pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	COc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3OC)CC2)cc1	COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1	mol20757	COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3OC)CC2)cc1
