pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.86	Datawarrior	1	0	Clc1ccc2[nH]c[nH+]c2c1	Clc1ccc2[nH]cnc2c1	mol7786	Clc1ccc2[nH]cnc2c1
4.8600001	OCHEM	1	0	Clc1ccc2[nH]c[nH+]c2c1	Clc1ccc2[nH]cnc2c1	mol7786	Clc1ccc2[nH]cnc2c1
4.8600001335144	QSARToolbox	1	0	Clc1ccc2[nH]c[nH+]c2c1	Clc1ccc2[nH]cnc2c1	mol7786	Clc1ccc2[nH]cnc2c1
4.7	AttenGpKa training set	1	0	Clc1ccc2[nH]c[nH+]c2c1	Clc1ccc2[nH]cnc2c1	mol7786	Clc1ccc2[nH]cnc2c1