pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	IUPAC digitized pKa	0	-1	CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)O	CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-]	mol11428	CC(C)(C)CCN(CC(=O)O)CC(=O)O
2.40000009536743	QSARToolbox	0	-1	CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)O	CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-]	mol11428	CC(C)(C)CCN(CC(=O)O)CC(=O)O
10.24	IUPAC digitized pKa	-1	-2	CC(C)(C)CC[NH+](CC(=O)[O-])CC(=O)[O-]	CC(C)(C)CCN(CC(=O)[O-])CC(=O)[O-]	mol11428	CC(C)(C)CCN(CC(=O)O)CC(=O)O