[
  {
    "molid": "mol15771",
    "smiles": "C#C[C@]1(O)C[C@H](C)N(C)[C@@H]2CCCC[C@H]21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C#C[C@]1(O)C[C@H](C)N(C)[C@@H]2CCCC[C@H]21",
        "std_free_energy": -2.7890067100524902,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C#C[C@]1(O)C[C@H](C)[NH+](C)[C@@H]2CCCC[C@H]21",
        "std_free_energy": -9.103343963623047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]