pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.40000009536743	QSARToolbox	1	0	[NH3+][NH+](CC(=O)[O-])CC(=O)O	[NH3+][NH+](CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O
3.11999988555908	QSARToolbox	1	0	[NH3+][NH+](CC(=O)[O-])CC(=O)O	[NH3+][NH+](CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O
2.4	AttenGpKa training set	1	0	[NH3+][NH+](CC(=O)[O-])CC(=O)O	[NH3+][NH+](CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O
3.07	AttenGpKa training set	1	0	[NH3+][NH+](CC(=O)[O-])CC(=O)O	[NH3+][NH+](CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O
7.32000017166138	QSARToolbox	-1	-2	[NH3+]N(CC(=O)[O-])CC(=O)[O-],N[NH+](CC(=O)[O-])CC(=O)[O-]	NN(CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O
7.23	AttenGpKa training set	-1	-2	[NH3+]N(CC(=O)[O-])CC(=O)[O-],N[NH+](CC(=O)[O-])CC(=O)[O-]	NN(CC(=O)[O-])CC(=O)[O-]	mol29399	NN(CC(=O)O)CC(=O)O