pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17	Datawarrior	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.15	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.1700001	OCHEM	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.15000009536743	QSARToolbox	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.17999982833862	QSARToolbox	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.05000019073486	QSARToolbox	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.19999980926514	QSARToolbox	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1
7.175	AttenGpKa training set	0	-1	O=S(=O)([O-])CCC[NH+]1CCOCC1	O=S(=O)([O-])CCCN1CCOCC1	mol13918	O=S(=O)(O)CCCN1CCOCC1