pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9000001	OCHEM	1	0	Nc1[nH+]cnc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c12,[NH3+]c1ncnc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c12,Nc1nc[nH+]c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c12,Nc1ncnc2[nH+]cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c12,Nc1ncnc2ncn([C@@H]3O[C@@H](C[OH2+])[C@@H](O)[C@@H]3O)c12,Nc1ncnc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3[OH2+])c12	Nc1ncnc2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c12	mol32581	Nc1ncnc2ncn(C3OC(CO)C(O)C3O)c12