chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4278162 | [C][C][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] |
CHEMBL4278163 | [C][N][Branch2][Branch1][#Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][O][C][=Ring2][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4278164 | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][=N][C][=Ring1][P][O][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CHEMBL4278165 | [O][=S][=Branch1][C][=O][Branch1][C][O][C][C][C][N][/C][=Branch2][Ring1][=Branch1][=N][\N][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4278166 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][S][Ring1][=C] |
CHEMBL4278250 | [C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring1][P] |
CHEMBL4278251 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4278252 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2] |
CHEMBL4278253 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][N][Ring2][Ring1][Branch2][Ring1][=C][C][C][Ring2][Ring1][#C] |
CHEMBL4278254 | [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4278341 | [C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][O][Ring2][Ring1][=C] |
CHEMBL4278342 | [C][O][C][=C][Branch1][C][O][C][=C][Branch2][Ring2][C][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4278343 | [C][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278344 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=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][Ring2][Ring1][O] |
CHEMBL4278345 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278428 | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=N][O][C][C][Branch1][C][O][C][Branch1][C][C][C] |
CHEMBL4278429 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][#C][O][C][=C][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][=C][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4278430 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=N][C][Branch2][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4278431 | [N][#C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][NH1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][O][Ring1][Branch2] |
CHEMBL4278432 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][N][=C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] |
CHEMBL4278433 | [C][O][C][=C][C][=C][Branch2][Branch1][#C][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Ring2][Ring2][Ring1][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][O] |
CHEMBL4278511 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=N][/N][C][=Branch1][C][=O][N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][#C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][#C] |
CHEMBL4278512 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][=N][Ring2][Ring1][=C] |
CHEMBL4278513 | [C][C][C][C][C][Branch2][Ring1][P][O][C][=N][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C] |
CHEMBL4278514 | [C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4278515 | [C][O][C][C][C][C][C][N][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][N][Ring1][S] |
CHEMBL4278595 | [C][O][C][=Branch1][C][=O][C@][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4278596 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C@H1][/C][=Branch2][Ring1][Ring2][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][C][O] |
CHEMBL4278597 | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O] |
CHEMBL4278598 | [O][=S][=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][N][Ring2][Ring1][#Branch2][C][C][C][C][Ring1][Ring2] |
CHEMBL4278599 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4278600 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#C][O][C].[Br-1] |
CHEMBL4278684 | [C][O][C][C][C][C][C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4278685 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][S][C][Branch1][C][C][C][C][=C][Ring1][O][C@H1][Ring2][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4278686 | [C][O][C][N][=C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][S][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CHEMBL4278687 | [C][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4278688 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][O][Ring1][#Branch1][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4278772 | [C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch1][=C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] |
CHEMBL4278773 | [O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][C][=N][Ring2][Ring1][=Branch1] |
CHEMBL4278774 | [C][O][C@H1][O][C][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch2][#Branch1][O][C@][Ring1][#C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring2][#Branch1][C][C][Ring2][Ring2][=N][C@@][Ring2][Branch1][#C][Ring2][Branch1][=Branch2][O][O][Ring2][Branch1][#C] |
CHEMBL4278775 | [C][N][/C][=Branch1][=N][=N][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][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][#C][=O] |
CHEMBL4278776 | [C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4278855 | [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][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4278856 | [C][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O] |
CHEMBL4278857 | [C][C][N+1][Branch1][C][C][Branch2][Ring2][Branch2][C][C][C][C][C][N][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][C][=C][N][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[I-1] |
CHEMBL4278858 | [N][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4278859 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][C] |
CHEMBL4278943 | [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][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][Ring2] |
CHEMBL4278944 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4278945 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4278946 | [O][=C][NH1][C][=Branch1][C][=S][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][N][=C][NH1][C][Ring1][S][=Ring1][Branch1] |
