pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.11	Baltruschat ChEMBL	1	0	Cc1ccccc1OCC[NH+]1CCN(CC(=O)Nc2nccs2)CC1,Cc1ccccc1OCCN1CC[NH+](CC(=O)Nc2nccs2)CC1	Cc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1	mol19609	Cc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1