pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.54	Datawarrior	1	0	C#CC[NH+]1CCOCC1	C#CCN1CCOCC1	mol13661	C#CCN1CCOCC1
5.53999996185303	QSARToolbox	1	0	C#CC[NH+]1CCOCC1	C#CCN1CCOCC1	mol13661	C#CCN1CCOCC1
5.6	AttenGpKa training set	1	0	C#CC[NH+]1CCOCC1	C#CCN1CCOCC1	mol13661	C#CCN1CCOCC1