chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL525076 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][P... |
CHEMBL524356 | [C][C@H1][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][... |
CHEMBL524357 | [C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][P][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][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][... |
CHEMBL523218 | [C][O][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL525237 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][=Branch2][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Branch2][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Rin... |
CHEMBL575375 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][#Branch1] |
CHEMBL578763 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL579880 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL581066 | [C][O][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][P][C][N][C][C][C][C][C][C][N][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][Branch2][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2].[C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL582140 | [Br].[C][C][Branch1][C][C][N][C][Branch1][C][N][=N][C][=Branch1][C][=N][N][Ring1][=Branch2][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL582239 | [N][C][=C][C][=Branch2][Ring2][#Branch1][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL564257 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][=N][C@H1][Branch3][Ring1][Branch2][N][O][C][=Branch1][C][=O][N][C][C][=C][N][Branch3][Ring1][#Branch1][=Branch2][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][... |
CHEMBL564260 | [C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C@@][C][C@@H1][Ring1][Ring1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=C][C][Ring2][Ring1][C][=O] |
CHEMBL562776 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL1090668 | [C][C@@][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][N][C@H1][Branch1][#Branch1][C][Branch1][C][O][C][O][C@@H1][C][=Branch1][C][=O][N][... |
CHEMBL574570 | [O][=C][Branch1][C][O][C][=C][C][C][=C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][=Ring1][=C][C][=N][Ring2][Ring1][C] |
CHEMBL1077081 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C][C@][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][C][C][Branch2][Ring2][Branch1][C@H1][C][C@H1][Branch1][Ring1][O][C][O][C@H1][C][C@@H1][Branch1][=Branch2][C][=C][C... |
CHEMBL540147 | [C][C][C][C][C][C][C][C][C][C@H1][C][C@H1][C][C][C@H1][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N+1][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][N]... |
CHEMBL540148 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N+1][Branch1][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring... |
CHEMBL540153 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL552955 | [Cl].[O][=C][C][N][C][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][=N][N][Ring1][S] |
CHEMBL553616 | [C][C][/N][=C][Branch1][=N][/C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C].[Cl] |
CHEMBL553904 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][S][C][C][C@@][R... |
CHEMBL525242 | [C][C@H1][C@H1][C@H1][Branch2][=Branch2][C][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][=Branch1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C... |
CHEMBL525402 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][Branch2][P][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][=N][O][C][O][C][C@@H1][Branch2][Branch1][#Branch2][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@... |
CHEMBL530345 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branc... |
CHEMBL540662 | [C][=C][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=N][C][C][/C][Branch1][C][C][=C][/C][N][C][=N+1][Branch1][C][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Ring1][O].[Cl-1] |
CHEMBL582360 | [C][O][C][C][N][C][C][=C][C][=C][C][Branch2][Ring2][P][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2].[O][=C]... |
CHEMBL589985 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Branch2][N][C][C][C][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1] |
CHEMBL602107 | [C][C][Branch1][C][C][C@@][C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O][C@][Ring1][#C][Branch1][=Branch1][C][C][Ring2][Ring1][Ring1][O][O][Ring2][Ring1][Branch1] |
CHEMBL602115 | [C][C][=N][C][Branch2][Ring2][#Branch2][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=C][N][=C][Branch1][#C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][O][C][Branch1][C][F][=C][Ring1][#C][=N][O][Ring2][Ring1][N] |
CHEMBL603312 | [N][=C][Branch1][C][N][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][NH1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL1089589 | [C][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][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Bran... |
CHEMBL1089598 | [C][#C][C][O][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2] |
CHEMBL1091501 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] |
CHEMBL1089470 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CHEMBL1090597 | [Br][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=N][/N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1083863 | [C][C][=C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch1][C][C][C][C][C][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring... |
CHEMBL1082631 | [C][O][C][=C][C@H1][C][=C][Branch2][Ring2][Ring1][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][Ring2][Ring1][Branch1][C@@H1][Branch1][P][O][N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#... |
CHEMBL1082636 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][S][C][C][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N] |
CHEMBL1093004 | [C][C][=C][N][Branch3][Ring2][Ring2][#Branch1][C@@H1][O][C@][Branch3][Ring1][S][C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][=N][=N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][#Branch2][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][R... |
CHEMBL1089238 | [N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Bra... |
CHEMBL570151 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=N][C][Branch1][=Bra... |
CHEMBL570152 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C]... |
CHEMBL570155 | [C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ri... |
CHEMBL568776 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL576689 | [C][N][C][=C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch2][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][=N][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=C][N][C][=Br... |
CHEMBL576691 | [C][N][C][=C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch2][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][=N][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=C][N][C][=Br... |
CHEMBL576694 | [C][N][C][=C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch2][N][N][C][=Branch1][C][=O][C][=N][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring2][=C][N][C][=Br... |
CHEMBL1084193 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C... |
