[
  {
    "molid": "mol15759",
    "smiles": "C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](C(=O)O)N2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](C(=O)[O-])[NH+]2C1",
        "std_free_energy": -13.06540584564209,
        "relative_population": 0.9999976343813943
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](C(=O)O)[NH+]2C1",
        "std_free_energy": -2.691845655441284,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CC[C@H]2[C@H](C)CC[C@@H](C(=O)[O-])N2C1",
        "std_free_energy": -3.1988487243652344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]