smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCCC[P@](=O)([O-])O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)[O-])ccc3c2c1 ZINC000113252838 562826404 /nfs/dbraw/zinc/82/64/04/562826404.db2.gz SYZAYODKOIQUIP-UHFFFAOYSA-N -2 1 523.526 4.423 1 5 KIBFML