pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	AttenGpKa training set	0	-1	CC(C)=NOCC(=O)O,CC(C)=[NH+]OCC(=O)[O-]	CC(C)=NOCC(=O)[O-]	mol22249	CC(C)=NOCC(=O)O