smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc3c(O)ccc([O-])c3c([O-])c1-2 ZINC000096111569 560061249 /nfs/dbraw/zinc/06/12/49/560061249.db2.gz IOJCAEBIAPRCCI-FJMCMGCSSA-N -2 3 422.342 -0.758 40 5 biogenic,in-vitro HBBBHL O=c1ccc(O)c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])c3c([O-])c1-2 ZINC000096111569 560061248 /nfs/dbraw/zinc/06/12/48/560061248.db2.gz IOJCAEBIAPRCCI-FJMCMGCSSA-N -2 3 422.342 -0.758 40 5 biogenic,in-vitro HBBBHL