pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.26	OCHEM	0	-1	COC(=O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33070	COC(=O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
4.26000022888184	QSARToolbox	0	-1	COC(=O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33070	COC(=O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1