smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)c2ccco2)OCCO3)cc1 ZINC000004244694 204034346 /nfs/dbraw/zinc/03/43/46/204034346.db2.gz KHZRTZTUVMUUCA-UHFFFAOYSA-N -1 0 399.424 3.391 30 10 GGCCRM