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(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000036400581 205016383 /nfs/dbraw/zinc/01/63/83/205016383.db2.gz UAYXSRUWKFPICX-UHFFFAOYSA-N -1 0 394.227 4.590 20 5 GJBDRM