pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85999965667725	QSARToolbox	1	0	COc1ccccc1N1CC[NH2+]CC1	COc1ccccc1N1CCNCC1	mol24614	COc1ccccc1N1CCNCC1
9.06	AttenGpKa training set	1	0	COc1ccccc1N1CC[NH2+]CC1	COc1ccccc1N1CCNCC1	mol24614	COc1ccccc1N1CCNCC1