pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	IUPAC digitized pKa	0	-1	Nc1cc(N)c(O)cc1O	Nc1cc(N)c(O)cc1[O-]	mol3320	Nc1cc(N)c(O)cc1O
10.1	OCHEM	0	-1	Nc1cc(N)c(O)cc1O	Nc1cc(N)c(O)cc1[O-]	mol3320	Nc1cc(N)c(O)cc1O
9.80000019073486	QSARToolbox	0	-1	Nc1cc(N)c(O)cc1O	Nc1cc(N)c(O)cc1[O-]	mol3320	Nc1cc(N)c(O)cc1O
6.0	IUPAC digitized pKa	1	0	Nc1cc([NH3+])c(O)cc1O	Nc1cc(N)c(O)cc1O	mol3320	Nc1cc(N)c(O)cc1O
5.7	OCHEM	1	0	Nc1cc([NH3+])c(O)cc1O	Nc1cc(N)c(O)cc1O	mol3320	Nc1cc(N)c(O)cc1O
3.8	IUPAC digitized pKa	2	1	[NH3+]c1cc([NH3+])c(O)cc1O	Nc1cc([NH3+])c(O)cc1O	mol3320	Nc1cc(N)c(O)cc1O
3.79999995231628	QSARToolbox	2	1	[NH3+]c1cc([NH3+])c(O)cc1O	Nc1cc([NH3+])c(O)cc1O	mol3320	Nc1cc(N)c(O)cc1O
12.0	IUPAC digitized pKa	-1	-2	Nc1cc(N)c(O)cc1[O-]	Nc1cc(N)c([O-])cc1[O-]	mol3320	Nc1cc(N)c(O)cc1O
11.7	OCHEM	-1	-2	Nc1cc(N)c(O)cc1[O-]	Nc1cc(N)c([O-])cc1[O-]	mol3320	Nc1cc(N)c(O)cc1O