pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6000003814697	QSARToolbox	-1	-2	O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCOCCOCC1	O=C([O-])CN1CCCN(CC(=O)[O-])CCOCCOCC1	mol38317	O=C(O)CN1CCCN(CC(=O)O)CCOCCOCC1