[
  {
    "molid": "mol29619",
    "smiles": "CCCCCCCC1(C)NNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCC[C@@]1(C)NNC(=O)NC1=O",
        "std_free_energy": -6.820357322692871,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCC[C@@]1(C)NNC(=O)[N-]C1=O",
        "std_free_energy": -0.37260520458221436,
        "relative_population": 0.6202352693772669
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCC[C@@]1(C)N[N-]C(=O)NC1=O",
        "std_free_energy": 0.11794173717498779,
        "relative_population": 0.3797647306227331
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]