pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.600000023841858	QSARToolbox	1	0	CCCN(C(C)=[OH+])c1ccccc1	CCCN(C(C)=O)c1ccccc1	mol3312	CCCN(C(C)=O)c1ccccc1
-0.6	AttenGpKa training set	1	0	CCCN(C(C)=[OH+])c1ccccc1	CCCN(C(C)=O)c1ccccc1	mol3312	CCCN(C(C)=O)c1ccccc1