[
  {
    "molid": "mol2122",
    "smiles": "c1cncc([C@H]2CCCCN2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cncc([C@H]2CCCCN2)c1",
        "std_free_energy": 0.6412712335586548,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cncc([C@H]2CCCC[NH2+]2)c1",
        "std_free_energy": -10.113459587097168,
        "relative_population": 0.9953113220129746
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]