pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.819999992847443	QSARToolbox	1	0	c1ccc2[nH+]ncnc2c1,c1ccc2n[nH+]cnc2c1,c1ccc2[nH+]cnnc2c1	c1ccc2nncnc2c1	mol4687	c1ccc2nncnc2c1
-0.82	AttenGpKa training set	1	0	c1ccc2[nH+]ncnc2c1,c1ccc2n[nH+]cnc2c1,c1ccc2[nH+]cnnc2c1	c1ccc2nncnc2c1	mol4687	c1ccc2nncnc2c1