[
  {
    "molid": "mol36251",
    "smiles": "CC(=NN(C)C)NC(=O)Nc1cccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NN(C)C)NC(=O)Nc1cccc2ccccc12",
        "std_free_energy": -6.034408092498779,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=N[NH+](C)C)NC(=O)Nc1cccc2ccccc12",
        "std_free_energy": -2.126906394958496,
        "relative_population": 0.2102430270623947
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(NC(=O)Nc1cccc2ccccc12)=[NH+]N(C)C",
        "std_free_energy": -3.445326805114746,
        "relative_population": 0.7857860414496253
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]