pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.9	AttenGpKa training set	0	-1	Nc1nc(=O)ccn1[C@@H]1O[C@@H](CO)[C@H]2O[C@H]21	[NH-]c1nc(=O)ccn1[C@@H]1O[C@@H](CO)[C@H]2O[C@H]21,Nc1nc(=O)ccn1[C@@H]1O[C@@H](C[O-])[C@H]2O[C@H]21	mol29614	Nc1nc(=O)ccn1C1OC(CO)C2OC21