pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.84	IUPAC digitized pKa	0	-1	CNc1nccc(O)n1	CNc1nccc([O-])n1	mol2457	CNc1nccc(O)n1
9.82	AttenGpKa training set	0	-1	CNc1nccc(O)n1	CNc1nccc([O-])n1	mol2457	CNc1nccc(O)n1
3.9	IUPAC digitized pKa	1	0	C[NH2+]c1nccc(O)n1,CNc1nc(O)cc[nH+]1,CNc1nccc(O)[nH+]1	CNc1nccc(O)n1	mol2457	CNc1nccc(O)n1
3.93	AttenGpKa training set	1	0	C[NH2+]c1nccc(O)n1,CNc1nc(O)cc[nH+]1,CNc1nccc(O)[nH+]1	CNc1nccc(O)n1	mol2457	CNc1nccc(O)n1