pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0699996948242	QSARToolbox	1	0	C[NH+](C)C12CCN(CC1)CC2,CN(C)C12CC[NH+](CC1)CC2	CN(C)C12CCN(CC1)CC2	mol24548	CN(C)C12CCN(CC1)CC2
10.15	AttenGpKa training set	1	0	C[NH+](C)C12CCN(CC1)CC2,CN(C)C12CC[NH+](CC1)CC2	CN(C)C12CCN(CC1)CC2	mol24548	CN(C)C12CCN(CC1)CC2
6.41	AttenGpKa training set	2	1	C[NH+](C)C12CC[NH+](CC1)CC2	C[NH+](C)C12CCN(CC1)CC2,CN(C)C12CC[NH+](CC1)CC2	mol24548	CN(C)C12CCN(CC1)CC2