chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4291534 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4291535 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][O][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4291536 | [C][O][C][=C][C][=C][Branch2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=N] |
CHEMBL4291537 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL4291538 | [O][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][Ring1][C][O][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][Branch2] |
CHEMBL4291613 | [O][=C][Branch2][Ring1][Ring2][N][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4291614 | [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][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4291615 | [C][C][=Branch1][C][=O][/C][=C][/C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2] |
CHEMBL4291616 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring2][Ring2][C][N][Branch2][#C][S][C][C][=Branch1][C][=O][N][Branch2][=C][#Branch2][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][P][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][N] |
CHEMBL4291617 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring1][P][=C][C][=C][Ring2][Ring1][Branch2][C][O] |
CHEMBL4291699 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291700 | [C][C][Branch1][C][C][Branch2][Branch1][S][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#C][C][C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][O][C][C][Ring2][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4291701 | [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][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][=Branch2][=Branch2][=O] |
CHEMBL4291702 | [C][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2] |
CHEMBL4291703 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4291704 | [C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O] |
CHEMBL4291705 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][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][=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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][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][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4291706 | [C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][N][C][=C][C][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][S] |
CHEMBL4291784 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C@H1][Ring1][#C][N][C][Branch1][C][C][=O] |
CHEMBL4291785 | [C][N][Branch1][C][C][C][C][C][C][N][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291786 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][S][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][O][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][=N][C][Ring2][Ring1][N][=C][Ring2][Ring2][C] |
CHEMBL4291787 | [C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring1] |
CHEMBL4291788 | [C][C][Branch1][C][C][=C][C][C@@][O][C][Branch1][C][C][Branch1][C][C][C@H1][C][C@H1][Branch2][Ring2][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=Branch1][=N][=C][Ring1][#Branch1][O][C@][Ring1][N][Ring1][S][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][O][Ring1][N][C][Ring2][Ring1][=N][=O] |
CHEMBL4291789 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4291790 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C][Branch1][C][N][=O] |
CHEMBL4291791 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=N][/N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][S] |
CHEMBL4291792 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4291866 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][C][C][C][=Ring2][Ring1][C][N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291867 | [N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4291868 | [C][C][C][S][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][S][C][Ring1][O][=C][Ring1][#C] |
CHEMBL4291869 | [C][S][=Branch1][C][=O][=Branch1][C][=O][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][C][C][C][C][Ring1][Ring2] |
CHEMBL4291951 | [C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C][C][C][C][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL4291952 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][Ring1][C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch1][Ring1][O] |
CHEMBL4291953 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4291954 | [C][O][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][=C][Branch2][=Branch1][=Branch2][C][=C][C][=C][Branch2][Branch1][=N][O][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][=C][O][C][Ring2][Branch1][Branch1][=C][Ring2][Branch1][P] |
CHEMBL4291955 | [O][=C][N][C][=Branch1][C][=O][/C][=Branch2][Branch1][Ring1][=C][\C][=C][C][=C][Branch2][Ring2][=Branch1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=N][S][Ring2][Ring2][Ring2] |
CHEMBL4291956 | [C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4291957 | [F][C][=C][C][=C][Branch2][Branch1][P][C@H1][C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C@H1][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][=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][N][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4292042 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][C][=N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][C][=Ring1][Branch2][C][Ring1][N][=O][C][C][Ring2][Ring1][Branch1] |
CHEMBL4292043 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][Branch1][N][C][=C][C][=C][Branch2][Ring2][S][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C@@H1][C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O][C][=C][Ring2][Ring1][P][C][Ring2][Ring2][=Branch1][=O] |
CHEMBL4292044 | [C][N][C][=Branch1][C][=O][C][Branch1][Branch1][N][C][C][N][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4292045 | [C][N][C][=Branch1][C][=N][N][C][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] |
CHEMBL4292046 | [C][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][S][C][Ring2][Ring1][C][=Ring1][=C][=C][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4292047 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch2][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4292124 | [C][C@@H1][Branch2][Ring1][=Branch1][O][C][=C][N][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4292125 | [C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C] |
CHEMBL4292126 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][NH1][C][=C][C][=Branch1][O][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][C][Branch1][P][C@@H1][C][=C][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][=C][O] |
