pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.12	OCHEM	1	0	FCC/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,FCC/N=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	FCC/N=C/Nc1ccc(-c2c[nH]cn2)cc1	mol32066	FCC/N=C/Nc1ccc(-c2c[nH]cn2)cc1
5.55	OCHEM	2	1	FCC/[NH+]=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	FCC/[NH+]=C/Nc1ccc(-c2c[nH]cn2)cc1,FCC/N=C/Nc1ccc(-c2c[nH]c[nH+]2)cc1	mol32066	FCC/N=C/Nc1ccc(-c2c[nH]cn2)cc1