pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09999990463257	QSARToolbox	1	0	Fc1ccc2cnc[nH+]c2c1,Fc1ccc2c[nH+]cnc2c1	Fc1ccc2cncnc2c1	mol7909	Fc1ccc2cncnc2c1
3.1	AttenGpKa training set	1	0	Fc1ccc2cnc[nH+]c2c1,Fc1ccc2c[nH+]cnc2c1	Fc1ccc2cncnc2c1	mol7909	Fc1ccc2cncnc2c1