smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)C2C(=O)N=C(C)NC2=O)c(=O)[nH]1 ZINC000013577244 570850910 /nfs/dbraw/zinc/85/09/10/570850910.db2.gz AYWNIPKTASAERI-UHFFFAOYSA-N -2 1 385.336 0.970 40 5 GCBBML