[
  {
    "molid": "mol1802",
    "smiles": "O=C(O)[C@H]1CCCNC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@H]1CCC[NH2+]C1",
        "std_free_energy": -12.284170150756836,
        "relative_population": 0.999995194688912
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@H]1CCC[NH2+]C1",
        "std_free_energy": -5.166787147521973,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1CCCNC1",
        "std_free_energy": -3.2218456268310547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]