pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	IUPAC digitized pKa	0	-1	CCOC(=O)CCC(=O)[C@H](N)C(=O)OCC	CCOC(=O)CCC(=O)[C-](N)C(=O)OCC,CCOC(=O)C[CH-]C(=O)[C@H](N)C(=O)OCC	mol5297	CCOC(=O)CCC(=O)C(N)C(=O)OCC
5.82	IUPAC digitized pKa	1	0	CCOC(=O)CCC(=O)[C@H]([NH3+])C(=O)OCC	CCOC(=O)CCC(=O)[C@H](N)C(=O)OCC	mol5297	CCOC(=O)CCC(=O)C(N)C(=O)OCC
5.82000017166138	QSARToolbox	1	0	CCOC(=O)CCC(=O)[C@H]([NH3+])C(=O)OCC	CCOC(=O)CCC(=O)[C@H](N)C(=O)OCC	mol5297	CCOC(=O)CCC(=O)C(N)C(=O)OCC