smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2cc(O)c(O)c(O)c2O)oc2cc(O)ccc12 ZINC000006567222 560206139 /nfs/dbraw/zinc/20/61/39/560206139.db2.gz LDAGXWNIKJJGNC-UHFFFAOYSA-N -2 2 302.238 1.988 10 10 in-vitro DDCELL