pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	IUPAC digitized pKa	1	0	c1ccc(CC[NH+]2CCCCC2)nc1	c1ccc(CCN2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
9.28999996185303	QSARToolbox	1	0	c1ccc(CC[NH+]2CCCCC2)nc1	c1ccc(CCN2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
9.33	AttenGpKa training set	1	0	c1ccc(CC[NH+]2CCCCC2)nc1	c1ccc(CCN2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
3.59	IUPAC digitized pKa	2	1	c1ccc(CC[NH+]2CCCCC2)[nH+]c1	c1ccc(CC[NH+]2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
3.58999991416931	QSARToolbox	2	1	c1ccc(CC[NH+]2CCCCC2)[nH+]c1	c1ccc(CC[NH+]2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1
3.65	AttenGpKa training set	2	1	c1ccc(CC[NH+]2CCCCC2)[nH+]c1	c1ccc(CC[NH+]2CCCCC2)nc1	mol1283	c1ccc(CCN2CCCCC2)nc1