pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02000045776367	QSARToolbox	1	0	CCCC(=O)O[C@H](C[NH2+]C(C)C)COc1cccc2ccccc12	CCCC(=O)O[C@H](CNC(C)C)COc1cccc2ccccc12	mol38360	CCCC(=O)OC(CNC(C)C)COc1cccc2ccccc12