smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(=O)c2c(O)cc(O)cc2oc1-c1cc(O)c(O)c(CC=C(C)C)c1 ZINC000005430825 291132426 /nfs/dbraw/zinc/13/24/26/291132426.db2.gz VCKYLOIMXUHPDA-UHFFFAOYSA-N -2 2 384.384 3.800 1 10 endogenous,in-man GHCFLL