pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.69999980926514	QSARToolbox	1	0	C=CCOc1ccccc1OC[C@@H](C[NH2+]C(C)C)OC(=O)c1ccccc1Cl	C=CCOc1ccccc1OC[C@@H](CNC(C)C)OC(=O)c1ccccc1Cl	mol38406	C=CCOc1ccccc1OCC(CNC(C)C)OC(=O)c1ccccc1Cl