pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	Datawarrior	1	0	CC[NH+](CC)[C@H](C)O	CCN(CC)[C@H](C)O	mol12500	CCN(CC)C(C)O
10.0699996948242	QSARToolbox	1	0	CC[NH+](CC)[C@H](C)O	CCN(CC)[C@H](C)O	mol12500	CCN(CC)C(C)O
10.1999998092651	QSARToolbox	1	0	CC[NH+](CC)[C@H](C)O	CCN(CC)[C@H](C)O	mol12500	CCN(CC)C(C)O