chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4204258 | [N][C][=N][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4204259 | [C][O][C@H1][C][C@H1][C][=Branch1][N][=C][C@@H1][Ring1][=Branch1][C][=C][C][=C][NH1][Ring1][Branch1][C@H1][C][N][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][O][Ring1][#Branch1] |
CHEMBL4204260 | [C][C][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][=N][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][C][O][C][=C][C][=Branch1][C][=O][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@@... |
CHEMBL4204261 | [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][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O] |
CHEMBL4204348 | [C][C][O][C][=C][C][=C][N][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][#C][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4204349 | [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][O] |
CHEMBL4204350 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204351 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][Branch1][C][=N][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CHEMBL4204445 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\N][C][=Branch1][C][=S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4204446 | [C][C@H1][C][N][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][C][C][Ring1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4204447 | [C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][/C][=C][/C][=C][/C][=C][/C@H1][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][/C][=C][Branch1][C][/C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][C] |
CHEMBL4204448 | [C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL4204450 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][C][C][N][=C][N][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O][C][=C][Ring2][Ring2][C] |
CHEMBL4204451 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4204452 | [C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][O] |
CHEMBL4204453 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][=C][C][=C][C][Ri... |
CHEMBL4204454 | [C][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C@@][Ring1][Branch2][Ring2][Ring1][C][C][/C][Ring2][Ring1... |
CHEMBL4204455 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CHEMBL4204547 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][N][N] |
CHEMBL4204548 | [C][C][Branch1][C][C][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][C][=O] |
CHEMBL4204549 | [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] |
CHEMBL4204550 | [O][=C][Branch2][Ring2][#C][N][N][C][C][C][N][C][C][N][Branch2][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4204551 | [N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][S][Ring2][Ring1][#Branch1] |
CHEMBL4204552 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=C][C][NH1][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=N][C][=Ring1][O][C][=C][Ring1][#C][F][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4204629 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4204630 | [C][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][/C][=Branch2][Ring1][C][=N][/O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4204631 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C][=C][Branch1][=N][C][N][C][C][C][C][N][C][C][C][C][N][C][=C][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=Ring2][Ring1][#Branch1][O][C][C][=C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1][Br].[Cl].[Cl].[Cl] |
CHEMBL4204632 | [O][=C][Branch2][Ring1][Branch2][C][N][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4204633 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=N][C][Branch1][C][N][=N][C][S][C][=N][C][Ring1][#Branch2][=Ring1][Branch1][C][C][Ring1][S][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4204723 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][C][=Ring2][Ring1][C][S][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4204724 | [C][S][C][=C][C][=C][Branch2][Ring2][N][/C][=C][/C][=C][C][=C][N][=C][C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P] |
CHEMBL4204725 | [C][C][C][=C][C][=C][Branch2][Ring1][#C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][N][Ring1][=C][C][=N][C][=C][C][=N][Ring1][=Branch1][O][Ring2][Ring1][=Branch2] |
CHEMBL4204726 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4204727 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][F] |
CHEMBL4204728 | [O][=P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C@@H1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204816 | [C][=C][Branch1][C][C][C@@H1][C][C@@][Branch1][C][C][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][\C][C@@H1][Ring2][Ring1][C][C] |
CHEMBL4204817 | [C][C][O][C][=Branch1][C][=O][C][=Branch2][Ring1][Branch2][=N][N][C][S][C][=C][Branch1][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][O][C][=Branch1][C][=O][O][C][C] |
CHEMBL4204818 | [C][C][=C][C][Branch2][Ring1][S][O][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][C][=C][Ring1][#Branch2][C][C][Ring1][P][=C][C][Branch1][C][N][=N][Ring2][Ring1][=Branch2] |
CHEMBL4204819 | [C][C@H1][C][C][C][/C][=C][/C@@H1][C][C@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][C@H1][Ring2][Ring1][Branch1][C@H1][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O][Ring2][Ring2][C] |
CHEMBL4204820 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][#Branch2][#Branch1][O][C][C][N][C][=C][Branch2][=Branch2][=Branch2][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1... |
CHEMBL4204821 | [C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2] |
CHEMBL4204900 | [Cl].[O][C@H1][C][N][C@H1][Branch2][Ring1][S][C][O][C][C][C][C][C][C][C][C][/C][=C][/C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][=C] |
CHEMBL4204901 | [C][O][C][=C][C][=C][Branch2][Branch1][O][C][N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1][C][=... |
CHEMBL4204902 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C@@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N] |
CHEMBL4204903 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][O][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][#Branch2][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][C]... |
CHEMBL4204904 | [C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][S][=C][Branch1][C][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring1][S][=O] |
CHEMBL4204905 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][P][C@@H1][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][Ring2][Ring... |
