pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	IUPAC digitized pKa	0	-1	Oc1cc(C(F)(F)F)cc2cccnc12	[O-]c1cc(C(F)(F)F)cc2cccnc12	mol2468	Oc1cc(C(F)(F)F)cc2cccnc12
2.6	IUPAC digitized pKa	1	0	Oc1cc(C(F)(F)F)cc2ccc[nH+]c12	Oc1cc(C(F)(F)F)cc2cccnc12	mol2468	Oc1cc(C(F)(F)F)cc2cccnc12
2.59999990463257	QSARToolbox	1	0	Oc1cc(C(F)(F)F)cc2ccc[nH+]c12	Oc1cc(C(F)(F)F)cc2cccnc12	mol2468	Oc1cc(C(F)(F)F)cc2cccnc12
1.10000002384186	QSARToolbox	1	0	Oc1cc(C(F)(F)F)cc2ccc[nH+]c12	Oc1cc(C(F)(F)F)cc2cccnc12	mol2468	Oc1cc(C(F)(F)F)cc2cccnc12