[
  {
    "molid": "mol37710",
    "smiles": "NCCCC[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)O",
    "microspecies": [
      {
        "id": "3_7",
        "charge": 3,
        "smiles": "[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]",
        "std_free_energy": -14.794113159179688,
        "relative_population": 0.9990182936462975
      },
      {
        "id": "4_3",
        "charge": 4,
        "smiles": "N[C@@H](CCCC[NH3+])C(=[OH+])N[C@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)O",
        "std_free_energy": -6.18920373916626,
        "relative_population": 0.9979788008321072
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.94000005722046,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]