[
  {
    "molid": "mol15420",
    "smiles": "C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]1O",
        "std_free_energy": -5.500875473022461,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](O)[C@H](CCC=O)O[C@H]1O[C@H](C)[C@@H]([NH+](C)C)[C@H](O)[C@H]1O",
        "std_free_energy": -6.542708396911621,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]