smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OC[C@H]1O[C@@H](OC[C@@H]2CCOC2=O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc([O-])c(O)c1 ZINC000070455211 291160370 /nfs/dbraw/zinc/16/03/70/291160370.db2.gz PMXJMCROUIPKOI-RWNMRBQOSA-N -1 3 414.363 -1.358 1 10 biogenic,in-vitro HACFHM