pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07999992370606	QSARToolbox	-1	-2	Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)([O-])O)[C@H](O)[C@@H]1O	Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)([O-])O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O,[NH3+]c1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)(O)OP(=O)([O-])[O-])[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)([O-])[O-])[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)(O)O)[C@H](O)[C@@H]1O	mol37932	Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O