pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	IUPAC digitized pKa	3	2	CN1C(=O)[C@H]2[NH2+][C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3[NH+]=C2N[C@H]1[NH3+]	CN1C(=O)[C@H]2[NH2+][C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3[NH+]=C2N[C@H]1N,CN1C(=O)[C@H]2[NH2+][C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3N=C2N[C@H]1[NH3+]	mol8418	CN1C(=O)C2NC3OC(CO)C(O)C(O)C3N=C2NC1N