pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	OCHEM	1	0	Nc1ccc(-c2cccc[nH+]2)cc1,[NH3+]c1ccc(-c2ccccn2)cc1	Nc1ccc(-c2ccccn2)cc1	mol3617	Nc1ccc(-c2ccccn2)cc1
2.47	AttenGpKa training set	2	1	[NH3+]c1ccc(-c2cccc[nH+]2)cc1	Nc1ccc(-c2cccc[nH+]2)cc1,[NH3+]c1ccc(-c2ccccn2)cc1	mol3617	Nc1ccc(-c2ccccn2)cc1