pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.11	OCHEM	1	0	CCSc1ccc2cnc[nH+]c2c1,CCSc1ccc2c[nH+]cnc2c1	CCSc1ccc2cncnc2c1	mol7905	CCSc1ccc2cncnc2c1
3.10999989509583	QSARToolbox	1	0	CCSc1ccc2cnc[nH+]c2c1,CCSc1ccc2c[nH+]cnc2c1	CCSc1ccc2cncnc2c1	mol7905	CCSc1ccc2cncnc2c1