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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183390 77015737 1 N2O3C11H16 A2B3C11D16 -115.61 4.93 -10.51 -1.69 0
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183391 77016045 1 ON4C12H18 AB4C12D18 3.19 2.57 -8.81 -0.42 0
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183392 77016096 1 ON5C14H23 AB5C14D23 -8.63 6.21 -8.68 -0.06 0
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183393 77016850 1 ClN2O3C14H19 AB2C3D14E19 -85.05 5.46 -8.79 -0.42 0
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183394 77017095 1 O2N3C15H27 A2B3C15D27 -69.97 4.02 -9.2 0.53 0
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183395 77017370 1 FOSN4H9C11 ABCD4E9F11 26.41 2.26 -9.18 -0.96 0
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183396 77018044 1 O2N3C9H13 A2B3C9D13 -68.07 7.16 -10.15 -0.21 0
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183397 77018045 1 O2N3C11H17 A2B3C11D17 -81.43 8.23 -10.04 -0.07 0
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183398 77018046 1 O2N3C10H15 A2B3C10D15 -76.19 5.29 -9.94 0.0 0
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183399 77018047 2 ON2C7H8 AB2C7D8 -29.28 4.28 -9.8 -0.9 0
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183400 77018072 1 O2N3C14H19 A2B3C14D19 -73.64 5.35 -9.37 0.16 0
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183401 77018073 1 O2N3C11H21 A2B3C11D21 -110.86 3.0 -8.77 0.31 1
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183402 77018501 1 ClN4O4H10C11 AB4C4D10E11 -41.41 5.82 0.0 0.0 0
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183403 77018511 1 FN2O3C15H17 AB2C3D15E17 -159.21 7.87 -9.33 -0.22 0
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183404 77019173 1 O2N4C13H18 A2B4C13D18 -66.31 4.55 -8.35 0.1 0
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183405 77019174 1 N4O4C13H16 A4B4C13D16 -78.88 10.23 -8.78 -0.68 0
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183406 77019175 1 ClO2N4C13H17 AB2C4D13E17 -70.58 4.31 -8.38 -0.18 0
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183407 77019176 1 SO2N5C13H21 AB2C5D13E21 -60.29 8.3 -8.76 -0.53 0
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183408 77019177 1 O2N4C13H18 A2B4C13D18 -73.93 6.42 -8.63 -0.1 0
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183409 77020817 1 BrO5C14H17 AB5C14D17 -166.03 4.16 -9.34 -1.28 0
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183410 77020915 1 FSO2N3C13H14 ABC2D3E13F14 -62.3 6.22 -9.13 -1.52 0
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183411 77020934 1 N3O3C13H15 A3B3C13D15 -38.22 1.91 -9.34 -0.57 0
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183412 77021189 1 SO3N5C10H19 AB3C5D10E19 -73.0 3.09 -9.09 -0.17 0
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183413 77021269 1 ON5C13H17 AB5C13D17 86.19 4.59 -8.78 -1.96 0
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183414 77021360 1 SN3O4C13H13 AB3C4D13E13 -94.12 4.85 -9.61 -1.02 0
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183415 77021361 1 SO3N5C12H15 AB3C5D12E15 -20.77 4.06 -8.91 -0.46 0
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183416 77021362 1 SO3N5C7H13 AB3C5D7E13 -46.91 2.95 -9.05 -0.38 0
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183417 77021583 1 SO2N3C8H17 AB2C3D8E17 -66.59 1.92 -8.98 0.09 0
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183418 77021584 1 SO2N3C10H19 AB2C3D10E19 -68.19 3.9 -8.7 0.4 0
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183419 77021585 1 SO2N3C12H17 AB2C3D12E17 -33.06 4.51 -8.96 -0.22 0
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183420 77021586 1 FSO2N3C10H12 ABC2D3E10F12 -65.53 4.14 -8.88 -0.61 0
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183421 77021587 1 FSO2N3C12H14 ABC2D3E12F14 -70.6 5.38 -8.93 -0.46 0
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183422 77021588 1 SO2N4C11H22 AB2C4D11E22 -53.22 2.32 -8.71 0.56 0
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183423 77021589 1 SO2N4C11H22 AB2C4D11E22 -54.54 0.84 -8.86 0.14 0
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183424 77021590 1 SO2N4C13H24 AB2C4D13E24 -57.28 5.06 -8.58 0.39 0
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183425 77021591 1 NSO3C15H17 ABC3D15E17 -108.17 10.42 -8.97 -1.02 0
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183426 77021592 1 NSO3C13H15 ABC3D13E15 -101.91 7.82 -9.01 -0.95 0
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183427 77021593 1 NSO3C15H17 ABC3D15E17 -104.17 7.57 -8.89 -1.01 0
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183428 77021594 1 SO2N6C10H18 AB2C6D10E18 1.65 4.95 -8.77 -0.72 0
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183429 77021595 1 SO2N3C13H23 AB2C3D13E23 -76.29 2.91 -8.67 0.39 0
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183430 77021596 1 SO2N3C13H23 AB2C3D13E23 -71.05 1.22 -8.65 0.13 0
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183431 77021597 1 SO2N3C12H23 AB2C3D12E23 -75.25 3.92 -8.75 0.46 0
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183432 77021598 1 SO2N3C10H19 AB2C3D10E19 -71.1 3.3 -8.93 0.0 0
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183433 77021599 1 SO2N3C9H19 AB2C3D9E19 -70.12 3.94 -8.78 0.46 0
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183434 77021600 1 SO2N3C11H15 AB2C3D11E15 -21.12 2.46 -8.9 -0.06 0
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183435 77021601 1 SO2N3C13H17 AB2C3D13E17 -25.87 2.41 -8.89 -0.07 0
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183436 77021602 1 FSO2N3C12H14 ABC2D3E12F14 -73.05 3.23 -9.01 -0.36 0
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183437 77021603 1 FSO2N3C11H14 ABC2D3E11F14 -70.27 1.76 -8.83 -0.48 0
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183438 77021604 1 SO2N3C13H17 AB2C3D13E17 -27.52 3.34 -9.02 -0.47 0
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183439 77021605 1 SO2N4C13H24 AB2C4D13E24 -58.51 2.67 -8.86 0.14 0