CHEMBL4204906 | [C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][Ring1][Branch2][=C][C][=C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][Ring2][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][C@@]... |
CHEMBL4204907 | [C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4205005 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205007 | [C][S][C][=C][C][=C][Branch2][Ring2][S][/C][=C][/C][=C][C][=C][N][=C][C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4205008 | [C][C][Branch2][Ring2][=N][C][C][=C][C][=N][C][Branch2][Ring1][S][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Ring1][P][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4205009 | [O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch1][=C][/C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][S][C][Ring2][Ring1][Ring2][=S] |
CHEMBL4205010 | [C][C@H1][C@H1][C@H1][Branch2][Branch1][=Branch1][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][/C][=Branch2][Ring1][Ring1][=N][\N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Ring2][Ring1][N][Ring2][Ring1][#C][C][... |
CHEMBL4205011 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C][C@@H1][Branch1][S][C@@][Branch1][C][C][Branch1][C][O][C][C][C][=C][Branch1][C][C][C][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=N][Branch1][C][C][C] |
CHEMBL4205012 | [C][C][=C][S][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][=C][Ring2][Ring1][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4205102 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring2][C][N][C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][=Branch2] |
CHEMBL4205103 | [O][=C][Branch1][C][O][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4205104 | [O][=C][Branch1][S][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][#C] |
CHEMBL4205105 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][S][=N][N][Ring2][Ring1][=Branch1][C] |
CHEMBL4205106 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][C@H1][Branch1][C][C][N][C][=C][N][=C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205198 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C][C][=C][Ring2][Ring1][O] |
CHEMBL4205199 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4205200 | [O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C@@H1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] |
CHEMBL4205201 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=N][/N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=C][Ring2][Ring1][O] |
CHEMBL4205290 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][P] |
CHEMBL4205291 | [C][C][C][S][C][=N][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][=N][Ring2][Ring1][=N] |
CHEMBL4205292 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][Branc... |
CHEMBL4205293 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Cl] |
CHEMBL4205294 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch2][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch... |
CHEMBL4205393 | [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][S][C][=Ring1][P][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][N] |
CHEMBL4205394 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][=C] |
CHEMBL4205395 | [C][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C][=C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@][Ring2][Ring1][Ring2][Ring1][P][C] |
CHEMBL4205396 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][N][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4205397 | [C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][/C][=C][/S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4205398 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]... |
CHEMBL4205488 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4205490 | [C][C][C][C][C][C][C][C][N][C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][#C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4205491 | [C][C][C][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][Ring1][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4205492 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][/N][=C][\C][=Branch1][C][=O][N][N][=C][Ring1][=Branch1][C][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1] |
CHEMBL4205587 | [C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][Ring2][Ring1][=Branch2] |
CHEMBL4205588 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][O][C][=Ring1][Branch1][=C][Ring1][O] |
CHEMBL4205589 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=C][Ring2][Ring1][#Branch1] |
CHEMBL4205590 | [C][O][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][C][=S][=C][C][=C][Ring2][Ring1][=Branch2][N][Branch1][C][C][C] |
CHEMBL4205591 | [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=N][C@H1][Branch1][C][F]... |
CHEMBL4205676 | [C][C][C][/C][=C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C@@][Branch1][C][O][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C@H1][O][C@H1][Ring1][Ring1][C@@H1][Ring1][=N][O] |
CHEMBL4205677 | [C][O][C][=C][C][=C][C][Branch2][Ring2][O][C][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4205678 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][O] |
CHEMBL4205679 | [C][O][C][=C][C][=C][C][NH1][C][Branch2][Ring2][Ring1][C@H1][Branch1][O][C][C][C][N][C][=Branch1][C][=N][C][Cl][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=N][C][Ring2][Ring1][#C][=Ring2][Ring1][O] |
CHEMBL4205680 | [C][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=S][N][Ring2][Ring1][C] |
CHEMBL4205760 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][=Branch1][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@H1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C@H1][Ring1][=C][C][Ring2][Ring1][C][=O][O][Ring2][Ring1][O] |
CHEMBL4205761 | [C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] |
CHEMBL4205762 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4205763 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][NH1][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4205864 | [C][C][=N][C][Branch1][Ring1][C][=O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][C][=Ring1][N] |
CHEMBL4205865 | [C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][N][Ring2][Ring1][#Branch2][C][Branch1][C][C][=O] |
CHEMBL4205867 | [C][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C@@H1][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][C@@][Ring2][Ring1][S][Ring2][Ring2][Rin... |
CHEMBL4205868 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C@H1][Ring1][S][Ring2][Ring1][Branch1] |
CHEMBL4205869 | [C][O][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring1][P] |
CHEMBL4205870 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.