[
  {
    "molid": "mol33745",
    "smiles": "c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1",
        "std_free_energy": -7.957382678985596,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N=Nc2ccc([NH2+]c3ccccc3)cc2)cc1",
        "std_free_energy": 3.1816768646240234,
        "relative_population": 0.45777513539516057
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(N=[NH+]c2ccc(Nc3ccccc3)cc2)cc1",
        "std_free_energy": 3.01237416267395,
        "relative_population": 0.5422248646048393
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc(Nc2ccc([NH+]=[NH+]c3ccccc3)cc2)cc1",
        "std_free_energy": 9.890721321105957,
        "relative_population": 0.992037767170581
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.54999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.990000009536743,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]