smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)c3cccc4c3c2NC4=O)ccc1O ZINC000102628686 554988482 /nfs/dbraw/zinc/98/84/82/554988482.db2.gz PDRNGFRTJRGNJW-UHFFFAOYSA-N -2 2 599.555 2.815 40 10 KFCBLL Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408818700 1059574063 /nfs/dbraw/zinc/57/40/63/1059574063.db2.gz QEWSCHGNNGRRQY-DJKKODMXSA-N -2 2 517.450 2.886 40 10 KFCBLL