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PO_5065527268158489666011612
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| 2025-04-16T17:50:00
|
DS_epqxcavda3kt_0
| 1
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ORCA
|
DFT-ωB97X
| -17,659.818839
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[
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true
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C12H12N2O
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C12H12N2O
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A12B12C2D
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[
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[
"test_600K_1402"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1540/MD_7106615622458842762641540.json
| null |
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