[
  {
    "molid": "mol8287",
    "smiles": "Cc1nc(N(C)C)nc2c1ncn2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(N(C)C)nc2c1ncn2C",
        "std_free_energy": -7.3051958084106445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(N(C)C)[nH+]c2c1ncn2C",
        "std_free_energy": -0.9547097086906433,
        "relative_population": 0.1272262847322721
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc([NH+](C)C)nc2c1ncn2C",
        "std_free_energy": -2.011920928955078,
        "relative_population": 0.36619958200480884
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1[nH+]c(N(C)C)nc2c1ncn2C",
        "std_free_energy": -1.820516586303711,
        "relative_population": 0.30240710764576856
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1nc(N(C)C)nc2c1[nH+]cn2C",
        "std_free_energy": -1.4276808500289917,
        "relative_population": 0.20416702561715058
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]