[
  {
    "molid": "mol14749",
    "smiles": "Cc1cc(Cc2cc(O)ccc2C)c(O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cc2cc(O)ccc2C)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -5.593462944030762,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc(O)ccc2C)c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": -2.240710973739624,
        "relative_population": 0.7048009614656383
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc([O-])ccc2C)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -1.3704453706741333,
        "relative_population": 0.29519903853436175
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(Cc2cc([O-])ccc2C)c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": 6.521528244018555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.93,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9299998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.92999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]