[
  {
    "molid": "mol15810",
    "smiles": "Oc1ccc2c(c1)Nc1ccccc1N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc2c(c1)Nc1ccccc1N2",
        "std_free_energy": -7.291664123535156,
        "relative_population": 0.9999990983979977
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc2c(c1)Nc1ccccc1[NH2+]2",
        "std_free_energy": 3.4187207221984863,
        "relative_population": 0.6827680190957284
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1ccc2c(c1)[NH2+]c1ccccc1N2",
        "std_free_energy": 4.18543815612793,
        "relative_population": 0.3171699398264613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]