pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	0	-1	CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)O)c(Cl)c1Cl)C2	CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)[O-])c(Cl)c1Cl)C2	mol18743	CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)O)c(Cl)c1Cl)C2