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)ccc1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000125351520 162269176 /nfs/dbraw/zinc/26/91/76/162269176.db2.gz WEHWCQNHFHTCDB-UHFFFAOYSA-N -2 2 342.229 3.277 20 5 EGBDLL