pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.26	IUPAC digitized pKa	1	0	CN(C)c1ccc(-c2c[nH+]c(=N)n(C)c2)cc1,CN(C)c1ccc(-c2cnc(=[NH2+])n(C)c2)cc1,Cn1cc(-c2ccc([NH+](C)C)cc2)cnc1=N	CN(C)c1ccc(-c2cnc(=N)n(C)c2)cc1	mol7415	CN(C)c1ccc(-c2cnc(=N)n(C)c2)cc1
3.19	IUPAC digitized pKa	2	1	Cn1cc(-c2ccc([NH+](C)C)cc2)c[nH+]c1=N,Cn1cc(-c2ccc([NH+](C)C)cc2)cnc1=[NH2+]	CN(C)c1ccc(-c2c[nH+]c(=N)n(C)c2)cc1,CN(C)c1ccc(-c2cnc(=[NH2+])n(C)c2)cc1,Cn1cc(-c2ccc([NH+](C)C)cc2)cnc1=N	mol7415	CN(C)c1ccc(-c2cnc(=N)n(C)c2)cc1