pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.38	AttenGpKa training set	0	-1	Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[O-],Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([O-])[C@H]1O,[NH-]c1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Nc1nccc2c1ncn2[C@@H]1O[C@H](C[O-])[C@@H](O)[C@H]1O	mol29704	Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O