pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	1	0	CC1(C)C[C@@H](C[NH+]2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1	CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1	mol20507	CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1