pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.46	IUPAC digitized pKa	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC
10.39	Datawarrior	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC
10.43	OCHEM	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC
10.5	OCHEM	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC
10.315	AttenGpKa training set	1	0	CC[NH+](C)CC	CCN(C)CC	mol187	CCN(C)CC