pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.73	IUPAC digitized pKa	0	-1	CCOC(=O)C(C(=O)OCC)[C@H]1NC(=O)Nc2nn[nH]c21	CCOC(=O)C(C(=O)OCC)[C@H]1NC(=O)Nc2nn[n-]c21	mol11613	CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nn[nH]c21
-1.66	IUPAC digitized pKa	2	1	CCOC(=O)C(C(=O)OCC)[C@H]1NC(=O)Nc2[nH+][nH+][nH]c21	CCOC(=O)C(C(=O)OCC)[C@H]1NC(=O)Nc2n[nH+][nH]c21,CCOC(=O)C(C(=O)OCC)[C@H]1NC(=O)Nc2[nH+]n[nH]c21	mol11613	CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nn[nH]c21