pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.28	AttenGpKa training set	1	0	CCN(CC)c1ccc([NH+](CC)CC)cc1	CCN(CC)c1ccc(N(CC)CC)cc1	mol23945	CCN(CC)c1ccc(N(CC)CC)cc1
3.75	AttenGpKa training set	2	1	CC[NH+](CC)c1ccc([NH+](CC)CC)cc1	CCN(CC)c1ccc([NH+](CC)CC)cc1	mol23945	CCN(CC)c1ccc(N(CC)CC)cc1