pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.79	IUPAC digitized pKa	1	0	Cn1cnc2cccc([NH3+])c21,Cn1c[nH+]c2cccc(N)c21	Cn1cnc2cccc(N)c21	mol4492	Cn1cnc2cccc(N)c21
5.59	AttenGpKa training set	1	0	Cn1cnc2cccc([NH3+])c21,Cn1c[nH+]c2cccc(N)c21	Cn1cnc2cccc(N)c21	mol4492	Cn1cnc2cccc(N)c21
2.36	IUPAC digitized pKa	2	1	Cn1c[nH+]c2cccc([NH3+])c21	Cn1cnc2cccc([NH3+])c21,Cn1c[nH+]c2cccc(N)c21	mol4492	Cn1cnc2cccc(N)c21