pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	Datawarrior	1	0	CCOC(=O)[C@@H]1C[NH+]2CCC1CC2	CCOC(=O)[C@@H]1CN2CCC1CC2	mol13790	CCOC(=O)C1CN2CCC1CC2
9.6400003	OCHEM	1	0	CCOC(=O)[C@@H]1C[NH+]2CCC1CC2	CCOC(=O)[C@@H]1CN2CCC1CC2	mol13790	CCOC(=O)C1CN2CCC1CC2
9.64000034332275	QSARToolbox	1	0	CCOC(=O)[C@@H]1C[NH+]2CCC1CC2	CCOC(=O)[C@@H]1CN2CCC1CC2	mol13790	CCOC(=O)C1CN2CCC1CC2