\N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][=Branch2][N][C][=Branch1]... |
CHEMBL506308 | [C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][N][/C][=Branch2][Ring1][N][=N][\C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][C@H1][C][C][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][#C][=O][=C][Ring2]... |
CHEMBL506403 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch1][=N][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C]... |
CHEMBL506407 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C@@H1][Ri... |
CHEMBL506415 | [C][O][C@H1][/C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][=C][Branch2][Ring2][Ring2][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Ring2][Ri... |
CHEMBL506637 | [O][=C][C][Branch2][Ring2][Ring2][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][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1... |
CHEMBL506640 | [C][=C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring2][Ring1][C][C@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][P][C@H1][O][C][Branch1][C... |
CHEMBL156363 | [C][C][C][=N][C][Branch2][=Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C... |
CHEMBL500308 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][/C][=C][Branch1][C][\O][C][=Branch1][C][=O][O][=C][Ring1][=C] |
CHEMBL500519 | [C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C@H1][C][C][C@H1][Branch2][Ring1][Branch1][C][C][C][C][C][C][C][C][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][Branch1] |
CHEMBL500524 | [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][=C][#Branch2][O][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Branch2][=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@H... |
CHEMBL500527 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][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][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
CHEMBL500534 | [C][C][=C][N][Branch2][Branch1][S][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C][S][C][C][C][C][C][C][S][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][... |
CHEMBL500540 | [C][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][P][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][#Branch2][Ring1][=N][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch... |
CHEMBL500548 | [C][N][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL500805 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Br... |
CHEMBL500809 | [C][C][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@@][Branch1][C][C][C@H1][Ring1][=Branch2][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch2][Branch1][S][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C][Branch1][C][C][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@][Ring1]... |
CHEMBL500816 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@H1][C][C][C@H1][C@@H1][C][C][C@H1][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][C@][Ring1][O][Branch1][C][C][C@H1][Ring1][S][C][C][C@@][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1][C].[N... |
CHEMBL499529 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][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][C][C@][Branch1][C][C][C@H1][Branch2][=Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][Ring... |
CHEMBL499532 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O]... |
CHEMBL499537 | [C][C][C@][C][=C][C][N][C][C][C@@][Branch2][Branch2][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][C@H1][Ring1][N][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1... |
CHEMBL499543 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@H1][C@H1][Branch2][Ring2][Ring1][C][=C][Branch1][C][O][C][=C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Bran... |
CHEMBL4116099 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Branch1][Ring1][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL504351 | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][=Branch1][C][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][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C] |
CHEMBL501823 | [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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N... |
CHEMBL501828 | [C][=C][C][C][N][Branch1][C][C][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Branch2][Branch1][Ring2][C][=C][Branch1][Ring1][O][C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][O][=Ring1][Branch1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][C][C@H1][B... |
CHEMBL502200 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C@@H1][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N]... |
CHEMBL502201 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][... |
CHEMBL502203 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C@@][Branch2][Branch1][=Branch2][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][N][=N][NH1][Ring1... |
CHEMBL502208 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=B... |
CHEMBL502210 | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][O][C@@][Branch2][Ring1][N][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@][Branch1][C][O][Branch1][=Branch1][C]... |
CHEMBL502212 | [C][C][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=Branch1][C][=O][O][Ring1][=N] |
CHEMBL502490 | [C][=C][Branch1][C][C][C@][C][C@@H1][Branch1][C][C][C@@][O][C@][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch2][Ring2][#Branch2][O][C@@H1][Ring2][Ring1][Branch2][C@@H1][Ring2][Ring1][Branch1][C@@H1][O][C@][Ring1][Ring1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O]... |
CHEMBL502494 | [C][C][N][N][=C][C][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
CHEMBL500111 | [O][=C][Branch2][Branch1][Ring2][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL538457 | [C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C]... |
CHEMBL538460 | [N][#C][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL541760 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@][Branch1][Ring2][N][=N+1][=N-1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O... |
CHEMBL541764 | [C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][NH1][C][Branch1][C][N][=N][Ring1][=Branch1].[Cl] |
CHEMBL541771 | [C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][N+1][Branch1][C][C][=C][Ring1][#Branch1].[I-1] |
CHEMBL539442 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][N][C][Branch1][C][C][=O] |
CHEMBL541185 | [C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch1][C][C][C][Ring1][#C][=O] |
CHEMBL504080 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch2][Branch1][C][=C][N][=C][Branch2][#Branch1][=Branch2][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O... |
CHEMBL504086 | [C][=C][Branch1][C][C][/C][Branch1][C][C][=C][\C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@][Ring1][#Branch2][Ring1][#Branch1][C][C@@][Branch1][C][C][C][C][C@@... |
CHEMBL504410 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][Branch1][C][=C][O][C][Branch1][N][C][Branch1][Ring1][C][Br][Branch1][Ring1][O][C][O][C][=N][Ring1][N][O][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch2][C][=... |
CHEMBL504415 | [C][N][C][C@@H1][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@@][Branch2][Ring1][=Branch1][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=O][C@][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][R... |
CHEMBL504417 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C]... |
CHEMBL504419 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][N][/C][=Branch1][Ring2][=N][/C][#N][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL507534 | [C][C@H1][C@H1][C@H1][Branch2][#Branch2][=Branch2][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][Branch2][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][#Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O]... |
CHEMBL507538 | [C][C@H1][Branch1][#C][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C@@H1][O][C@][Ring1][Ring1][C@@H1][Branch2][Ring2][Ring1][C][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]... |
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