pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.86	Baltruschat ChEMBL	0	-1	CCOC(=O)C[C@@H](C(=O)[O-])n1cc[nH+]c1	CCOC(=O)C[C@@H](C(=O)[O-])n1ccnc1	mol18492	CCOC(=O)CC(C(=O)O)n1ccnc1