pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.5	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.55	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.65	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
3.01	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.84	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.98000001907349	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.65000009536743	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.53999996185303	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.59999990463257	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
2.32	OCHEM	1	0	O=C(O)C[NH2+]CC(=O)O	O=C([O-])C[NH2+]CC(=O)O	mol9215	O=C(O)CNCC(=O)O
9.89	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.4	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.38	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.45	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.44	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.6	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
10.7	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.42	OCHEM	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.38000011444092	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.11999988555908	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.46000003814697	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.89000034332275	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.39999961853027	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O
9.05000019073486	QSARToolbox	-1	-2	O=C([O-])C[NH2+]CC(=O)[O-]	O=C([O-])CNCC(=O)[O-]	mol9215	O=C(O)CNCC(=O)O