pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	0	-1	CN(C)C(=O)c1ncnc2nc[nH]c12	CN(C)C(=O)c1ncnc2nc[n-]c12	mol4878	CN(C)C(=O)c1ncnc2nc[nH]c12
7.9000001	OCHEM	0	-1	CN(C)C(=O)c1ncnc2nc[nH]c12	CN(C)C(=O)c1ncnc2nc[n-]c12	mol4878	CN(C)C(=O)c1ncnc2nc[nH]c12
0.0	IUPAC digitized pKa	2	1	CN(C)C(=O)c1nc[nH+]c2[nH+]c[nH]c12,CN(C)C(=O)c1[nH+]c[nH+]c2nc[nH]c12,CN(C)C(=O)c1[nH+]cnc2[nH+]c[nH]c12	CN(C)C(=O)c1[nH+]cnc2nc[nH]c12,CN(C)C(=O)c1ncnc2[nH+]c[nH]c12,CN(C)C(=O)c1nc[nH+]c2nc[nH]c12	mol4878	CN(C)C(=O)c1ncnc2nc[nH]c12