pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Baltruschat ChEMBL	1	0	CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1	mol20751	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1