chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4247103 | [O][=C][Branch1][C][O][C@H1][Branch2][Ring2][N][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4247105 | [O][=C][Branch1][C][O][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247370 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2] |
CHEMBL4247371 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][O][Ring1][S][=C][N][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4247374 | [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][Ring1][=C][C][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring1][=C][C][Ring1][O][=Ring1][#Branch1][O][C][O][Ring1][=N] |
CHEMBL4247377 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4247744 | [C][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch1][S][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][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4247747 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][=Branch1] |
CHEMBL4247748 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4247751 | [C][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CHEMBL4247752 | [C][C][=C][C][=C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][N] |
CHEMBL4247753 | [O][=C][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][C][N][Ring1][P][Ring1][=Branch1] |
CHEMBL4248009 | [C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4248015 | [C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][P][=C][C][C][=N][NH1][C][Ring2][Ring1][#C][=Ring1][Branch1] |
CHEMBL4248018 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4248019 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][O] |
CHEMBL4248022 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4248023 | [C][C@@][C][C][C@H1][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch2][Ring1][Ring2][C][/C][Ring2][Ring1][Ring2][=N][\N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C] |
CHEMBL4248274 | [O][=C][Branch2][Ring2][N][C][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][=Branch2][O][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4248276 | [O][=C][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4248278 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Ring1][O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4248280 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248282 | [C][C][=C][C][=C][Branch2][Branch1][#Branch1][C@H1][Branch2][Ring1][S][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch1][S][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][S][Ring2][Ring2][Ring2] |
CHEMBL4248541 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][C][C] |
CHEMBL4248543 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Branch1][C][I][C][=C][N][Ring1][=N][Ring1][#Branch1] |
CHEMBL4248544 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4248546 | [O][=C][Branch2][Ring1][#C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4248548 | [O][=C][Branch2][Ring1][=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][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4248831 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4248832 | [N][C][C][C][C][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4248834 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][C][Ring1][N][=Ring1][Branch1][=C][Ring2][Ring1][C][C] |
CHEMBL4248836 | [C][C][O][C][Branch1][Ring2][O][C][C][P][=Branch1][C][=O][Branch1][Branch2][C][C][C][C][N][=C][=S][O][C][C] |
CHEMBL4249068 | [C][O][C][=C][C][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][Cl] |
CHEMBL4249069 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][#Branch2][Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4249070 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4249078 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4249351 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4249352 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][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][N][=C][NH1][Ring1][Branch1][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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#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][#Branch1][C][C][Branch1][C][C][C][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][=O][O][C][Branch1][C][N][=O] |
CHEMBL4249355 | [C][N][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][Ring2][Ring1][=N] |
CHEMBL4249357 | [C][N][C][=C][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][=N][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL4249358 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4249677 | [C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4249679 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][N][=C][Ring2][Ring1][Ring1][Ring1][#C] |
CHEMBL4249680 | [O][=C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=N] |
CHEMBL4249681 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][P][=C][Ring2][Ring1][=Branch2] |
CHEMBL4249917 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][B][Branch1][C][O][O] |
CHEMBL4249920 | [C][N][C][=N][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4249923 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][S][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4249925 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4250193 | [C][O][C][=C][Branch1][Ring1][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=Branch1][#Branch1][=C][Ring2][Ring1][C][O][C][C][=Ring1][P][C][=Ring1][#Branch2][Ring1][=C][O][C][O][Ring1][#C] |
CHEMBL4250194 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL4250196 | [C][O][C@H1][C][C@H1][Branch2][Ring2][=C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N] |
CHEMBL4250476 | [C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C@@H1][C@H1][C][C@@H1][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@@H1][Ring1][N][C][C][C@@][Ring2][Ring1][=Branch2][Ring1][S][C] |
CHEMBL4250481 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C@H1][C][C][C@H1][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] |
CHEMBL4250482 | [C][C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4250791 | [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4250795 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N] |
CHEMBL4250799 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][=Branch2][C][=C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][N][C][C][C][Ring1][Ring1] |
CHEMBL4250806 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL4250812 | [C][O][C@H1][C][N][C][C@@H1][Branch1][P][O][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C@@H1][Ring1][S][N][C][=N][C][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=Ring1][Branch2] |
CHEMBL4250823 | [O][=C][NH1][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] |
CHEMBL4251148 | [C][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4251151 | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=Ring1][=N][=C][Ring2][Ring1][#Branch2][C] |
CHEMBL4251153 | [O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4251156 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CHEMBL4251396 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][O][O][C][C][C][C][C][N][C][C][O][C][Branch1][C][O][=C][Ring2][Ring1][N][Ring2][Ring1][C] |
CHEMBL4251397 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][C][=N][O][C@H1][O][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][C][Branch1][C][C][C] |
CHEMBL4251399 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] |
CHEMBL4251404 | [C][O][C][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Branch1][Branch2][C][=N][C][=C][C][Branch2][Ring2][Branch1][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][O][C][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4251405 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] |
CHEMBL4251412 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4277364 | [C][O][C][C][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4277365 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4277366 | [C][C][C][C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4277367 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277368 | [C][C][C][C][C][C][N][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=N][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CHEMBL4277451 | [C][C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4277452 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][C] |
CHEMBL4277453 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4277454 | [C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277455 | [C][C][=C][C][Branch1][C][O][=C][Branch1][=C][C][=Branch1][C][=O][/C][=C][/C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][Ring1][P] |
CHEMBL4277541 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][S][=O] |
CHEMBL4277542 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][#C] |
CHEMBL4277543 | [C][C][Branch1][C][C][Branch1][C][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4277544 | [N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4277545 | [C][N][C][=C][Branch2][Ring1][P][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N] |
CHEMBL4277546 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][C][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=C][C][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][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][N][O][C][O][Ring1][#Branch2][=C][Ring2][Ring2][=Branch1][O][C].[Br-1] |
CHEMBL4277547 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=N][/N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O][Ring2][Ring2][C] |
CHEMBL4277625 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][Branch2] |
CHEMBL4277626 | [O][C][C@H1][O][C@@H1][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][O][C][C][Ring1][Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=N][F] |
CHEMBL4277627 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch2][N][C][C@H1][O][C@@H1][Branch1][Ring1][O][C][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][N][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4277628 | [O][=C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][N][Ring2][Ring1][#Branch2] |
CHEMBL4277629 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277630 | [C][C][C][=N][C][=C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][F][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][N][=C][Ring2][Ring2][=Branch1][NH1][Ring2][Ring2][=Branch2] |
CHEMBL4277631 | [C][O][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][N][C][=C][Branch2][Branch1][=N][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][Ring2][Ring2][N] |
CHEMBL4277714 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][O][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2] |
CHEMBL4277715 | [C][O][C][=Branch1][C][=O][C][C@H1][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Branch1][=C][C][C][C@@][Ring1][=Branch1][Branch1][C][C][N][Ring1][O][Ring1][#C][C@][Ring1][O][Branch1][C][C][N][C][Branch1][C][C][=O] |
CHEMBL4277716 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4277717 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][O] |
CHEMBL4277718 | [C][C][C][N][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][N][C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C@H1][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C][=O] |
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