[
  {
    "molid": "mol1023",
    "smiles": "CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl",
        "std_free_energy": -8.171991348266602,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1c(Cl)cc([N+](=O)[O-])cc1Cl",
        "std_free_energy": 13.170068740844727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]