pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55000019073486	QSARToolbox	3	2	CC(C)C[NH2+]CC(=O)Nc1ccccc1NC(=O)C[NH+](CC(=O)Nc1ccccc1NC(=O)C[NH2+]CC(C)C)CC(C)C	CC(C)C[NH2+]CC(=O)Nc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1NC(=O)C[NH2+]CC(C)C)CC(C)C,CC(C)CNCC(=O)Nc1ccccc1NC(=O)C[NH+](CC(=O)Nc1ccccc1NC(=O)C[NH2+]CC(C)C)CC(C)C	mol34463	CC(C)CNCC(=O)Nc1ccccc1NC(=O)CN(CC(=O)Nc1ccccc1NC(=O)CNCC(C)C)CC(C)C