smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)([P@](=O)([O-])CC/C=C(/C)CCC=C(C)C)[P@](=O)([O-])O ZINC000005964837 204231790 /nfs/dbraw/zinc/23/17/90/204231790.db2.gz CCPPHZCIKVRQOV-QINSGFPZSA-N -2 1 366.375 5.034 10 0 FKAEML