pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81	IUPAC digitized pKa	0	-1	CN(C)c1nc(N)c2ncc(=O)[nH]c2n1	CN(C)c1nc(N)c2ncc(=O)[n-]c2n1	mol8078	CN(C)c1nc(N)c2ncc(=O)[nH]c2n1
2.57	IUPAC digitized pKa	1	0	CN(C)c1nc(N)c2ncc(=O)[nH]c2[nH+]1,CN(C)c1nc([NH3+])c2ncc(=O)[nH]c2n1,CN(C)c1nc2[nH]c(=O)cnc2c(N)[nH+]1,C[NH+](C)c1nc(N)c2ncc(=O)[nH]c2n1,CN(C)c1nc(N)c2[nH+]cc(=O)[nH]c2n1	CN(C)c1nc(N)c2ncc(=O)[nH]c2n1	mol8078	CN(C)c1nc(N)c2ncc(=O)[nH]c2n1