pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.48	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.42	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.55	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.8	OCHEM	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.42000007629395	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.51000022888184	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
6.48000001907349	QSARToolbox	0	-1	O=C([O-])C[NH2+]CC[NH2+]CC(=O)[O-]	O=C([O-])CNCC[NH2+]CC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.57	IUPAC digitized pKa	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.46	IUPAC digitized pKa	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.62	IUPAC digitized pKa	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.16	OCHEM	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.46000003814697	QSARToolbox	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O
9.56999969482422	QSARToolbox	-1	-2	O=C([O-])CNCC[NH2+]CC(=O)[O-]	O=C([O-])CNCCNCC(=O)[O-]	mol9817	O=C(O)CNCCNCC(=O)O