[
  {
    "molid": "mol12362",
    "smiles": "CN[C@H]1C[C@]1(C)NC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@H]1C[C@]1(C)NC",
        "std_free_energy": -2.459526538848877,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN[C@@]1(C)C[C@@H]1[NH2+]C",
        "std_free_energy": -7.7054243087768555,
        "relative_population": 0.45500172140427525
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN[C@H]1C[C@]1(C)[NH2+]C",
        "std_free_energy": -7.885905742645264,
        "relative_population": 0.5449982785957248
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+][C@H]1C[C@]1(C)[NH2+]C",
        "std_free_energy": -5.84967041015625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.52,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]