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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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206095 80202120 1 BrN2C15H17 AB2C15D17 47.3 3.58 -9.28 -0.51 0
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206096 80202377 1 BrN2C16H19 AB2C16D19 36.94 3.53 -9.22 -0.46 0
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206097 80202533 1 FNO2C17H18 ABC2D17E18 -96.82 4.35 -9.63 -0.33 0
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206098 80202861 1 OF2N2C16H22 AB2C2D16E22 -116.66 2.21 -8.59 -1.03 0
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206099 80202862 1 NF2O2C16H21 AB2C2D16E21 -161.63 3.34 -8.96 -0.87 0
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206100 80202971 1 ON2C18H36 AB2C18D36 -118.37 3.96 -9.29 1.2 0
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206101 80202972 1 ON2C18H36 AB2C18D36 -118.02 2.53 -9.52 1.2 0
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206102 80203157 1 Cl2O2H16C17 A2B2C16D17 -61.78 4.14 -8.95 -0.48 0
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206103 80203242 1 FNC12H16 ABC12D16 -25.18 1.94 -9.13 -0.03 0
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206104 80203779 1 FN2O2C16H17 AB2C2D16E17 -37.23 8.37 -9.03 -0.73 0
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206105 80204089 1 OF2N2C16H24 AB2C2D16E24 -137.07 4.3 -8.55 -0.25 0
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206106 80204442 1 FNO2C15H22 ABC2D15E22 -145.04 1.11 -9.21 0.02 0
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206107 80204443 1 FNSO2C14H20 ABCD2E14F20 -131.03 8.01 -9.48 -0.21 0
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206108 80204444 1 FNSH16C17 ABCD16E17 2.58 3.15 -8.12 -0.37 0
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206109 80204558 1 NF2O2C16H21 AB2C2D16E21 -183.95 6.18 -9.06 -0.32 0
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206110 80204775 1 NF2O2H15C16 AB2C2D15E16 -145.73 6.17 -8.87 -0.7 0
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206111 80204882 1 NO2C18H31 AB2C18D31 -106.44 4.07 -8.24 0.27 0
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206112 80205319 1 BrNF2O2H12C15 ABC2D2E12F15 -130.13 1.81 -9.22 -1.01 0
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206113 80206170 1 FON2C14H17 ABC2D14E17 -27.19 2.68 -9.26 -0.05 0
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206114 80206555 1 NOF2C15H23 ABC2D15E23 -145.22 2.34 -8.73 -0.5 0
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206115 80206914 1 NF2O2C9H9 AB2C2D9E9 -168.76 3.36 -10.16 -0.61 0
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206116 80207121 1 F2N3C12H13 A2B3C12D13 -30.75 6.76 -9.1 -0.24 0
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206117 80207189 1 OF2C12H14 AB2C12D14 -134.4 2.42 -9.91 -0.51 0
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206118 80207557 1 BrNO2C11H12 ABC2D11E12 -48.42 3.22 -9.86 -1.35 0
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206119 80207685 1 BrClFC12H13 ABCD12E13 -58.19 2.96 -9.7 -0.55 0