pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3900001	OCHEM	2	1	COc1ccc([NH+]=[NH+]c2c(N)n[nH]c2N)cc1,COc1ccc(N=Nc2c([NH3+])n[nH]c2[NH3+])cc1,COc1ccc([NH+]=Nc2c(N)n[nH]c2[NH3+])cc1,COc1ccc([NH+]=Nc2c([NH3+])n[nH]c2N)cc1	COc1ccc(N=Nc2c([NH3+])n[nH]c2N)cc1,COc1ccc(N=[NH+]c2c(N)n[nH]c2N)cc1,COc1ccc(N=Nc2c(N)n[nH]c2[NH3+])cc1,COc1ccc(N=Nc2c(N)[nH][nH+]c2N)cc1	mol32579	COc1ccc(N=Nc2c(N)n[nH]c2N)cc1