pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.59999990463257	QSARToolbox	0	-1	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	CC(C)[C@H](N)C(=O)NCC(=O)[O-]	mol29434	CC(C)C(N)C(=O)NCC(=O)O
7.94	AttenGpKa training set	0	-1	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	CC(C)[C@H](N)C(=O)NCC(=O)[O-]	mol29434	CC(C)C(N)C(=O)NCC(=O)O
3.21000003814697	QSARToolbox	1	0	CC(C)[C@H]([NH3+])C(=O)NCC(=O)O	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol29434	CC(C)C(N)C(=O)NCC(=O)O
3.20000004768372	QSARToolbox	1	0	CC(C)[C@H]([NH3+])C(=O)NCC(=O)O	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol29434	CC(C)C(N)C(=O)NCC(=O)O