pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.43	IUPAC digitized pKa	-1	-2	CCOC(=O)C(C(=O)OCC)[C@@H]1[N-]C(=O)Nc2nccnc21,CCOC(=O)C(C(=O)OCC)[C@@H]1NC(=O)[N-]c2nccnc21,CCOC(=O)[C-](C(=O)OCC)[C@@H]1NC(=O)Nc2nccnc21	CCOC(=O)[C-](C(=O)OCC)[C@@H]1NC(=O)[N-]c2nccnc21,CCOC(=O)[C-](C(=O)OCC)[C@@H]1[N-]C(=O)Nc2nccnc21,CCOC(=O)C(C(=O)OCC)[C@@H]1[N-]C(=O)[N-]c2nccnc21	mol11885	CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nccnc21