pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	AttenGpKa training set	0	-1	C[C@H](O)OON=O	C[C@H]([O-])OON=O	mol31346	CC(O)OON=O