pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.09999990463257	QSARToolbox	-1	-2	O=C([O-])C[NH+](CCCCOCCCC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)[O-],O=C([O-])C[NH+](CCCCOCCCCN(CC(=O)O)CC(=O)O)CC(=O)[O-]	O=C([O-])C[NH+](CCCCOCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	mol36143	O=C(O)CN(CCCCOCCCCN(CC(=O)O)CC(=O)O)CC(=O)O