pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	0	-1	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)[O-])c(Cl)c1Cl)C2	mol18723	CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)OC(C)(C)C(=O)O)c(Cl)c1Cl)C2