[
  {
    "molid": "mol13050",
    "smiles": "CC1CCCC(C(=O)O)N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]1CCC[C@H](C(=O)[O-])[NH2+]1",
        "std_free_energy": -12.894769668579102,
        "relative_population": 0.9999961939281499
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CCC[C@H](C(=O)O)[NH2+]1",
        "std_free_energy": -3.053018569946289,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CCC[C@H](C(=O)[O-])N1",
        "std_free_energy": -3.6002938747406006,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 0.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]