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)cc2c(=O)oc3c(O)c(O[C@H]4OC[C@H](O)[C@@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000085504573 291305878 /nfs/dbraw/zinc/30/58/78/291305878.db2.gz VAXNJGHUQUHOGC-RNXJEDPASA-N 0 2 448.336 -0.272 1 5 biogenic,in-vitro IBBFLN COc1c(O)cc2c(=O)oc3c(O)c(O[C@@H]4O[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000085504578 291305882 /nfs/dbraw/zinc/30/58/82/291305882.db2.gz NKEMTKOCZMOURK-DPUOIFSFSA-N 0 2 434.309 -0.315 1 5 biogenic,in-vitro IBBFLN