pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94000005722046	QSARToolbox	0	-1	Nc1nc[nH+]c2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])O)[C@H](O)[C@@H]1O,Nc1[nH+]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])O)[C@H](O)[C@@H]1O,[NH3+]c1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])O)[C@H](O)[C@@H]1O	Nc1[nH+]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O,[NH3+]c1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O,Nc1nc[nH+]c2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])O)[C@H](O)[C@@H]1O	mol35721	Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O