pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	-3	-4	Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)([O-])C[As](=O)([O-])[O-])[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])C[As](=O)([O-])O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)C[As](=O)([O-])[O-])[C@@H](O)[C@H]1O	Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])C[As](=O)([O-])[O-])[C@@H](O)[C@H]1O	mol18550	Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)C[As](=O)(O)O)[C@@H](O)[C@H]1O