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(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000001654480 206890967 /nfs/dbraw/zinc/89/09/67/206890967.db2.gz SVMGGVKPYCCFKL-UHFFFAOYSA-N -2 0 364.291 3.051 1 5 FGBFRL