[
  {
    "molid": "mol32779",
    "smiles": "NCCCN1C=Cc2c(cccc2[N+](=O)[O-])C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCN1C=Cc2c(cccc2[N+](=O)[O-])C1",
        "std_free_energy": -1.135001301765442,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCCN1C=Cc2c(cccc2[N+](=O)[O-])C1",
        "std_free_energy": -9.53329086303711,
        "relative_population": 0.9619152928351351
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4799995,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]