Datasets:

---

yqj01

/

NMREluBench

like 0

[ "Cl", "O", "C", "C", "C", "C", "C", "C", "C", "C", "C", "H", "H", "H", "H", "H", "H", "H", "H", "H" ]

[ 0, 0, 138.6, 31.94, 199.28, 128.12, 126.06, 8.1, 134.95, 129.91, 132.75, 7.92, 7.5, 7.4, 7.85, 2.969, 0, 1.22, 0, 0 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 1, 0, 0 ]

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[ 7.92, 7.5, 7.4, 7.85, 2.97, 1.22 ]

[ 8.1, 31.9, 126.1, 128.1, 129.9, 132.8, 135, 138.6, 199.3 ]

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[ 7.57 ]

[]

[ "C", "N", "C", "C", "N", "C", "C", "C", "C", "N", "H", "H", "H", "H", "H", "H", "H" ]

[ 144.7, 0, 141.5, 135, 0, 119.6, 121.7, 122.5, 110.2, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ 1, 0, 1, 1, 0, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0 ]

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[]

[ 110.2, 119.6, 121.7, 122.5, 135, 141.5, 144.7 ]

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[ 1.54, 3.91, 1.74, 1, 1.21, 1.05, 0.93, 1.01 ]

[ 27.8, 32.6, 35.2, 48.8, 51.7, 65.9 ]

[ "C", "C", "C", "C", "C", "C", "C", "O", "O", "H", "H", "H", "H", "H", "H" ]

[ 75.8, 74.2, 152.1, 54.4, 72.1, 84.5, 3.6, 0, 0, 0, 0, 0, 0, 0, 0 ]

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[]

[ 3.6, 54.4, 72.1, 74.2, 75.8, 84.5, 152.1 ]

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[]

[ 18.4, 56.1, 62.4, 71.4, 75, 78.6, 79, 102.6, 113.1, 114, 120.6, 124, 131.2, 131.9, 148.2, 149.3 ]

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