[
  {
    "molid": "mol4305",
    "smiles": "Nc1nnnn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nnnn1-c1ccccc1",
        "std_free_energy": -7.063935279846191,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1nnnn1-c1ccccc1",
        "std_free_energy": 5.735527992248535,
        "relative_population": 0.7991172044104327
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1[nH+]nnn1-c1ccccc1",
        "std_free_energy": 7.459048271179199,
        "relative_population": 0.1425919913770733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.12000000476837,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]