pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.55	IUPAC digitized pKa	0	-1	Nc1nc(N)c2[nH]c(C(F)(F)F)nc2n1	Nc1nc(N)c2[n-]c(C(F)(F)F)nc2n1	mol4863	Nc1nc(N)c2[nH]c(C(F)(F)F)nc2n1
3.68	IUPAC digitized pKa	1	0	Nc1nc([NH3+])nc2nc(C(F)(F)F)[nH]c12,Nc1nc(N)c2[nH]c(C(F)(F)F)nc2[nH+]1,Nc1nc([NH3+])c2[nH]c(C(F)(F)F)nc2n1,Nc1nc2nc(C(F)(F)F)[nH]c2c(N)[nH+]1,Nc1nc(N)c2[nH]c(C(F)(F)F)[nH+]c2n1	Nc1nc(N)c2[nH]c(C(F)(F)F)nc2n1	mol4863	Nc1nc(N)c2[nH]c(C(F)(F)F)nc2n1