smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[P@]([O-])(O)C(F)(F)c1cccc(-c2ccc(CO/N=C/c3ccc(CO)o3)cc2)c1 ZINC000071329802 563162376 /nfs/dbraw/zinc/16/23/76/563162376.db2.gz JLUPCFGZMXWKHG-FOKLQQMPSA-N -1 2 437.335 4.217 1 30 IIEFLM O=[P@@]([O-])(O)C(F)(F)c1cccc(-c2ccc(CO/N=C/c3ccc(CO)o3)cc2)c1 ZINC000071329802 563162378 /nfs/dbraw/zinc/16/23/78/563162378.db2.gz JLUPCFGZMXWKHG-FOKLQQMPSA-N -1 2 437.335 4.217 1 30 IIEFLM COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1C(=O)/C=C/c1ccc(O)cc1 ZINC000049808412 563140363 /nfs/dbraw/zinc/14/03/63/563140363.db2.gz ZHXUQFHOJDYUKE-PWHKKFIBSA-N -1 2 432.428 4.310 1 30 IIEFLM