CHEMBL4279021 | [C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4279022 | [O][=C][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4279023 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=N][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Branch1][C][C][C][Ring1][#C][=Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][P][=C][Ring2][Ring1][=N] |
CHEMBL4279024 | [C][C][=C][N][Branch2][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=N][Ring2][Ring1][Ring1] |
CHEMBL4279025 | [C][C@@H1][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][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][C@@][Ring2][Ring1][Branch2][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C@H1][Ring2][Ring2][#Branch1][C] |
CHEMBL4279113 | [C][O][C][C][C][N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C] |
CHEMBL4279114 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N] |
CHEMBL4279115 | [C][C][N][C][=C][Branch2][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4279116 | [O][=C][Branch2][Ring1][#Branch2][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][C][C][C][C][C][Branch1][Branch2][C][C][Ring1][#Branch1][C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL4279193 | [C][C][=C][C][=C][C][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4279194 | [C][C][Branch1][C][C][Branch1][C][O][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][Cl][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][O] |
CHEMBL4279195 | [C][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C] |
CHEMBL4279196 | [C][C][C][C][C][C][C@H1][Branch1][C][O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][O] |
CHEMBL4279284 | [C][N][Branch1][C][C][C][C][O][C][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] |
CHEMBL4279285 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N][O][Ring2][Ring1][=C] |
CHEMBL4279286 | [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][Cl][N][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][N][Ring2][Ring1][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][O] |
CHEMBL4279287 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][=O][C@H1][Branch1][C][C][C][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][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][Branch1][C][C][C] |
CHEMBL4279288 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][=N] |
CHEMBL4279289 | [C][O][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4279290 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][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] |
CHEMBL4279376 | [N][#C][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][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] |
CHEMBL4279377 | [Cl].[Cl].[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][N][C][C][C][C@@H1][Branch1][C][N][C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2] |
CHEMBL4279378 | [C][O][C@H1][C@H1][Branch2][=Branch2][=Branch2][O][C@@H1][Branch2][#Branch1][O][C@H1][Branch2][#Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][C][C][N][C][=Branch1][C][=N][N][Ring1][#Branch1][C@@H1][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][=Branch1][=C][O] |
CHEMBL4279379 | [C][N][Branch1][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] |
CHEMBL4279380 | [C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CHEMBL4279463 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][O][O][N][=N][Ring2][Ring1][C][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][N] |
CHEMBL4279464 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][O][Ring1][#Branch2] |
CHEMBL4279465 | [C][C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=Ring2][Ring1][=N][C][C][=Branch1][C][=S][N][Branch1][C][C][C] |
CHEMBL4279466 | [C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][C][C][C][Branch2][Ring1][O][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][Ring2][Ring1][=Branch2] |
CHEMBL4279548 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][S][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4279549 | [C][C][Branch1][C][C][N][Branch1][Branch1][C][C][C][O][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4279550 | [Cl].[O][=C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4279551 | [O][=C][C][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] |
CHEMBL4279552 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4279637 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279638 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][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][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][#Branch1][Ring2][=O] |
CHEMBL4279639 | [C][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][#C] |
CHEMBL4279640 | [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][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][S][Ring2][Ring1][=Branch1] |
CHEMBL4279641 | [O][C][=C][C][Branch1][C][O][=C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] |
CHEMBL4279642 | [C][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][O][C][Ring2][Ring1][=N][=O] |
CHEMBL4279643 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][Branch1][O][C] |
CHEMBL4279732 | [C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][P][=Branch1][C][=O][C][O][C][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][O][Ring2][Ring1][C] |
CHEMBL4279733 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] |
CHEMBL4279734 | [N-1][=N+1][=N][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Cl] |
CHEMBL4279735 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][N][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring2][Branch2][O] |
CHEMBL4279736 | [C][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4279737 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][N][=N][C][C][=C][S][C][Ring2][Ring1][=Branch1][=Ring1][Branch1] |
CHEMBL4279738 | [C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][=C][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4279834 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][N][C][=N][N][=C][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][C][C][C][Ring1][O] |
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