[
  {
    "molid": "mol29297",
    "smiles": "O=C(O)C1CNC1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C1C[NH2+]C1",
        "std_free_energy": -12.301419258117676,
        "relative_population": 0.9999935898720255
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)C1C[NH2+]C1",
        "std_free_energy": -4.0394134521484375,
        "relative_population": 0.9970001776613661
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C1CNC1",
        "std_free_energy": -3.837275266647339,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]