pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	CC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1,CCN1CC[NH+](c2nc(C)nc3sc(-c4ccccc4)cc23)CC1	CCN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1	mol16261	CCN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1