CHEMBL4292127 | [C][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4292205 | [C][C][C][C][N][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O] |
CHEMBL4292206 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C@H1][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][P][O] |
CHEMBL4292207 | [C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4292208 | [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][N][C][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=N][Ring1][S] |
CHEMBL4292209 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][N] |
CHEMBL4292210 | [O][=C][/C][=Branch2][Ring2][Branch2][=C][/C][=C][C][=C][C][Branch2][Ring1][O][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][Branch2][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][=Branch2][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4292211 | [O][=C][C][Branch1][C][O][=C][Branch1][C][I][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4292306 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][O][O][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4292307 | [C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][C][C@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][O][Ring1][S][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N] |
CHEMBL4292308 | [O][=C][Branch2][Ring1][Branch1][N][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4292309 | [C][C][C][C][C][C][C][C][O][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][Ring2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][N][C@@H1][Ring2][Ring1][=C][O] |
CHEMBL4292310 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4292311 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4292313 | [C][O][C][=C][C][Branch2][=Branch1][=Branch1][C@@H1][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][Ring1][S][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][P][O][C][O][Ring2][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][N][O][C] |
CHEMBL4292391 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292392 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][N][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=Branch1][=N][C][Branch1][N][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][=N] |
CHEMBL4292393 | [C][O][C][=N][C][Branch1][#C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4292394 | [C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4292395 | [C][C][=C][C][=C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][O] |
CHEMBL4292480 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N] |
CHEMBL4292481 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] |
CHEMBL4292482 | [C][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][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][#Branch2] |
CHEMBL4292483 | [C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4292561 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][Ring2][Ring1][Branch1] |
CHEMBL4292562 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=C][C][N][C][C][N][Branch2][Ring2][P][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch2][Ring1][N][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2] |
CHEMBL4292563 | [O][=C][Branch1][C][O][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] |
CHEMBL4292564 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4292565 | [C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][Branch1][#Branch1][C@@H1][Branch1][C][O][C][O][C][=C][Ring1][O][C][C][C@@H1][Ring1][S][Ring2][Ring1][=Branch2] |
CHEMBL4292650 | [C][O][C][=Branch1][C][=O][C][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][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][Ring2][Ring1][Branch1][Ring1][=C] |
CHEMBL4292651 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][=C][C][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4292652 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P] |
CHEMBL4292653 | [C][C][C][/C][=C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][Ring1][C][O][C][C@@H1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][#Branch1][Ring1][#C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][#Branch1][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL4292654 | [C][O][C][=C][C][Branch2][Branch1][Ring1][C@@H1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch1][P][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O] |
CHEMBL4292655 | [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][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4292656 | [C][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4292657 | [C][C@@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1] |
CHEMBL4292734 | [Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][C][C][O][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] |
CHEMBL4292735 | [N][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][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][=Branch2] |
CHEMBL4292736 | [Cl][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][=N][C][=Ring1][S][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4292737 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4292812 | [N][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][C][=C][Ring1][=C][C][=Ring1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4292813 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4292814 | [O][=C][Branch2][Ring1][N][N][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4292815 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring2][Ring2][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][Branch1][Ring1][O][=C][C][=C][Ring2][Ring1][P][Ring2][Ring1][N] |
CHEMBL4292817 | [C][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL4292891 | [C][C][S][C][Branch2][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][S][Ring1][=Branch1].[Cl] |
CHEMBL4292892 | [C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C@H1][C][C][C][C@H1][Ring1][Branch1][O][=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] |
CHEMBL4292893 | [C][C][Branch1][C][C][N][C][C][C][N][Branch2][Ring2][Ring1][C][C][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][S][Ring2][Ring1][#Branch2][=Branch1][C][=O][=O] |
CHEMBL4292894 | [C][O][/N][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O] |
CHEMBL4292895 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][N][N][Ring2][Ring1][S] |
CHEMBL4292978 | [C][O][C@@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][P][N][P][Branch1][C][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL4292979 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] |
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