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(CN=Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cn3)s2)cc1 ZINC000914699056 1066482228 /nfs/dbraw/zinc/48/22/28/1066482228.db2.gz AUHFIEZLPDLYJX-UHFFFAOYSA-N -1 1 500.009 4.885 20 30 KJEDMM CC1(C)CC(=O)C(C(=O)CCOCCOCCNC(=O)OCC2c3ccccc3-c3ccccc32)=C([O-])C1 ZINC001585337390 1067206915 /nfs/dbraw/zinc/20/69/15/1067206915.db2.gz KSGLFBCFELHOPT-UHFFFAOYSA-N -1 1 521.610 4.719 20 30 KJEDMM