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([O-])c1cc(O)c(O)c(CCO)c1 95911406 560058251 /nfs/dbraw/zinc/05/82/51/560058251.db2.gz LVMCCGNRGCWDBI-UHFFFAOYSA-N -1 0 198.174 0.331 1 10 biogenic,in-vitro ACCFRM