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([O-])/C=C\C(=O)Nc1cccc2c(NC(=O)/C=C\C(=O)[O-])cccc12 ZINC000031614071 519448700 /nfs/dbraw/zinc/44/87/00/519448700.db2.gz HPIVDRLTGFUGCE-XOHWUJONSA-N -2 0 354.318 1.998 30 0 FDACRL