pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	IUPAC digitized pKa	0	-1	Oc1nc(C(F)(F)F)nc2nc[nH]c12	Oc1nc(C(F)(F)F)nc2nc[n-]c12,[O-]c1nc(C(F)(F)F)nc2nc[nH]c12	mol4891	Oc1nc(C(F)(F)F)nc2nc[nH]c12
5.0999999	OCHEM	0	-1	Oc1nc(C(F)(F)F)nc2nc[nH]c12	Oc1nc(C(F)(F)F)nc2nc[n-]c12,[O-]c1nc(C(F)(F)F)nc2nc[nH]c12	mol4891	Oc1nc(C(F)(F)F)nc2nc[nH]c12
1.1	IUPAC digitized pKa	1	0	Oc1nc(C(F)(F)F)[nH+]c2nc[nH]c12,Oc1nc(C(F)(F)F)nc2[nH+]c[nH]c12,Oc1[nH+]c(C(F)(F)F)nc2nc[nH]c12	Oc1nc(C(F)(F)F)nc2nc[nH]c12	mol4891	Oc1nc(C(F)(F)F)nc2nc[nH]c12
11.2	IUPAC digitized pKa	-1	-2	Oc1nc(C(F)(F)F)nc2nc[n-]c12,[O-]c1nc(C(F)(F)F)nc2nc[nH]c12	[O-]c1nc(C(F)(F)F)nc2nc[n-]c12	mol4891	Oc1nc(C(F)(F)F)nc2nc[nH]c12