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],
[
1.80386893,
-1.63874934,
-2.32917351
],
[
1.19117485,
-0.0023912,
-2.71128952
],
[
1.22893522,
0.63641017,
1.04579023
],
[
-2.25851865,
1.71544143,
1.26705916
],
[
-1.51990788,
1.27354575,
2.9157707
],
[
-2.59021392,
0.13415973,
1.76223949
]
] |
[
true,
true,
true
] |
C5H8O2
|
C5H8O2
|
A8B5C2
|
[
"C",
"H",
"O"
] |
[
0.3333333333333333,
0.5333333333333333,
0.13333333333333333
] |
[
6,
6,
6,
8,
6,
8,
6,
1,
1,
1,
1,
1,
1,
1,
1
] | 15
| 3
| 0
|
[
0,
0,
0
] |
[
"test_600K_MD_182"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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