pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.09	IUPAC digitized pKa	0	-1	C[NH+](C)CC(=O)NCC(=O)[O-]	CN(C)CC(=O)NCC(=O)[O-]	mol5371	CN(C)CC(=O)NCC(=O)O
3.11	IUPAC digitized pKa	1	0	C[NH+](C)CC(=O)NCC(=O)O	C[NH+](C)CC(=O)NCC(=O)[O-]	mol5371	CN(C)CC(=O)NCC(=O)O
3.16000008583069	QSARToolbox	1	0	C[NH+](C)CC(=O)NCC(=O)O	C[NH+](C)CC(=O)NCC(=O)[O-]	mol5371	CN(C)CC(=O)NCC(=O)O