smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12 ZINC000096111568 560061228 /nfs/dbraw/zinc/06/12/28/560061228.db2.gz YLXVKDCXOBNAQO-SGVZLWMLSA-N -2 0 452.368 -0.750 40 5 biogenic,in-vitro JBBBRL