pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Novartis	1	0	COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2	mol2866	COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2