smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2[n-]c(=O)c3nc4cc(Cl)ccc4c([O-])c3c2=O)c(C)c1 ZINC000000600487 206308225 /nfs/dbraw/zinc/30/82/25/206308225.db2.gz PSTDMIAVUUYOOQ-UHFFFAOYSA-N -2 3 383.791 2.903 10 5 in-vitro GFBEHL