smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCOP(=O)([O-])[O-] ZINC000036178978 541109214 /nfs/dbraw/zinc/10/92/14/541109214.db2.gz KRIXEEBVZRZHOS-UHFFFAOYSA-N -2 0 294.372 4.797 10 30 in-vivo CJEERL