smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(C(=O)[O-])cc(=O)c2cc3c(=O)cc(C(=O)[O-])oc3cc21 ZINC000029545366 202189643 /nfs/dbraw/zinc/18/96/43/202189643.db2.gz XGVCZKSCQNCVKC-UHFFFAOYSA-N -2 0 329.264 1.524 1 5 EDBFRL O=C([O-])c1cc2n(n1)[C@H](C(=O)[O-])Nc1cc(Cl)c([N+](=O)[O-])cc1-2 ZINC000027321013 212553960 /nfs/dbraw/zinc/55/39/60/212553960.db2.gz YPDBDXKMDHIBJN-SNVBAGLBSA-N -2 0 338.663 1.819 1 5 EDBFRL