smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1c2ccc(S(=O)(=O)[N-]c3ccc([O-])c4ccccc34)c3cccc(c23)C1=O ZINC000008870447 571130278 /nfs/dbraw/zinc/13/02/78/571130278.db2.gz WSECUMMJSJEJAF-UHFFFAOYSA-N -2 3 418.474 4.480 10 10 HICEHL