[
  {
    "molid": "mol32610",
    "smiles": "C#CC1(O)CC(C)NC2CCCCC21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C#C[C@@]1(O)C[C@H](C)N[C@@H]2CCCC[C@H]21",
        "std_free_energy": -2.4461066722869873,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C#C[C@@]1(O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]21",
        "std_free_energy": -9.261844635009766,
        "relative_population": 0.9875018698151041
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5500002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]