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)cc2occ(-c3ccc(O)cc3O)c(O)c-2c1=O ZINC000005854353 560109778 /nfs/dbraw/zinc/10/97/78/560109778.db2.gz MMPVAPMCVABQPS-UHFFFAOYSA-N -2 2 354.358 3.791 40 0 endogenous,in-man FHABLL