pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57	IUPAC digitized pKa	0	-1	O=C([O-])C#CC[NH+]1CCOCC1	O=C([O-])C#CCN1CCOCC1	mol8560	O=C(O)C#CCN1CCOCC1
5.5700002	OCHEM	0	-1	O=C([O-])C#CC[NH+]1CCOCC1	O=C([O-])C#CCN1CCOCC1	mol8560	O=C(O)C#CCN1CCOCC1
1.79	IUPAC digitized pKa	1	0	O=C(O)C#CC[NH+]1CCOCC1	O=C([O-])C#CC[NH+]1CCOCC1	mol8560	O=C(O)C#CCN1CCOCC1
1.78999996185303	QSARToolbox	1	0	O=C(O)C#CC[NH+]1CCOCC1	O=C([O-])C#CC[NH+]1CCOCC1	mol8560	O=C(O)C#CCN1CCOCC1