pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.6899995803833	QSARToolbox	-1	-2	CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[O-],CO[C@H]1[C@@H]([O-])[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO,CO[C@H]1[C@@H](O)[C@H](n2cnc3c([NH-])ncnc32)O[C@@H]1CO	CO[C@H]1[C@@H](O)[C@H](n2cnc3c([NH-])ncnc32)O[C@@H]1C[O-],CO[C@H]1[C@@H]([O-])[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C[O-],CO[C@H]1[C@@H]([O-])[C@H](n2cnc3c([NH-])ncnc32)O[C@@H]1CO	mol36684	CO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO