smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(C(c2ccc(O)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)ccc1[O-] ZINC000003129722 568727604 /nfs/dbraw/zinc/72/76/04/568727604.db2.gz JKRAQDSEBALHRP-UHFFFAOYSA-N -1 2 407.593 4.416 50 5 HIBALM