pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.67000007629395	QSARToolbox	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-]	mol29440	NCC(=O)N[C@H](CC(N)=O)C(=O)O
8.39	AttenGpKa training set	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-]	mol29440	NCC(=O)N[C@H](CC(N)=O)C(=O)O