chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4285667 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Ring1][#C][Ring1][N] |
CHEMBL4285668 | [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@@H1][Ring1][#C][C][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4285745 | [C][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=C][S][Ring1][=N][O][N][=Ring2][Ring1][Branch1] |
CHEMBL4285746 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][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][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][#Branch1][#Branch1][=O] |
CHEMBL4285747 | [C][C][=C][C][Branch2][Branch1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring1][N][Cl][C][Ring2][Ring1][=Branch2][=N][C][=N][Ring2][Ring2][Branch2] |
CHEMBL4285748 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Branch2][Ring2][=Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N] |
CHEMBL4285749 | [C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4285750 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][P][N][=C][N][=C][Ring2][Ring1][Branch2][S][Ring2][Ring1][O][C][=C][Ring2][Ring1][P] |
CHEMBL4285751 | [N][#C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O] |
CHEMBL4285752 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4285837 | [C][C][C][=C][C][=N][C][=C][C][Branch1][=N][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4285838 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=S][N][C][C][N][Branch1][=C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][O] |
CHEMBL4285839 | [O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4285840 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] |
CHEMBL4285841 | [C][N][C][=C][C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][=N][N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][N][=C][Ring2][Ring1][#Branch2][Ring1][O] |
CHEMBL4285842 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4285843 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][C][=Ring1][=N][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4285926 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch2][Ring1][Ring1][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1] |
CHEMBL4285927 | [C][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=C][Ring1][O][C][=N][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][Cl] |
CHEMBL4285928 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][=Branch2] |
CHEMBL4285929 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C][C@@H1][C][=Branch2][Ring2][Ring2][=C][C][C@@H1][C@][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C@@][Ring1][=Branch2][Branch1][C][C][C][C][=Branch1][C][=O][C@@][Ring2][Ring1][Ring1][Ring1][#C][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
CHEMBL4285930 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4285931 | [C][O][C][=C][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][N][Branch2][Branch1][=C][C][C][=Branch1][C][=O][N][C@@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2][N][=N][Ring2][Ring2][=Branch1][C][=C][C][Ring2][Ring2][N][=C][Ring2][Ring2][S] |
CHEMBL4286007 | [C][#C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C][C@H1][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C@H1][Ring1][#Branch1][C][C@H1][Ring1][N][C][Ring1][S][=C] |
CHEMBL4286008 | [C][C][Branch1][C][C][C][C][#C][C][=C][C][=N][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL4286009 | [C][O][C][=C][C][=C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][=C][C][=N][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring2][N][C][=C][Ring2][Branch1][C] |
CHEMBL4286010 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][C][#C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4286011 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][C][=Branch1][#Branch1][=N][NH1][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4286086 | [C][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4286087 | [C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring1][#C] |
CHEMBL4286088 | [C][C][C][Branch2][Ring1][O][/C][=C][\O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][#C][C][C][=C][\C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N+1][=Ring1][#C][C][C].[O][=N+1][Branch1][C][O-1][O-1] |
CHEMBL4286089 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4286090 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][C][=C][Ring1][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4286170 | [C][C][=C][C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O][=N][O][Ring2][Ring1][O] |
CHEMBL4286171 | [O][=C][C][=C][Branch2][Ring1][#C][S][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][O] |
CHEMBL4286172 | [C][C][C][Branch1][Branch2][O][C][C@H1][Branch1][C][C][O][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][=Branch1][Ring2][Ring1][=C] |
CHEMBL4286173 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4286174 | [F][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][#C][C][C][C][N][C][C][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4286269 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
CHEMBL4286270 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][Ring2][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][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][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][C][C][C] |
CHEMBL4286271 | [C][C][=Branch1][C][=O][O][/N][=C][\C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][C][C][Ring2][Ring2][#Branch1][Branch1][C][C][C] |
CHEMBL4286272 | [C][N][C][=N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][F][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][Cl][=C][Ring2][Ring1][=C] |
CHEMBL4286273 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][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][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4286358 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][S] |
CHEMBL4286359 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4286360 | [C][C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][Branch2][=O][S][Ring2][Ring1][#Branch2] |
CHEMBL4286361 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Branch2] |
CHEMBL4286362 | [C][O][C][=C][C][Branch1][#Branch2][/C][=N][/N][C][=N][N][=C][Ring1][Branch1][=C][C][=Branch1][P][=C][Ring1][=N][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Branch2][O][C][O][Ring1][=Branch2] |
