pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.48	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
11.01	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
11.43	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.75	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.78	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.67	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.45	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.21	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.8	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
11.387	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
11.114	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.848	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.589	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.333	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.085	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.82	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.994	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.778	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.554	IUPAC digitized pKa	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.72	OCHEM	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.9	OCHEM	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.6	OCHEM	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC
10.71	AttenGpKa training set	1	0	CC[NH+](CC)CC	CCN(CC)CC	mol197	CCN(CC)CC