pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.29	Datawarrior	1	0	CC(=O)OC[C@H]1C[NH+]2CCC1CC2	CC(=O)OC[C@H]1CN2CCC1CC2	mol13791	CC(=O)OCC1CN2CCC1CC2
10.289999961853	QSARToolbox	1	0	CC(=O)OC[C@H]1C[NH+]2CCC1CC2	CC(=O)OC[C@H]1CN2CCC1CC2	mol13791	CC(=O)OCC1CN2CCC1CC2