smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)C[C@H]1CCC[N@@H+]1C3 ZINC000014824781 221317923 /nfs/dbraw/zinc/31/79/23/221317923.db2.gz SSEUDFYBEOIWGF-CQSZACIVSA-N 1 1 393.483 4.548 10 5 biogenic,in-vitro GJBEMO