smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(S(=O)(=O)F)cc4C)CC3)C2)cc1 ZINC001164944598 721933557 /nfs/dbraw/zinc/93/35/57/721933557.db2.gz SYOUNKXWGGGCLJ-UHFFFAOYSA-N 1 0 433.549 3.228 20 70 IGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838643 720729614 /nfs/dbraw/zinc/72/96/14/720729614.db2.gz VCEZTXSGBISLSW-LJQANCHMSA-N 1 0 433.549 3.308 20 70 IGIDRO Cc1cc(S(=O)(=O)F)cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838642 720728761 /nfs/dbraw/zinc/72/87/61/720728761.db2.gz VCEZTXSGBISLSW-IBGZPJMESA-N 1 0 433.549 3.308 20 70 IGIDRO