[
  {
    "molid": "mol32510",
    "smiles": "NC(CCCCN1C(=O)CC(N)C1=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@@H]1CC(=O)N(CCCC[C@H]([NH3+])C(=O)[O-])C1=O",
        "std_free_energy": -12.07851791381836,
        "relative_population": 0.9576771836738055
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CC(=O)N(CCCC[C@H]([NH3+])C(=O)[O-])C1=O",
        "std_free_energy": -11.337053298950195,
        "relative_population": 0.9996586421817388
      },
      {
        "id": "2_9",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1CC(=O)N(CCCC[C@H]([NH3+])C(=O)O)C1=O",
        "std_free_energy": -1.358603835105896,
        "relative_population": 0.9992327898716541
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N[C@@H]1CC(=O)N(CCCC[C@H](N)C(=O)[O-])C1=O",
        "std_free_energy": -5.537243843078613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]