smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1nc2ncn(C[C@@H](O)CNC(=O)c3ccc(S(=O)(=O)F)cc3)c2c(=O)[nH]1 43871582 BYQBSVWUVHDBHC-VIFPVBQESA-N 410.387 -0.849 70 1 HBIF O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)c1ccc(S(=O)(=O)F)cc1 105406669 VJKLTZUSJVENLX-BZPMIXESSA-N 413.383 -0.727 70 1 HBIF O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)c1ccc(S(=O)(=O)F)cc1 44018191 VJKLTZUSJVENLX-YRGRVCCFSA-N 413.383 -0.727 70 1 HBIF O=C(NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 44018195 VJKLTZUSJVENLX-OUCADQQQSA-N 413.383 -0.727 70 1 HBIF O=C(NC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 44018197 VJKLTZUSJVENLX-SGMGOOAPSA-N 413.383 -0.727 70 1 HBIF Nc1nc2ncn(C[C@H](O)CNC(=O)c3ccc(S(=O)(=O)F)cc3)c2c(=O)[nH]1 43871585 BYQBSVWUVHDBHC-SECBINFHSA-N 410.387 -0.849 70 1 HBIF O=C(NC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)c1ccc(S(=O)(=O)F)cc1 44018193 VJKLTZUSJVENLX-MBNYWOFBSA-N 413.383 -0.727 70 1 HBIF O=C(NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1O)c1ccc(S(=O)(=O)F)cc1 105406666 VJKLTZUSJVENLX-DYEKYZERSA-N 413.383 -0.727 70 1 HBIF Nc1nc2ncn(C[C@H](O)CNC(=O)c3cccc(S(=O)(=O)F)c3)c2c(=O)[nH]1 43362090 UBMCWKFKZUQDBY-SECBINFHSA-N 410.387 -0.849 70 1 HBIF O=C(NC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 169360266 VJKLTZUSJVENLX-OBJOEFQTSA-N 413.383 -0.727 70 1 HBIF Nc1nc2ncn(C[C@@H](O)CNC(=O)c3cccc(S(=O)(=O)F)c3)c2c(=O)[nH]1 43362088 UBMCWKFKZUQDBY-VIFPVBQESA-N 410.387 -0.849 70 1 HBIF O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)c1ccc(S(=O)(=O)F)cc1 169360267 VJKLTZUSJVENLX-SCRDCRAPSA-N 413.383 -0.727 70 1 HBIF