smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([O-])c2c([O-])c3c(=O)cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c-3oc12 ZINC000070455163 560047430 /nfs/dbraw/zinc/04/74/30/560047430.db2.gz WPGQLVFNDMDIEY-ZOQRCFIZSA-N -2 3 464.423 0.217 1 5 biogenic,in-vitro JCBFHL COc1ccc(=O)c2c([O-])c3c([O-])cc(O[C@@H]4C[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3oc1-2 ZINC000070455163 560047429 /nfs/dbraw/zinc/04/74/29/560047429.db2.gz WPGQLVFNDMDIEY-ZOQRCFIZSA-N -2 3 464.423 0.217 1 5 biogenic,in-vitro JCBFHL