pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	0	-1	C[C@@]1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)O)cc3)c(Cl)c(Cl)c2C1=O	C[C@@]1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c(Cl)c2C1=O	mol18232	CC1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)O)cc3)c(Cl)c(Cl)c2C1=O