pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21000003814697	QSARToolbox	0	-1	[NH3+][C@H](CCCC(=O)O)C(=O)[O-]	[NH3+][C@H](CCCC(=O)[O-])C(=O)[O-]	mol8448	NC(CCCC(=O)O)C(=O)O
2.14000010490417	QSARToolbox	1	0	[NH3+][C@H](CCCC(=O)O)C(=O)O	[NH3+][C@H](CCCC(=O)O)C(=O)[O-]	mol8448	NC(CCCC(=O)O)C(=O)O
9.73	IUPAC digitized pKa	-1	-2	[NH3+][C@H](CCCC(=O)[O-])C(=O)[O-]	N[C@H](CCCC(=O)[O-])C(=O)[O-]	mol8448	NC(CCCC(=O)O)C(=O)O