pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	OCHEM	2	1	[NH+]#C/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,N#C/[NH+]=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	N#C/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,N#C/N=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	mol32067	N#C/N=C/Nc1ccc(-c2c[nH]cn2)cc1