pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.08	IUPAC digitized pKa	0	-1	Oc1c(C(F)(F)F)ccc2cccnc12	[O-]c1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12
9.1	OCHEM	0	-1	Oc1c(C(F)(F)F)ccc2cccnc12	[O-]c1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12
9.80000019073486	QSARToolbox	0	-1	Oc1c(C(F)(F)F)ccc2cccnc12	[O-]c1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12
2.4	IUPAC digitized pKa	1	0	Oc1c(C(F)(F)F)ccc2ccc[nH+]c12	Oc1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12
2.40000009536743	QSARToolbox	1	0	Oc1c(C(F)(F)F)ccc2ccc[nH+]c12	Oc1c(C(F)(F)F)ccc2cccnc12	mol2155	Oc1c(C(F)(F)F)ccc2cccnc12