[
  {
    "molid": "mol12811",
    "smiles": "CC(C)N(CC1CO1)CC1CO1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N(C[C@H]1CO1)C[C@@H]1CO1",
        "std_free_energy": -5.059778213500977,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)[NH+](C[C@H]1CO1)C[C@@H]1CO1",
        "std_free_energy": -6.1273064613342285,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.0700002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]