pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	IUPAC digitized pKa	0	-1	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	NCC[C@@H](N)C(=O)[O-]	mol5344	NCCC(N)C(=O)O
10.44	IUPAC digitized pKa	0	-1	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	NCC[C@@H](N)C(=O)[O-]	mol5344	NCCC(N)C(=O)O
10.4399995803833	QSARToolbox	0	-1	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	NCC[C@@H](N)C(=O)[O-]	mol5344	NCCC(N)C(=O)O
8.28	IUPAC digitized pKa	1	0	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O
8.24	IUPAC digitized pKa	1	0	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O
8.23999977111816	QSARToolbox	1	0	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	NCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CC[NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O
1.85	IUPAC digitized pKa	2	1	[NH3+]CC[C@@H]([NH3+])C(=O)O	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O
4.0	OCHEM	2	1	[NH3+]CC[C@@H]([NH3+])C(=O)O	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O
1.85000002384186	QSARToolbox	2	1	[NH3+]CC[C@@H]([NH3+])C(=O)O	[NH3+]CC[C@@H]([NH3+])C(=O)[O-]	mol5344	NCCC(N)C(=O)O