pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	0	-1	CCCC[C@]1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O	CCCC[C@]1(C2CCCC2)Cc2cc(OCCCC(=O)[O-])c(Cl)c(Cl)c2C1=O	mol18229	CCCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O