pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.37	Baltruschat ChEMBL	1	0	N#Cc1ccc(OCC[NH+]2CCN(CC(=O)Nc3nccs3)CC2)cc1,N#Cc1ccc(OCCN2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1	N#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1	mol19611	N#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1