[
  {
    "molid": "mol36260",
    "smiles": "Cc1cc2c(cc1N(C)C)Oc1cc(N)ccc1N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2c(cc1N(C)C)Oc1cc(N)ccc1N2",
        "std_free_energy": -5.4380903244018555,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2c(cc1[NH+](C)C)Oc1cc(N)ccc1N2",
        "std_free_energy": -3.854841470718384,
        "relative_population": 0.46237515380873845
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc2c(cc1N(C)C)Oc1cc([NH3+])ccc1N2",
        "std_free_energy": -3.348106861114502,
        "relative_population": 0.27856236698399944
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc2c(cc1N(C)C)Oc1cc(N)ccc1[NH2+]2",
        "std_free_energy": -3.275534152984619,
        "relative_population": 0.2590624792072621
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]