pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8199996948242	QSARToolbox	1	0	CCCC[NH+]1[C@H](C)CCC[C@@H]1C	CCCCN1[C@H](C)CCC[C@@H]1C	mol24582	CCCCN1[C@H](C)CCC[C@@H]1C
11.02	AttenGpKa training set	1	0	CCCC[NH+]1[C@H](C)CCC[C@@H]1C	CCCCN1[C@H](C)CCC[C@@H]1C	mol24582	CCCCN1[C@H](C)CCC[C@@H]1C