chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12654 | [C][C@H1][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL12689 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][S][C][S][C][Ring1][=Branch1] |
CHEMBL12691 | [C][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][N] |
CHEMBL12692 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][Branch1][C][C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][C] |
CHEMBL12406 | [C][/C][=C][Branch1][N][\N][C][=Branch1][C][=O][C][C][C][C][C][#N][C][=Branch1][C][=O][O] |
CHEMBL12407 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P] |
CHEMBL12408 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][=C][=O] |
CHEMBL12611 | [C][/N][=C][Branch1][C][\S][N][C][C][S][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL13159 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL12704 | [C][N][Branch1][C][C][C][C][C][=C][N][=C][NH1][Ring1][Branch1] |
CHEMBL12705 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12706 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2] |
CHEMBL12707 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring1][=C][=O] |
CHEMBL12708 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12633 | [C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL12635 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2] |
CHEMBL12636 | [C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] |
CHEMBL12637 | [C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12726 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL12907 | [C][C][Branch1][C][C][N][Branch2][Ring1][N][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL12994 | [C][C@@H1][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL12995 | [O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N] |
CHEMBL12996 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL1163465 | [Br].[C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][C][O][=N][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][S] |
CHEMBL12926 | [C][C][C][=C][C][=Branch1][N][=N][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][P][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C] |
CHEMBL12927 | [C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][O] |
CHEMBL12931 | [O][=C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
CHEMBL12932 | [O-1][N+1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL1163460 | [C][C][Branch1][C][C][C@H1][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C]... |
CHEMBL12946 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][#Branch2][C][N][C][C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C][=N][C][Ring2][Ring1][=C][=N][Ring2][Ring2][R... |
CHEMBL12947 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][#Branch1][=Branch2][/C][=C][\C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][/C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=... |
CHEMBL12948 | [C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12949 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL12950 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][=C][=O] |
CHEMBL518 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N] |
CHEMBL12880 | [C][C][Branch1][C][C][N][Branch2][Ring1][P][C][C][C][Branch1][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C] |
CHEMBL12969 | [C][C][C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2] |
CHEMBL12970 | [C][C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P] |
CHEMBL12971 | [C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][C][Ring1][#C][C][C@@H1][Ring2][Ring1][=C][Ri... |
CHEMBL12997 | [C][/N][=C][/C][=C][Branch1][C][O][O][C@H1][Branch1][Ring2][C][O][C][C@@][Branch1][C][C][C][Ring1][O][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#C][Ring1][#Branch1] |
CHEMBL13079 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL13080 | [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL13081 | [C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N] |
CHEMBL13014 | [C][C][Branch1][C][C][N][Branch2][Ring2][=C][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][C] |
CHEMBL13015 | [O][=C][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][P][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13016 | [C][C][Branch1][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=O][C][C][Ring1][S] |
CHEMBL13017 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][... |
CHEMBL13039 | [O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring1][Branch1] |
CHEMBL13041 | [O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][#Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][Ring2][Ring1][Ring2] |
CHEMBL13042 | [C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2] |
CHEMBL13043 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL13044 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][C][O] |
CHEMBL13045 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N+1][Branch1][C][C][C][=C][C][=C][C][=Branch1][N][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL12772 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C] |
CHEMBL12773 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@H1][Branch2][Ring2][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][N].[Cl-1] |
CHEMBL12972 | [O][=C][Branch1][C][O][C][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=Ring1][=N][Br] |
CHEMBL4543298 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1] |
CHEMBL4543299 | [C][C][=Branch1][C][=N][N][C][C][C@H1][Branch2][Ring1][=C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C][Ring1][=C][C][Ring2][Ring1][Ring2] |
CHEMBL12973 | [O][C][C][=C][N][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N] |
CHEMBL13057 | [O][=C][Branch1][C][O][C][C][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
CHEMBL13058 | [C][C][=Branch1][C][=O][N][C][Branch1][O][/C][=C][/S][Branch1][C][C][=Branch1][C][=O][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL13059 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL13082 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL13083 | [C][C][C][C][C][=C][Branch1][C][O][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][O][=O] |
CHEMBL12818 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=O] |
CHEMBL540 | [C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12819 | [C][C][Branch1][C][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=O][C][C][Ring1][#C] |
CHEMBL12820 | [O][C][=N][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][N][=C][Ring2][Ring1][Ring1][O] |
CHEMBL13103 | [C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S] |
CHEMBL13105 | [C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C@][Branch1][C][C][Branch1][C][O][C][Ring1][#C][C][C@@H1][Ring2][Ring1][=C][Ri... |
CHEMBL13107 | [C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL13110 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL12840 | [C][C][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL12774 | [C][C][Branch1][C][C][N][Branch2][Ring2][C][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL12775 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL12776 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][#C] |
CHEMBL12777 | [C][C][C][C][N][Branch2][Ring1][S][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL13060 | [C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring2][Ring1][Branch1][=O] |
CHEMBL12796 | [C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][P][C][C][/C][=N][/C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][N][=O][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL12797 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][C] |
CHEMBL12798 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@H1][Ring1][=C][Ring2][Ring1][Ring1] |
CHEMBL12799 | [C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][O] |
CHEMBL12822 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL12823 | [C][C][Branch1][C][C][N][Branch2][Ring1][S][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C] |
CHEMBL12908 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL12909 | [C][C][C][C][C][N][=C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring1][O] |
CHEMBL12841 | [O][=C][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Branch1] |
CHEMBL12842 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][Branch1][Ring2][C][C][Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] |
CHEMBL12843 | [O][C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL516 | [C][N][C][C][C][=Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
CHEMBL12933 | [O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][=N][C][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL12859 | [C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL12860 | [C][C][Branch1][C][C][N][Branch2][Ring1][#C][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL12861 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=C][C][C][C][Ring1][=Branch1] |
CHEMBL12862 | [C][C][C][C][/N][=C][Branch1][C][/C][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] |
CHEMBL12863 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P] |
CHEMBL12881 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] |
CHEMBL12882 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[Cl-1] |
CHEMBL12883 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
CHEMBL12884 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][Ring1][S][=O] |
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