pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.65	Datawarrior	1	0	CN(C)c1nc[nH+]c2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,CN(C)c1ncnc2c1[nH+]cn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,CN(C)c1[nH+]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,C[NH+](C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	mol15439	CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O