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(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([O-])c2ccccc2c1 ZINC000472489122 1084287601 /nfs/dbraw/zinc/28/76/01/1084287601.db2.gz VISBIUGBIKWLJG-UHFFFAOYSA-N -2 1 358.737 4.065 20 5 FIBDML O=C([N-]c1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc([N+](=O)[O-])o1 ZINC000182976335 1094240494 /nfs/dbraw/zinc/24/04/94/1094240494.db2.gz PSZFJXBZCHKGBP-UHFFFAOYSA-N -2 1 351.529 4.106 20 5 FIBDML