[
  {
    "molid": "mol36259",
    "smiles": "CN(C)c1cc(N(C)C)nc(N(C)C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc(N(C)C)nc(N(C)C)n1",
        "std_free_energy": -4.963923931121826,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cc(N(C)C)nc([NH+](C)C)n1",
        "std_free_energy": -6.242171287536621,
        "relative_population": 0.458214593669764
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc(N(C)C)[nH+]c(N(C)C)n1",
        "std_free_energy": -5.475327014923096,
        "relative_population": 0.2128299195339813
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1cc([NH+](C)C)nc(N(C)C)n1",
        "std_free_energy": -5.9107561111450195,
        "relative_population": 0.32895548679625464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8899998664856,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]