[
  {
    "molid": "mol14653",
    "smiles": "CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12",
        "std_free_energy": -3.5184388160705566,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc[nH+]c2ccc(OC)cc12",
        "std_free_energy": -5.9201812744140625,
        "relative_population": 0.05439431444371341
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[C@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12",
        "std_free_energy": -8.775747299194336,
        "relative_population": 0.9456056855562865
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]