pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.73	AttenGpKa training set	0	-1	CN(C)C(O)O	CN(C)C([O-])O,C[NH+](C)C([O-])[O-]	mol31088	CN(C)C(O)O
8.87	AttenGpKa training set	1	0	C[NH+](C)C(O)O	CN(C)C(O)O	mol31088	CN(C)C(O)O