smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1I ZINC000009235025 569391971 /nfs/dbraw/zinc/39/19/71/569391971.db2.gz HVCUPHYMYGZRIO-HWKANZROSA-N -2 1 415.143 2.167 50 5 HEBAML O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000003129716 568857195 /nfs/dbraw/zinc/85/71/95/568857195.db2.gz GGGNPWOMFMUJSO-UHFFFAOYSA-N -3 1 400.752 2.445 50 5 HEBAML