[
  {
    "molid": "mol1553",
    "smiles": "Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1",
        "std_free_energy": -7.39901065826416,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(C[NH2+]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1",
        "std_free_energy": 11.478178977966309,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]