smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc2c(O)ccc(O)c12 ZINC000096111569 560061247 /nfs/dbraw/zinc/06/12/47/560061247.db2.gz IOJCAEBIAPRCCI-FJMCMGCSSA-N -2 0 422.342 -0.758 40 5 biogenic,in-vitro HBBBRL