pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.59	IUPAC digitized pKa	1	0	CNc1nccc(Cl)[nH+]1,C[NH2+]c1nccc(Cl)n1,CNc1nc(Cl)cc[nH+]1	CNc1nccc(Cl)n1	mol1345	CNc1nccc(Cl)n1
2.63	AttenGpKa training set	1	0	CNc1nccc(Cl)[nH+]1,C[NH2+]c1nccc(Cl)n1,CNc1nc(Cl)cc[nH+]1	CNc1nccc(Cl)n1	mol1345	CNc1nccc(Cl)n1