pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36	IUPAC digitized pKa	0	-1	COc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C,COc1nc([NH3+])nc2c1nc(C(=O)[O-])c(=O)n2C	COc1nc(N)nc2c1nc(C(=O)[O-])c(=O)n2C	mol8039	COc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C
-0.4	IUPAC digitized pKa	1	0	COc1nc(N)nc2c1[nH+]c(C(=O)O)c(=O)n2C,COc1[nH+]c(N)nc2c1nc(C(=O)O)c(=O)n2C,COc1nc([NH3+])nc2c1nc(C(=O)O)c(=O)n2C,COc1nc(N)[nH+]c2c1nc(C(=O)O)c(=O)n2C	COc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C,COc1nc([NH3+])nc2c1nc(C(=O)[O-])c(=O)n2C	mol8039	COc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C