pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.17	OCHEM	0	-1	CC(C)CCOc1cc([NH3+])ccc1C(=O)[O-],CC(C)CCOc1cc(N)ccc1C(=O)O	CC(C)CCOc1cc(N)ccc1C(=O)[O-]	mol20539	CC(C)CCOc1cc(N)ccc1C(=O)O