pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.73	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.59	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.44	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.66	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.33	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.0	IUPAC digitized pKa	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.64	Datawarrior	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.63	OCHEM	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.6399999	OCHEM	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.51000022888184	QSARToolbox	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.80000019073486	QSARToolbox	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.65999984741211	QSARToolbox	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.59000015258789	QSARToolbox	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.65000009536743	QSARToolbox	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN
7.75	AttenGpKa training set	1	0	COC(=O)C[NH3+]	COC(=O)CN	mol1797	COC(=O)CN