pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	AttenGpKa training set	0	-1	[NH3+]OCCCC(=O)[O-],NOCCCC(=O)O	NOCCCC(=O)[O-]	mol22224	NOCCCC(=O)O
3.83	AttenGpKa training set	1	0	[NH3+]OCCCC(=O)O	[NH3+]OCCCC(=O)[O-],NOCCCC(=O)O	mol22224	NOCCCC(=O)O