pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Baltruschat ChEMBL	0	-1	C=C[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2	C=C[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)[O-])c(Cl)c1Cl)C2	mol18735	C=CC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2