[
  {
    "molid": "mol32540",
    "smiles": "CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC([N+](C)(C)O)C2O)C2(C)CC(C)C3(OC1(C)C=C3C)O2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@@H]2O)[C@@]2(C)C[C@H](C)[C@@]3(O2)O[C@@]1(C)C=C3C",
        "std_free_energy": -6.2753777503967285,
        "relative_population": 0.9999125358871712
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)O)[C@@H]2O)[C@@]2(C)C[C@H](C)[C@@]3(O2)O[C@@]1(C)C=C3C",
        "std_free_energy": -0.939380407333374,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]