pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69	IUPAC digitized pKa	0	-1	Nc1cc(O)nc(O)n1	Nc1cc(O)nc([O-])n1,Nc1cc([O-])nc(O)n1	mol7035	Nc1cc(O)nc(O)n1
8.61999988555908	QSARToolbox	0	-1	Nc1cc(O)nc(O)n1	Nc1cc(O)nc([O-])n1,Nc1cc([O-])nc(O)n1	mol7035	Nc1cc(O)nc(O)n1
8.6899995803833	QSARToolbox	0	-1	Nc1cc(O)nc(O)n1	Nc1cc(O)nc([O-])n1,Nc1cc([O-])nc(O)n1	mol7035	Nc1cc(O)nc(O)n1
0.0	IUPAC digitized pKa	1	0	Nc1cc(O)[nH+]c(O)n1,Nc1cc(O)nc(O)[nH+]1,[NH3+]c1cc(O)nc(O)n1	Nc1cc(O)nc(O)n1	mol7035	Nc1cc(O)nc(O)n1
15.32	IUPAC digitized pKa	-1	-2	Nc1cc(O)nc([O-])n1,Nc1cc([O-])nc(O)n1	Nc1cc([O-])nc([O-])n1	mol7035	Nc1cc(O)nc(O)n1
15.3199996948242	QSARToolbox	-1	-2	Nc1cc(O)nc([O-])n1,Nc1cc([O-])nc(O)n1	Nc1cc([O-])nc([O-])n1	mol7035	Nc1cc(O)nc(O)n1