pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	IUPAC digitized pKa	1	0	CNc1nc([NH3+])cc(Cl)n1,CNc1nc(Cl)cc(N)[nH+]1,CNc1nc(N)cc(Cl)[nH+]1,C[NH2+]c1nc(N)cc(Cl)n1	CNc1nc(N)cc(Cl)n1	mol4064	CNc1nc(N)cc(Cl)n1
3.81	AttenGpKa training set	1	0	CNc1nc([NH3+])cc(Cl)n1,CNc1nc(Cl)cc(N)[nH+]1,CNc1nc(N)cc(Cl)[nH+]1,C[NH2+]c1nc(N)cc(Cl)n1	CNc1nc(N)cc(Cl)n1	mol4064	CNc1nc(N)cc(Cl)n1