pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	IUPAC digitized pKa	1	0	Nc1ncc(-c2ccc([NH3+])cc2)cn1,Nc1ccc(-c2cnc(N)[nH+]c2)cc1,Nc1ccc(-c2cnc([NH3+])nc2)cc1	Nc1ccc(-c2cnc(N)nc2)cc1	mol6995	Nc1ccc(-c2cnc(N)nc2)cc1
2.63	IUPAC digitized pKa	2	1	Nc1ncc(-c2ccc([NH3+])cc2)c[nH+]1,Nc1ccc(-c2c[nH+]c(N)[nH+]c2)cc1,[NH3+]c1ccc(-c2cnc([NH3+])nc2)cc1	Nc1ncc(-c2ccc([NH3+])cc2)cn1,Nc1ccc(-c2cnc(N)[nH+]c2)cc1,Nc1ccc(-c2cnc([NH3+])nc2)cc1	mol6995	Nc1ccc(-c2cnc(N)nc2)cc1