pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Organic Oxygen Acids and Nitrogen Bases	1	0	OC[C@@H]1O[C@H](n2cnc3c2[NH+]=CNC[C@@H]3O)C[C@H]1O,OC[C@@H]1O[C@H](n2c[nH+]c3c2N=CNC[C@@H]3O)C[C@H]1O	OC[C@@H]1O[C@H](n2cnc3c2N=CNC[C@@H]3O)C[C@H]1O	mol21847	OCC1OC(n2cnc3c2N=CNCC3O)CC1O