smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCCO[P@](=O)([O-])O ZINC000059617334 571135277 /nfs/dbraw/zinc/13/52/77/571135277.db2.gz UHGIMQLJWRAPLT-UHFFFAOYSA-N -1 2 350.480 6.357 40 30 FKEBLM CCCCCCCCCCCCCCCCCCO[P@@](=O)([O-])O ZINC000059617334 571135276 /nfs/dbraw/zinc/13/52/76/571135276.db2.gz UHGIMQLJWRAPLT-UHFFFAOYSA-N -1 2 350.480 6.357 40 30 FKEBLM CCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(=O)O ZINC000095670575 570470525 /nfs/dbraw/zinc/47/05/25/570470525.db2.gz WMUFHDYXFASDAE-UHFFFAOYSA-N -1 2 356.547 6.423 40 30 FKEBLM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccccc2S)cc1 ZINC000408854993 263501697 /nfs/dbraw/zinc/50/16/97/263501697.db2.gz BRFAPNVQQPGSSY-LPYMAVHISA-N -1 2 363.438 5.003 40 30 FKEBLM