pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	IUPAC digitized pKa	0	-1	Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1	Nc1nc(=O)c2[n-]c(=O)c(=O)[nH]c2[nH]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[n-]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[n-]c2[nH]1	mol9649	Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1
9.78	IUPAC digitized pKa	-1	-2	Nc1nc(=O)c2[n-]c(=O)c(=O)[nH]c2[nH]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[n-]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[n-]c2[nH]1	Nc1nc(=O)c2[n-]c(=O)c(=O)[nH]c2[n-]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[n-]c2[n-]1,Nc1nc(=O)c2[n-]c(=O)c(=O)[n-]c2[nH]1	mol9649	Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1
13.6	IUPAC digitized pKa	-2	-3	Nc1nc(=O)c2[n-]c(=O)c(=O)[nH]c2[n-]1,Nc1nc(=O)c2[nH]c(=O)c(=O)[n-]c2[n-]1,Nc1nc(=O)c2[n-]c(=O)c(=O)[n-]c2[nH]1	Nc1nc(=O)c2[n-]c(=O)c(=O)[n-]c2[n-]1	mol9649	Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1