[
  {
    "molid": "mol24765",
    "smiles": "CC(CC1CCCCC1)NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CC1CCCCC1)NN",
        "std_free_energy": -4.25986385345459,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](CC1CCCCC1)[NH2+]N",
        "std_free_energy": -4.801042556762695,
        "relative_population": 0.5992682754977212
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](CC1CCCCC1)N[NH3+]",
        "std_free_energy": -4.398625373840332,
        "relative_population": 0.4007317245022789
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]