smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2nc(Cl)c(C=[NH+][N-]c3ccc(S(=O)(=O)[N-]c4ccccn4)cn3)s2)cc1 ZINC000914699056 1066482199 /nfs/dbraw/zinc/48/21/99/1066482199.db2.gz AUHFIEZLPDLYJX-UHFFFAOYSA-N -1 0 500.009 4.885 20 30 KJEDRM CC1(C)CC(=O)C(=C([O-])CCOCCOCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)C1 ZINC001585337390 1067206905 /nfs/dbraw/zinc/20/69/05/1067206905.db2.gz KSGLFBCFELHOPT-UHFFFAOYSA-N -1 0 521.610 4.719 20 30 KJEDRM