pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.98	AttenGpKa training set	1	0	[NH3+]c1ccc([C@]23CCC[C@H]2C3)cc1	Nc1ccc([C@]23CCC[C@H]2C3)cc1	mol5994	Nc1ccc(C23CCCC2C3)cc1