[
  {
    "molid": "mol14036",
    "smiles": "Nc1ccc2[nH]c(=O)[nH]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2[nH]c(=O)[nH]c2c1",
        "std_free_energy": -6.113338947296143,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2[nH]c(=O)[nH]c2c1",
        "std_free_energy": -2.792360544204712,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc2[nH]c(=O)[n-]c2c1",
        "std_free_energy": 6.423922538757324,
        "relative_population": 0.48263973730173715
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ccc2[n-]c(=O)[nH]c2c1",
        "std_free_energy": 6.3544535636901855,
        "relative_population": 0.5173602626982627
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]