[
  {
    "molid": "mol10245",
    "smiles": "ON=C1CCCCCC1=NO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "ON=C1CCCCCC1=NO",
        "std_free_energy": -7.591623306274414,
        "relative_population": 0.9999993315322246
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=C1CCCCCC1=NO",
        "std_free_energy": 1.506934404373169,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]N=C1CCCCCC1=N[O-]",
        "std_free_energy": 15.907105445861816,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.4700002670288,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.21,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]