smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=S)[nH]c([O-])c1C(c1cccc([N+](=O)[O-])c1)c1c([O-])[nH]c(=S)[n-]c1=O ZINC000003668962 568867421 /nfs/dbraw/zinc/86/74/21/568867421.db2.gz MHRIFQKMFPOENH-UHFFFAOYSA-N -4 3 421.416 -1.027 50 5 HABAHL