[
  {
    "molid": "mol12361",
    "smiles": "C[C@H]1CN[C@@H](C)CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CN[C@@H](C)CN1",
        "std_free_energy": -0.7339838743209839,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1C[NH2+][C@@H](C)CN1",
        "std_free_energy": -8.865985870361328,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@H]1C[NH2+][C@@H](C)C[NH2+]1",
        "std_free_energy": -6.176259517669678,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.98,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.23,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]