pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.02	IUPAC digitized pKa	0	-1	CN(C)c1nc(N(C)C)c2[nH]c(=O)cnc2n1	CN(C)c1nc(N(C)C)c2[n-]c(=O)cnc2n1	mol8111	CN(C)c1nc(N(C)C)c2[nH]c(=O)cnc2n1
5.1	IUPAC digitized pKa	1	0	CN(C)c1nc([NH+](C)C)nc2ncc(=O)[nH]c12,CN(C)c1nc([NH+](C)C)c2[nH]c(=O)cnc2n1,CN(C)c1nc(N(C)C)c2[nH]c(=O)c[nH+]c2n1,CN(C)c1nc(N(C)C)c2[nH]c(=O)cnc2[nH+]1,CN(C)c1nc2ncc(=O)[nH]c2c(N(C)C)[nH+]1	CN(C)c1nc(N(C)C)c2[nH]c(=O)cnc2n1	mol8111	CN(C)c1nc(N(C)C)c2[nH]c(=O)cnc2n1