smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c([O-])c(O)c2oc3c(O)ccc(O)c3c(=O)c2c1CC=C(C)C ZINC000014727662 207026760 /nfs/dbraw/zinc/02/67/60/207026760.db2.gz SHZLJVCQGYKZLS-UHFFFAOYSA-N -2 1 396.439 4.786 40 10 biogenic,in-vitro GJCBML