pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.08999991416931	QSARToolbox	1	0	CCOP(=O)(OCC)c1cccc([NH3+])c1	CCOP(=O)(OCC)c1cccc(N)c1	mol23974	CCOP(=O)(OCC)c1cccc(N)c1
3.09	AttenGpKa training set	1	0	CCOP(=O)(OCC)c1cccc([NH3+])c1	CCOP(=O)(OCC)c1cccc(N)c1	mol23974	CCOP(=O)(OCC)c1cccc(N)c1