[
  {
    "molid": "mol25229",
    "smiles": "N#[N+]c1nc[nH]n1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#[N+]c1nc[nH]n1",
        "std_free_energy": 4.506077766418457,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "N#[N+]c1nc[nH][nH+]1",
        "std_free_energy": 17.271467208862305,
        "relative_population": 0.647789514454296
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "N#[N+]c1n[nH]c[nH+]1",
        "std_free_energy": 17.88080406188965,
        "relative_population": 0.35221048554570394
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.38,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]