chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4279508 | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][O][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Branch1][#Branch1][C][Ring2][Ring1][=N][Branch1][C][C][C] |
CHEMBL4279509 | [C][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2] |
CHEMBL4279510 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][N] |
CHEMBL4279511 | [C][O][C@@H1][C][C@H1][Branch2][Branch2][#Branch2][C][C@@H1][Branch1][C][C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][Branch1][C][\C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Branch1][O][C][C][C@H1][Ring2][=Branch1][Ring2][O] |
CHEMBL4279512 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=C][Branch1][=N][\C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4279596 | [C][C][=Branch1][C][=O][N][C@H1][Branch1][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][Branch3][Ring1][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][C][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][=C][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch2][#Branch1][=N][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][=Branch1][C][=O][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@@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][Branch2][C][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][O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O] |
CHEMBL4279597 | [O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N][O][Ring2][Ring1][C] |
CHEMBL4279598 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][Branch1][N][C][C@@H1][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][Ring1][#Branch2][O][Ring2][Ring1][Ring1] |
CHEMBL4279599 | [N][#C][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][S][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279687 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][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][Ring2][Ring1][#Branch2] |
CHEMBL4279688 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4279689 | [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][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][=C][Ring1][#Branch2] |
CHEMBL4279690 | [C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Branch2][S+1][Branch1][C][O-1][C][C][C][C][=C][Ring1][O][S][Ring1][=C] |
CHEMBL4279691 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][C][C][N][Branch2][Ring1][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2] |
CHEMBL4279786 | [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][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4279787 | [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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][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][=C][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][=C][C][=Branch1][C][=O][O][C][Ring1][O][=C][Ring1][#C] |
CHEMBL4279788 | [O][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch2] |
CHEMBL4279789 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][=C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2] |
CHEMBL4279790 | [C][/N+1][Branch1][C][O-1][=C][\C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4279791 | [C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][F][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][C][C][C][Ring1][Branch1] |
CHEMBL4279792 | [C][C][C@H1][C@@H1][C][=C][C@@H1][C@H1][/C][=C][/C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C@@H1][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][C@H1][Ring2][Ring1][#Branch2][C][C@H1][Ring2][Ring1][=N][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] |
CHEMBL4279793 | [C][C][Branch1][C][C][O][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring1] |
CHEMBL4279879 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C@H1][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Branch1][C][C][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL4279880 | [C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][/C][=Branch1][=Branch2][=C][/N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][S][C][C][C@@][Ring2][Ring1][Ring2][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4279881 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][=N] |
CHEMBL4279882 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][#Branch2][O][C][C][O][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][=C][C][=C][Ring2][Branch1][Branch1][Ring2][Ring2][O] |
CHEMBL4279883 | [C][N][C][=C][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][O][C][=N][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][O][=C][N][=C][Ring2][Ring1][=N][Ring1][=C] |
CHEMBL4279960 | [C][C@@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4279961 | [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][O][N][=Ring2][Ring1][O] |
CHEMBL4279962 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@H1][Ring1][=C][N][C][C][Ring2][Ring1][C] |
CHEMBL4279963 | [C][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N] |
CHEMBL4280044 | [C][C][=C][C][=C][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][C][Ring1][S][=Ring1][N] |
CHEMBL4280045 | [N][C][=N][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4280046 | [C][N+1][=C][C][=C][C][Branch2][Ring2][S][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1] |
CHEMBL4280047 | [C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][P][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4280048 | [O][=C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][/C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4280126 | [C][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][O][C][C][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C].[Cl] |
CHEMBL4280127 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][F][C][=C][Ring1][#Branch2][F][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4280128 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N+1][=N][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N].[Br-1] |
CHEMBL4280129 | [N][C][=N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4280211 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][N][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][S][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4280212 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch2] |
CHEMBL4280213 | [C][C][Branch2][Ring2][N][N][C][=N][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][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4280214 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] |
