pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	IUPAC digitized pKa	1	0	COc1cccc(C[NH3+])c1	COc1cccc(CN)c1	mol2561	COc1cccc(CN)c1
9.29	IUPAC digitized pKa	1	0	COc1cccc(C[NH3+])c1	COc1cccc(CN)c1	mol2561	COc1cccc(CN)c1
9.14999961853027	QSARToolbox	1	0	COc1cccc(C[NH3+])c1	COc1cccc(CN)c1	mol2561	COc1cccc(CN)c1
9.19	AttenGpKa training set	1	0	COc1cccc(C[NH3+])c1	COc1cccc(CN)c1	mol2561	COc1cccc(CN)c1