pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.56	IUPAC digitized pKa	0	-1	Oc1c(Br)cc(Br)c2cccnc12	[O-]c1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
7.3	Datawarrior	0	-1	Oc1c(Br)cc(Br)c2cccnc12	[O-]c1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
7.3000002	OCHEM	0	-1	Oc1c(Br)cc(Br)c2cccnc12	[O-]c1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
7.30000019073486	QSARToolbox	0	-1	Oc1c(Br)cc(Br)c2cccnc12	[O-]c1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
5.84	IUPAC digitized pKa	1	0	Oc1c(Br)cc(Br)c2ccc[nH+]c12	Oc1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
2.6	Datawarrior	1	0	Oc1c(Br)cc(Br)c2ccc[nH+]c12	Oc1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
2.5999999	OCHEM	1	0	Oc1c(Br)cc(Br)c2ccc[nH+]c12	Oc1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12
2.59999990463257	QSARToolbox	1	0	Oc1c(Br)cc(Br)c2ccc[nH+]c12	Oc1c(Br)cc(Br)c2cccnc12	mol7735	Oc1c(Br)cc(Br)c2cccnc12