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](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000031156160 569602447 /nfs/dbraw/zinc/60/24/47/569602447.db2.gz AKENCGNASJPQNR-LNNZMUSMSA-N -3 2 490.417 0.326 10 0 biogenic JCAELL