smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c2c(=O)c3cccc([O-])c3c(=O)c2c([O-])c2c(=O)c3c([O-])cccc3c(=O)c12 ZINC000095099267 291195875 /nfs/dbraw/zinc/19/58/75/291195875.db2.gz PCWFPMDNNIKYSJ-UHFFFAOYSA-N -3 1 416.341 1.741 1 5 biogenic,in-vitro HDBFML