pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.01	IUPAC digitized pKa	1	0	C[NH2+]c1ncc(Cl)cc1Cl,CNc1[nH+]cc(Cl)cc1Cl	CNc1ncc(Cl)cc1Cl	mol6438	CNc1ncc(Cl)cc1Cl
3.06	AttenGpKa training set	1	0	C[NH2+]c1ncc(Cl)cc1Cl,CNc1[nH+]cc(Cl)cc1Cl	CNc1ncc(Cl)cc1Cl	mol6438	CNc1ncc(Cl)cc1Cl