smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C(=O)[O-] ZINC000392884742 972858604 /nfs/dbraw/zinc/85/86/04/972858604.db2.gz KMDYHTOGJFETHI-UHFFFAOYSA-N -1 2 406.243 3.597 20 10 HHCDLM