pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	O=S(=O)(CCOCCc1ccccc1)NCCC[NH2+]CCc1ccc(O)c2nc(O)sc12	O=S(=O)(CCOCCc1ccccc1)NCCC[NH2+]CCc1ccc(O)c2nc([O-])sc12,O=S(=O)(CCOCCc1ccccc1)NCCC[NH2+]CCc1ccc([O-])c2nc(O)sc12	mol31952	O=S(=O)(CCOCCc1ccccc1)NCCCNCCc1ccc(O)c2nc(O)sc12