pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.30999994277954	QSARToolbox	0	-1	CCCCOC(=O)N[N+](=O)[O-]	CCCCOC(=O)[N-][N+](=O)[O-]	mol27872	CCCCOC(=O)N[N+](=O)[O-]
3.31	AttenGpKa training set	0	-1	CCCCOC(=O)N[N+](=O)[O-]	CCCCOC(=O)[N-][N+](=O)[O-]	mol27872	CCCCOC(=O)N[N+](=O)[O-]