pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8299999237061	QSARToolbox	1	0	CC[C@@H](C)[NH+]1CCCCC1	CC[C@@H](C)N1CCCCC1	mol24527	CCC(C)N1CCCCC1
11.07	AttenGpKa training set	1	0	CC[C@@H](C)[NH+]1CCCCC1	CC[C@@H](C)N1CCCCC1	mol24527	CCC(C)N1CCCCC1