pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.46	IUPAC digitized pKa	0	-1	CC(C)Oc1nc(N)nc2nc(O)c(O)nc12	CC(C)Oc1nc(N)nc2nc(O)c([O-])nc12,CC(C)Oc1nc(N)nc2nc([O-])c(O)nc12	mol8071	CC(C)Oc1nc(N)nc2nc(O)c(O)nc12
0.82	IUPAC digitized pKa	1	0	CC(C)Oc1nc([NH3+])nc2nc(O)c(O)nc12,CC(C)Oc1nc(N)[nH+]c2nc(O)c(O)nc12,CC(C)Oc1[nH+]c(N)nc2nc(O)c(O)nc12	CC(C)Oc1nc(N)nc2nc(O)c(O)nc12	mol8071	CC(C)Oc1nc(N)nc2nc(O)c(O)nc12
12.2	IUPAC digitized pKa	-1	-2	CC(C)Oc1nc(N)nc2nc(O)c([O-])nc12,CC(C)Oc1nc(N)nc2nc([O-])c(O)nc12	CC(C)Oc1nc(N)nc2nc([O-])c([O-])nc12	mol8071	CC(C)Oc1nc(N)nc2nc(O)c(O)nc12