[
  {
    "molid": "mol25857",
    "smiles": "Cc1cc(N)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)n[nH]1",
        "std_free_energy": -6.4688849449157715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N)[nH+][nH]1",
        "std_free_energy": -1.427913784980774,
        "relative_population": 0.516550631418436
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc([NH3+])n[nH]1",
        "std_free_energy": -1.3616870641708374,
        "relative_population": 0.48344936858156384
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]