pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	Datawarrior	0	-1	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)[O-]	NCC(=O)N[C@@H](CC(N)=O)C(=O)[O-]	mol13705	NCC(=O)NC(CC(N)=O)C(=O)O
2.93	Datawarrior	1	0	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)O	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)[O-]	mol13705	NCC(=O)NC(CC(N)=O)C(=O)O
2.9300001	OCHEM	1	0	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)O	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)[O-]	mol13705	NCC(=O)NC(CC(N)=O)C(=O)O
2.94000005722046	QSARToolbox	1	0	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)O	NC(=O)C[C@H](NC(=O)C[NH3+])C(=O)[O-]	mol13705	NCC(=O)NC(CC(N)=O)C(=O)O