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(CC=C(C)C)c2oc3c([O-])cccc3c(=O)c2c1O ZINC000005849312 574412596 /nfs/dbraw/zinc/41/25/96/574412596.db2.gz GVQOVMKBYJKZSY-UHFFFAOYSA-N -2 3 380.440 5.080 40 5 endogenous,in-man GKBBHL