pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Baltruschat ChEMBL	0	-1	C[C@@]1(C2CCCC2)Cc2cc(OC/C=C/CC(=O)O)c(Cl)c(Cl)c2C1=O	C[C@@]1(C2CCCC2)Cc2cc(OC/C=C/CC(=O)[O-])c(Cl)c(Cl)c2C1=O	mol18217	CC1(C2CCCC2)Cc2cc(OC/C=C/CC(=O)O)c(Cl)c(Cl)c2C1=O
