pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	Baltruschat ChEMBL	1	0	CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3ccc[nH+]c3)c(Cl)c1Cl)C2	CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3cccnc3)c(Cl)c1Cl)C2	mol18729	CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3cccnc3)c(Cl)c1Cl)C2