pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	CC(C)(C)[C@H](O)C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	CC(C)(C)[C@H](O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	mol20505	CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1