pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.36	IUPAC digitized pKa	0	-1	CN(C)c1nc(N)c2[nH]c(=O)cnc2n1	CN(C)c1nc(N)c2[n-]c(=O)cnc2n1	mol8077	CN(C)c1nc(N)c2[nH]c(=O)cnc2n1
4.4	IUPAC digitized pKa	1	0	CN(C)c1nc(N)c2[nH]c(=O)c[nH+]c2n1,CN(C)c1nc2ncc(=O)[nH]c2c(N)[nH+]1,CN(C)c1nc(N)c2[nH]c(=O)cnc2[nH+]1,C[NH+](C)c1nc(N)c2[nH]c(=O)cnc2n1,CN(C)c1nc([NH3+])c2[nH]c(=O)cnc2n1	CN(C)c1nc(N)c2[nH]c(=O)cnc2n1	mol8077	CN(C)c1nc(N)c2[nH]c(=O)cnc2n1