pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89999961853027	QSARToolbox	1	0	CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCC[NH3+])n1,CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCCN)[nH+]1,CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(C[NH2+]CCN)n1,CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(CNCCN)n1	CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCCN)n1	mol38085	CC(C)(C)NC(=O)CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(CNCCN)n1