pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	Baltruschat ChEMBL	1	0	[NH3+]c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O,Nc1nc[nH+]c2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1[nH+]cn2[C@@H]1O[C@H](CO[P@@](=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O,Nc1[nH+]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O	[NH3+]c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O,Nc1[nH+]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O	mol20569	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O