CHEMBL4286363 | [C][/N][=C][Branch1][Ring1][/N][C][N][C][C][C][C@H1][Branch2][Branch1][#Branch2][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4286448 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring1][P][C][Ring2][Ring1][Branch2] |
CHEMBL4286449 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][O][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4286450 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4286451 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4286452 | [C][C][Branch1][C][C][C][N][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=N][C][S][C][Branch1][Ring2][C][C][Cl][=C][C][Ring1][N][=Ring1][Branch2][C][C][Ring2][Ring1][C][S][Ring2][Ring1][Branch2] |
CHEMBL4286544 | [C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][O][N][C][=N][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4286545 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4286546 | [F][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4286547 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring1][N][=C][Ring2][Ring1][Branch1][F] |
CHEMBL4286621 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][C][C][Ring1][=Branch1][C][O][C][Ring1][Branch2][=N][C][Branch1][=C][N][C][C][C][C][C][Ring1][=Branch1][C][O][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][P] |
CHEMBL4286622 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4286623 | [C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring2][Branch1] |
CHEMBL4286624 | [C][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring1][=N][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4286625 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4286711 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4286712 | [C][C][Branch1][C][C][Branch1][C][C][C][C][#C][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][N][=C][N][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2] |
CHEMBL4286713 | [C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] |
CHEMBL4286714 | [C][O][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch2][Branch1][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C@@H1][Ring2][Ring2][Ring2][Ring2][Ring2][Branch2] |
CHEMBL4286715 | [O][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][=N][N][C][C@@H1][C][N][C][C@@H1][Ring1][Branch1][C][Ring1][Branch2][N][=N][Ring1][=C] |
CHEMBL4286716 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4286791 | [C][P+1][Branch1][C][C][Branch1][C][C][C][C][S][C][C@H1][Branch1][C][N][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][Branch1][C][C][Branch1][C][C][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][Branch1][C][C][Branch1][C][C][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][S][C][C][P+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4286792 | [N][=C][N][C@H1][C@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=N][N][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][O][Branch1][C][O][C@][Ring2][Ring1][P][Ring2][Ring1][Ring2][N][Ring2][Ring2][Ring2] |
CHEMBL4286793 | [O][=C][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][O][C][C][C][C][=C][N][Branch2][Ring2][C][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Ring2][P][Ring1][#Branch1] |
CHEMBL4286794 | [C][O][C][=C][C][=C][Branch2][Ring2][S][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4286795 | [C][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4286796 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][C] |
CHEMBL4286797 | [O][=C][Branch2][Ring2][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CHEMBL4286863 | [C][N][C][C][N][Branch2][Ring2][=Branch1][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Branch2][=Ring1][N][C][C][Ring2][Ring1][=C] |
CHEMBL4286864 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][C][C][Ring1][P][=O] |
CHEMBL4286865 | [C][N][Branch2][Ring1][Branch1][C@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4286866 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=C][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4286867 | [O][=C][Branch2][Branch1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][N][O] |
CHEMBL4286945 | [N][C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4286946 | [O][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4286947 | [C][C@H1][Branch2][Ring2][N][N][C][=C][C][Branch1][O][N][C@@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4286948 | [C][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][N][C][=C][C][Branch1][C][N][=N][Ring1][=Branch1][C][=C][Ring1][N][O][N][=N][Ring2][Ring1][Ring1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] |
CHEMBL4287034 | [O][=C][Branch1][=N][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#Branch2][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4287035 | [C][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4287036 | [C][C][=C][C][=C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][C][Ring1][N][=C][Ring1][S] |
CHEMBL4287037 | [N][#C][C][Branch2][Branch1][Ring2][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch1][=C][C][=N][Ring2][Ring1][N][C][C][Ring2][Ring1][#C] |
CHEMBL4287119 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4287120 | [C][C][=C][C][C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
CHEMBL4287121 | [C][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] |
CHEMBL4287122 | [N][#C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][C][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O] |
CHEMBL4287123 | [C][C][Branch1][C][C][C][#C][C][=C][C][=C][O][C][=N][C][Branch1][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4287205 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4287206 | [O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4287207 | [O][=C][Branch2][Ring1][P][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4287208 | [C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][S] |
CHEMBL4287291 | [C][O][C][=C][C][Branch2][Ring2][C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][NH1][N][=C][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=N][Ring2][Ring1][Ring2][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=N][O] |
CHEMBL4287292 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.