[
  {
    "molid": "mol4673",
    "smiles": "CN(C)c1cnc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cnc2ccccc2n1",
        "std_free_energy": -8.324518203735352,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1cnc2ccccc2n1",
        "std_free_energy": -1.561580777168274,
        "relative_population": 0.3996344294306546
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cnc2ccccc2[nH+]1",
        "std_free_energy": -1.4244208335876465,
        "relative_population": 0.34841359282646145
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1c[nH+]c2ccccc2n1",
        "std_free_energy": -1.100269079208374,
        "relative_population": 0.251951977742884
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]