pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.92	Datawarrior	0	-1	O=C(O)C1(C(=O)O)CC1	O=C([O-])C1(C(=O)O)CC1	mol13548	O=C(O)C1(C(=O)O)CC1
1.82	OCHEM	0	-1	O=C(O)C1(C(=O)O)CC1	O=C([O-])C1(C(=O)O)CC1	mol13548	O=C(O)C1(C(=O)O)CC1
2.1	OCHEM	0	-1	O=C(O)C1(C(=O)O)CC1	O=C([O-])C1(C(=O)O)CC1	mol13548	O=C(O)C1(C(=O)O)CC1
1.82000005245209	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CC1	O=C([O-])C1(C(=O)O)CC1	mol13548	O=C(O)C1(C(=O)O)CC1
1.85000002384186	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CC1	O=C([O-])C1(C(=O)O)CC1	mol13548	O=C(O)C1(C(=O)O)CC1
7.31	Datawarrior	-1	-2	O=C([O-])C1(C(=O)O)CC1	O=C([O-])C1(C(=O)[O-])CC1	mol13548	O=C(O)C1(C(=O)O)CC1
7.42999982833862	QSARToolbox	-1	-2	O=C([O-])C1(C(=O)O)CC1	O=C([O-])C1(C(=O)[O-])CC1	mol13548	O=C(O)C1(C(=O)O)CC1
5.42999982833862	QSARToolbox	-1	-2	O=C([O-])C1(C(=O)O)CC1	O=C([O-])C1(C(=O)[O-])CC1	mol13548	O=C(O)C1(C(=O)O)CC1