CHEMBL608687 | [C][#C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL608826 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][O][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] |
CHEMBL608971 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][#C][C][N][C][=C][Branch2][Ring2][=N][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Ring1][P][O][C][=C][C][=C][C][=C][Ring1]... |
CHEMBL609992 | [C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][=C][NH1][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL608847 | [C][N][C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#C][C][Ring2][Ring1][Ring1] |
CHEMBL159633 | [C][#C][C][N][Branch2][Ring1][S][C][C][=C][C][=C][N][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][=C][Branch1][C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branc... |
CHEMBL160210 | [C][O][/N][=C][Branch2][Ring1][#C][\C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Branch2][Ring1][Branch2][C][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C... |
CHEMBL605624 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branc... |
CHEMBL276295 | [C][C][C][=C][C][=C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1][Ring1][=C... |
CHEMBL1076958 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][B... |
CHEMBL1092363 | [N][C][C][=C][N][Branch2][=Branch2][=Branch2][C@H1][C][C@H1][Branch2][Ring2][=N][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][C@@H1][Ring1][#C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch2][Branch1][... |
CHEMBL154789 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL525153 | [C][C][N][C][Branch2][Ring2][#C][C][C][C][N][Branch2][Ring2][Ring1][C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ri... |
CHEMBL1076988 | [C][C][Branch1][C][C][C][C@H1][Branch3][Ring1][=N][=C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C... |
CHEMBL1089276 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][=Branch1][O][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring1][Ring2][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][=N][... |
CHEMBL1089969 | [C][C][=C][C][=C][Branch2][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][C][=Ring1][P][C][=C][Ring2][Ring1][#Branc... |
CHEMBL4116000 | [C][C][C@H1][Branch1][C][C][N][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@@H1][C][C][C][N][Ring1][Branch1][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][N] |
CHEMBL1090248 | [C][C][C][C][O][C][=C][Branch1][Branch1][C][C][C][C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] |
CHEMBL609016 | [N][C][Branch2][Ring1][P][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL610191 | [C][C][S][C@@H1][C@H1][Branch1][Ring2][S][C][C][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O] |
CHEMBL572762 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][P][/N][=C][/C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=C][Ring1][S] |
CHEMBL573208 | [O][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL574253 | [C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] |
CHEMBL576519 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring... |
CHEMBL584384 | [N][C][C][N][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C][=C][C][=N][Ring2][Ring1][Ring2] |
CHEMBL584972 | [C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL584397 | [C][C][N][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Ring2][Ring1][O][N][C][=Branch1][C][=O][C@@H1][Branch1... |
CHEMBL584399 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][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][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Br... |
CHEMBL584401 | [C][C][Branch1][C][C][C][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][Branch1][#Branch1][C][C][Branch1][C][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][C][Br... |
CHEMBL584402 | [C][C][Branch1][C][C][C][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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@... |
CHEMBL1076792 | [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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][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][Rin... |
CHEMBL1076814 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1076925 | [C][O][C][=Branch1][C][=O][C][C@H1][C@][Branch1][C][C][C][C@@][Branch1][C][O][C@][Ring1][#Branch1][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][=Branch2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C@@][Ring1][=C][Branch1][Ring1][O][C][C@H1][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O][C][C][=Branch1... |
CHEMBL1077125 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring2][C][C][#N][=C][C][=C][Ring1][=Branch2][N][Ring1][#C][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][N] |
CHEMBL161838 | [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][C][Branch1][C][C][C][N][C@H1][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][N][C][Ring1][S][=... |
CHEMBL1090630 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch1][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][Bran... |
CHEMBL1090632 | [C][C][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][S][S][C][Branch1][C][C][Branch1][C][C][C@H1... |
CHEMBL1083581 | [C][C][C][C][C][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] |
CHEMBL1076408 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][S] |
CHEMBL158232 | [C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL1076255 | [Br][C][=C][C][=C][N][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring1][P] |
CHEMBL1076577 | [O][C][Branch2][Branch1][C][C][C][C][C][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][Ring1][O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][S][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Bran... |
CHEMBL610879 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@][Branch1][C][O][C@@H1][Branch1][Branch1][C][Ring2][Ring1][Ring1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][Ring1][N] |
CHEMBL1076770 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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... |
CHEMBL1098645 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Br... |
CHEMBL1076286 | [C][C][=C][C][Branch2][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][Ring1][P][=C][Branch1][C][O][C@@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][R... |
CHEMBL1076290 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch2][Ring2][=Branch2][C][=C][Branch1][C][O][C@@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Ring1][Branch2][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F... |
CHEMBL1076601 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C]... |
CHEMBL584554 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][=C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL584981 | [C][C][=C][C][=C][Branch2][Branch1][=Branch2][C@@H1][C@H1][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C@@][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][O][N][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1]... |
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