[
  {
    "molid": "mol25373",
    "smiles": "CCCc1n[nH]c([N+](=O)[O-])n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1n[nH]c([N+](=O)[O-])n1",
        "std_free_energy": -4.667539596557617,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1n[n-]c([N+](=O)[O-])n1",
        "std_free_energy": -6.476137161254883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]