[
  {
    "molid": "mol7393",
    "smiles": "CN=c1nc(N(C)C)ccn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN=c1nc(N(C)C)ccn1C",
        "std_free_energy": -0.3756037950515747,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN=c1nc([NH+](C)C)ccn1C",
        "std_free_energy": -8.300065040588379,
        "relative_population": 0.09614671073839809
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN=c1[nH+]c(N(C)C)ccn1C",
        "std_free_energy": -9.289122581481934,
        "relative_population": 0.2585095927783965
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+]=c1nc(N(C)C)ccn1C",
        "std_free_energy": -10.203972816467285,
        "relative_population": 0.6453436964832053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]