pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Baltruschat ChEMBL	1	0	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)N[NH+](C)C)c(Cl)c1Cl)C2	CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)NN(C)C)c(Cl)c1Cl)C2	mol18728	CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NN(C)C)c(Cl)c1Cl)C2