pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.18	AttenGpKa training set	1	0	c1ccc(C23CC[NH+](CC2)CC3)cc1	c1ccc(C23CCN(CC2)CC3)cc1	mol24604	c1ccc(C23CCN(CC2)CC3)cc1