pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	IUPAC digitized pKa	0	-1	Nc1nc(C(F)(F)F)c2[nH]cnc2n1	Nc1nc(C(F)(F)F)c2[n-]cnc2n1	mol4856	Nc1nc(C(F)(F)F)c2[nH]cnc2n1
8.8699999	OCHEM	0	-1	Nc1nc(C(F)(F)F)c2[nH]cnc2n1	Nc1nc(C(F)(F)F)c2[n-]cnc2n1	mol4856	Nc1nc(C(F)(F)F)c2[nH]cnc2n1
1.85	IUPAC digitized pKa	1	0	Nc1nc(C(F)(F)F)c2[nH]cnc2[nH+]1,Nc1nc2nc[nH]c2c(C(F)(F)F)[nH+]1,[NH3+]c1nc(C(F)(F)F)c2[nH]cnc2n1,Nc1nc(C(F)(F)F)c2[nH]c[nH+]c2n1	Nc1nc(C(F)(F)F)c2[nH]cnc2n1	mol4856	Nc1nc(C(F)(F)F)c2[nH]cnc2n1