CHEMBL4280302 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280303 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][C][O][=C][C][Ring1][#Branch1][=C][Ring1][O][/C][=N][/O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][S][S][C][C][N][C][=Branch1][C][=O][/C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][=N][\O] |
CHEMBL4280304 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][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][Ring2][Ring1][#Branch2] |
CHEMBL4280305 | [C][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280306 | [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][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][S][/C][=Branch1][#Branch1][=C][/C][C][C][C][C][C][Ring1][N][=O][N][=N][Ring2][Ring1][Ring1] |
CHEMBL4280307 | [C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4280308 | [N][C][=C][C][Branch1][#C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][NH1][C][Ring1][S][=O] |
CHEMBL4280384 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4280385 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4280386 | [C][C][C][C][C][C][C][=C][C][=C][Branch2][#Branch1][#Branch2][C][=C][C][=C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][N][Branch1][Branch1][N][=N][Ring1][Branch1][C][C][N][C][C@@H1][O][B][Branch1][Branch2][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C@H1][Branch1][C][C][N][C][Ring2][Ring1][Branch1][=O][C@@H1][Branch1][C][C][O][C][=C][Ring2][Branch1][Ring1][C][=C][Ring2][Branch1][=Branch2] |
CHEMBL4280387 | [C][C][Branch1][C][C][C][C@@H1][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][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][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][=C][C][=C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][P][S][C@][Ring1][Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][C][S][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][Ring2][Branch2][=Branch2][=O] |
CHEMBL4280388 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][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][C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N] |
CHEMBL4280389 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N] |
CHEMBL4280469 | [C][C][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][#C][O] |
CHEMBL4280470 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=Ring1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4280471 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=Ring1][N][Ring2][Ring1][Branch1] |
CHEMBL4280472 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4280473 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][=N][N][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch1][C][O] |
CHEMBL4280554 | [C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4280555 | [C][C][=N][N][Branch1][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][/C][=N][\O][C][C][=C][Branch1][C][Cl][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C] |
CHEMBL4280556 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][P][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][N] |
CHEMBL4280557 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch2][C][C][C][C][Ring1][=Branch1][=O][N][Ring2][Ring1][=C] |
CHEMBL4280648 | [C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][N][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4280649 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][N].[Cl] |
CHEMBL4280650 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O] |
CHEMBL4280651 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][O][C][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4280724 | [C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4280725 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=N] |
CHEMBL4280726 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N] |
CHEMBL4280727 | [N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][N][C][=Ring1][#C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4280806 | [C][N][Branch1][C][C][C][C][O][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][=N][C][Branch2][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][N] |
CHEMBL4280807 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4280808 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][Se][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4280809 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4280810 | [C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1] |
CHEMBL4280811 | [C][/C][=C][Branch2][#Branch1][Branch2][\N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][O] |
CHEMBL4280892 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4280893 | [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] |
CHEMBL4280894 | [C][C][O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Ring1] |
CHEMBL4280895 | [C][C][N][C][C][C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C] |
CHEMBL4280896 | [C][C][C][Branch1][C][C][C][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][P][Ring1][=N] |
CHEMBL4280977 | [O][C][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] |
CHEMBL4280978 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][#C][N][C][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][C][Ring1][S][=C][C][=C][Ring2][Ring1][#Branch1][C][O] |
CHEMBL4280979 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#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][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4280980 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4281062 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281063 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] |
CHEMBL4281064 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][N][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4281065 | [C][=C][C][C@H1][C][=C][Branch1][P][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][Branch2][C][C@H1][Ring1][N][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][C][=C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4281066 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][S][O] |
CHEMBL4281140 | [C][C][N][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4281141 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][O][Ring1][#C] |
CHEMBL4281142 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4281143 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring2][S][C][/C][=C][/C][Branch1][=C][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][Branch1][=C][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring2][Ring2][Branch1] |
CHEMBL4281144 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C][C][C][Ring2][Ring1][Ring2] |
CHEMBL4281145 | [O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][Ring1][N] |
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