pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.01	AttenGpKa training set	0	-1	C[NH2+][C@@H](CC(N)=O)C(=O)[O-]	CN[C@@H](CC(N)=O)C(=O)[O-]	mol29320	CNC(CC(N)=O)C(=O)O
1.9	AttenGpKa training set	2	1	CN[C@@H](CC(N)=[OH+])C(O)=[OH+],C[NH2+][C@@H](CC(N)=[OH+])C(=O)O,C[NH2+][C@@H](CC(N)=O)C(O)=[OH+]	C[NH2+][C@@H](CC(N)=O)C(=O)O	mol29320	CNC(CC(N)=O)C(=O)O