pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	Baltruschat ChEMBL	1	0	CCOC(=O)CC(CC(=O)OCC)n1cc[nH+]c1	CCOC(=O)CC(CC(=O)OCC)n1ccnc1	mol18495	CCOC(=O)CC(CC(=O)OCC)n1ccnc1