pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	0	-1	NCC(=O)NO,[NH3+]CC(=O)N[O-]	NCC(=O)N[O-]	mol8958	NCC(=O)NO
9.32	AttenGpKa training set	0	-1	NCC(=O)NO,[NH3+]CC(=O)N[O-]	NCC(=O)N[O-]	mol8958	NCC(=O)NO
7.35	IUPAC digitized pKa	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.7	IUPAC digitized pKa	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.4	IUPAC digitized pKa	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.34999990463257	QSARToolbox	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.40000009536743	QSARToolbox	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.80000019073486	QSARToolbox	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.80999994277954	QSARToolbox	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO
7.71000003814697	QSARToolbox	1	0	[NH3+]CC(=O)NO	NCC(=O)NO,[NH3+]CC(=O)N[O-]	mol8958	NCC(=O)NO