[
  {
    "molid": "mol15754",
    "smiles": "CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)O)NC[C@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)[O-])[NH2+]C[C@H]21",
        "std_free_energy": -11.642876625061035,
        "relative_population": 0.9999823427077483
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)O)[NH2+]C[C@H]21",
        "std_free_energy": -1.244646430015564,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)[O-])NC[C@H]21",
        "std_free_energy": -5.599494934082031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]