pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.24	Datawarrior	0	-1	O=C(O)C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)O)CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
3.23	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)O)CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
3.53	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)O)CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
3.23000001907349	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)O)CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
6.08	Datawarrior	-1	-2	O=C([O-])C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)[O-])CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
6.07999992370606	QSARToolbox	-1	-2	O=C([O-])C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)[O-])CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1
4.80000019073486	QSARToolbox	-1	-2	O=C([O-])C1(C(=O)O)CCCC1	O=C([O-])C1(C(=O)[O-])CCCC1	mol14091	O=C(O)C1(C(=O)O)CCCC1