pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.48	IUPAC digitized pKa	0	-1	CON[C@@H]1NC(=O)Nc2nn[nH]c21	CON[C@@H]1NC(=O)Nc2nn[n-]c21	mol9411	CONC1NC(=O)Nc2nn[nH]c21
1.45	IUPAC digitized pKa	2	1	CON[C@@H]1NC(=O)Nc2[nH+][nH+][nH]c21	CON[C@@H]1NC(=O)Nc2[nH+]n[nH]c21,CO[NH2+][C@@H]1NC(=O)Nc2nn[nH]c21,CON[C@@H]1NC(=O)Nc2n[nH+][nH]c21	mol9411	CONC1NC(=O)Nc2nn[nH]c21