smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccc(O)cc2C3=O)[C@H](O)[C@H](O)[C@H]1O ZINC000085541269 291420618 /nfs/dbraw/zinc/42/06/18/291420618.db2.gz NZFWKPNBKZRWCW-UGWJNKPKSA-N 0 1 474.418 -0.069 1 10 biogenic,in-vitro JBCFMN CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c(O)c2C)C(=O)c2ccc(O)cc2C3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095919176 291420605 /nfs/dbraw/zinc/42/06/05/291420605.db2.gz NZFWKPNBKZRWCW-PZTYSZJPSA-N 0 1 474.418 -0.069 1 10 biogenic,in-vitro JBCFMN