smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cc(Sc2ccccc2)c([O-])c2ccccc12)c1cccs1 ZINC000002685413 557740131 /nfs/dbraw/zinc/74/01/31/557740131.db2.gz ANWROCYWIBTMKJ-UHFFFAOYSA-N -2 1 413.545 5.559 50 10 HKCAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccccc3)cc2)ccc1Cl ZINC000008834309 571123083 /nfs/dbraw/zinc/12/30/83/571123083.db2.gz CRDDTRAWDMHSCU-QURGRASLSA-N -2 1 415.858 5.254 50 10 HKCAML