[
  {
    "molid": "mol36406",
    "smiles": "CN(C)c1ccc(/C=N/CC/N=C/c2ccc(N(C)C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/C=N/CC/N=C/c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -2.7318506240844727,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=N/CC/N=C/c2ccc([NH+](C)C)cc2)cc1",
        "std_free_energy": -6.40820837020874,
        "relative_population": 0.0758920495813553
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=N/CC/[NH+]=C/c2ccc(N(C)C)cc2)cc1",
        "std_free_energy": -8.90772533416748,
        "relative_population": 0.9241079504186448
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]