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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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93709 49996276 1 O5N6C41H52 A5B6C41D52 -198.24 8.13 -8.87 -0.45 0
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93710 49996285 1 O5N6C42H60 A5B6C42D60 -257.07 11.43 -8.73 -0.67 0
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93711 49996286 1 O5N6C39H56 A5B6C39D56 -230.99 8.06 -9.12 -0.54 0
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93712 49996288 1 O5N6C39H56 A5B6C39D56 -240.37 4.71 -9.02 -0.52 0
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93713 49996298 1 ClO5N6C33H43 AB5C6D33E43 -227.52 10.95 -9.0 -0.72 0
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93714 49996314 1 F2O5N6C41H50 A2B5C6D41E50 -291.64 14.08 -8.99 -0.66 0
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93715 49996320 1 O5N6C41H58 A5B6C41D58 -209.87 5.74 -9.18 -0.48 0
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93716 49996321 1 O5N6C38H54 A5B6C38D54 -243.19 9.04 -9.01 -0.47 0
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93717 49996329 1 FO5N6C41H51 AB5C6D41E51 -247.74 9.86 -8.81 -0.98 0
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93718 49996337 1 ClO5N6C37H49 AB5C6D37E49 -227.49 9.33 -8.86 -0.63 0
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93719 49996338 1 ClO5N6C38H51 AB5C6D38E51 -239.02 7.7 -8.76 -0.78 0
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93720 49996339 1 ClO5N6C39H53 AB5C6D39E53 -242.23 3.32 -8.84 -0.62 0
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93721 49996347 1 N6O6C37H52 A6B6C37D52 -269.24 8.99 -8.42 -0.17 0
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93722 49996349 1 N6O6C35H48 A6B6C35D48 -263.97 7.78 -8.32 -0.13 0
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93723 49996350 2 N3O3C19H27 A3B3C19D27 -277.04 10.85 -8.32 -0.08 0
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93724 49996351 2 N3O3C20H28 A3B3C20D28 -280.84 7.46 -8.27 -0.07 0
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93725 49996383 1 N6O6C37H52 A6B6C37D52 -269.77 10.01 -8.65 -0.45 0
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93726 49996390 1 O5N6C41H52 A5B6C41D52 -207.23 10.69 -8.54 -0.39 0
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93727 49996391 1 O5N6C40H50 A5B6C40D50 -189.78 11.25 -8.61 -0.52 0
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93728 49996392 1 FO5N6C40H49 AB5C6D40E49 -239.14 2.58 -8.64 -0.56 0
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93729 49996393 1 FO5N6C40H49 AB5C6D40E49 -240.78 3.31 -8.68 -0.64 0
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93730 49996395 1 N6O6C41H52 A6B6C41D52 -237.91 8.39 -8.72 -0.3 0
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93731 49996409 1 FO5N6C41H51 AB5C6D41E51 -248.6 11.16 -8.86 -0.68 0
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93732 49996410 1 F2O5N6C41H50 A2B5C6D41E50 -291.66 9.88 -9.05 -0.85 0
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93733 49996411 1 ClN6O6C39H53 AB6C6D39E53 -273.88 11.39 -8.88 -0.7 0