pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	1	0	CCCC(=O)Nc1ccc(OC[C@@H](C[NH2+]C(C)C)OC(=O)C2CC2)c(C(C)=O)c1	CCCC(=O)Nc1ccc(OC[C@@H](CNC(C)C)OC(=O)C2CC2)c(C(C)=O)c1	mol35186	CCCC(=O)Nc1ccc(OCC(CNC(C)C)OC(=O)C2CC2)c(C(C)=O)c1