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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430018 135170075 1 N2F3O3H15C17 A2B3C3D15E17 -222.43 4.92 -9.67 -1.3 0
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430019 135170076 1 ClN2O3C17H19 AB2C3D17E19 -68.2 5.49 -8.63 -0.72 0
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430020 135170077 1 N2O3C16H16 A2B3C16D16 -64.18 4.97 -9.16 -1.03 0
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430021 135170078 1 N2O3C17H20 A2B3C17D20 -60.62 6.41 -8.78 -0.7 0
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430022 135170079 1 N2O3C17H18 A2B3C17D18 -72.56 6.12 -9.08 -0.83 0
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430023 135170080 1 N3O3C10H13 A3B3C10D13 -4.97 3.29 -9.59 -0.65 0
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430024 135170081 1 NF2O3H15C17 AB2C3D15E17 -161.79 3.74 -9.69 -1.09 0
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430025 135170082 1 NO3F4H15C18 AB3C4D15E18 -276.39 5.2 -9.8 -1.11 0
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430026 135170083 1 FNO3C18H18 ABC3D18E18 -122.14 5.9 -8.86 -0.87 0
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430027 135170084 1 FNO3H16C17 ABC3D16E17 -113.39 3.53 -9.56 -1.03 0
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430028 135170085 1 NS2O3C10H19 AB2C3D10E19 -129.19 7.26 -8.63 -0.94 0
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430029 135170086 1 NS2O3C10H17 AB2C3D10E17 -101.05 7.14 -8.65 -0.95 0
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430030 135170087 1 ON3H17C20 AB3C17D20 66.19 1.62 -8.21 -1.52 0
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430031 135170088 1 ON5H13C20 AB5C13D20 106.97 4.24 -8.77 -1.39 0
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430032 135170089 1 NSO2C9H13 ABC2D9E13 -56.22 1.12 -8.79 -0.58 0
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430033 135170090 1 OSN2C16H18 ABC2D16E18 -2.33 3.42 -8.76 -0.53 0
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430034 135170091 1 ON4H18C23 AB4C18D23 95.86 4.29 -8.32 -1.4 0
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430035 135170092 1 FSN4O4C18H23 ABC4D4E18F23 -78.84 2.41 -8.73 -0.66 0
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430036 135170093 1 FSN2O2C26H27 ABC2D2E26F27 -57.62 3.11 -8.57 -0.54 0
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430037 135170094 1 O9C56H104 A9B56C104 -578.64 2.86 -9.43 0.73 0
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430038 135170095 1 SO6C37H50 AB6C37D50 -274.55 7.81 -9.54 -0.73 0
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430039 135170096 1 SO6C37H56 AB6C37D56 -337.72 3.12 -9.67 -0.68 0
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430040 135170097 1 O3C19H30 A3B19C30 -161.93 4.28 -9.26 -0.05 0
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430041 135170098 1 O3C20H32 A3B20C32 -166.66 4.25 -9.22 -0.05 0
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430042 135170099 1 SO3C36H50 AB3C36D50 -68.04 5.11 -8.65 -0.42 1
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430043 135170100 1 SN4O5C42H49 AB4C5D42E49 -125.42 11.37 0.0 0.0 0
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430044 135170101 1 ON4H12C17 AB4C12D17 85.02 7.69 -7.92 -1.34 0
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430045 135170102 1 ON3C20H21 AB3C20D21 14.86 4.05 -8.63 -0.92 0
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430046 135170103 1 SO11H22C26 AB11C22D26 -257.98 11.84 -9.9 -2.69 0
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430047 135170104 1 SO11H20C21 AB11C20D21 -310.97 6.33 -9.88 -2.16 0
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430048 135170105 1 FNOSC17H18 ABCDE17F18 -58.43 2.62 -8.71 -0.44 0
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430049 135170106 1 O2N3C17H31 A2B3C17D31 -109.54 4.78 -8.74 0.92 0
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430050 135170107 1 ON3C13H25 AB3C13D25 -37.6 2.42 -8.53 1.15 0
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430051 135170108 1 ON3C20H21 AB3C20D21 25.95 5.82 -7.92 -1.1 0
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430052 135170109 1 OSN2C13H22 ABC2D13E22 -0.07 3.48 -8.63 0.57 0
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430053 135170110 1 OF2N3C15H25 AB2C3D15E25 -153.8 4.3 -8.68 0.94 0
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430054 135170111 1 ON3H17C20 AB3C17D20 66.61 4.37 -8.22 -1.49 0
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430055 135170112 1 OSN2C17H22 ABC2D17E22 0.85 4.46 -8.29 -0.2 0
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430056 135170113 1 PO2C17H27 AB2C17D27 -120.54 2.04 -8.68 0.1 0
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430057 135170114 1 NO3C10H19 AB3C10D19 -178.31 3.78 -10.23 0.34 0
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430058 135170115 1 O3N4C20H32 A3B4C20D32 -128.53 2.13 -9.06 0.68 0
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430059 135170116 1 OF2N2C13H26 AB2C2D13E26 -152.18 2.85 -8.62 1.68 0
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430060 135170117 1 ClO2N5C26H30 AB2C5D26E30 -24.8 2.68 -8.65 -0.66 0
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430061 135170118 1 N3O3C23H39 A3B3C23D39 -90.04 2.75 -8.67 0.96 0
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430062 135170119 1 O3N5C21H35 A3B5C21D35 -119.69 5.1 -8.57 0.33 0
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430063 135170120 1 O2N3C24H33 A2B3C24D33 -31.22 1.7 -7.83 -0.1 0
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430064 135170121 1 O3N4C23H38 A3B4C23D38 -149.72 3.69 -8.9 0.9 0
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430065 135170122 2 N2O2C11H18 A2B2C11D18 -138.49 0.79 -8.94 0.63 0
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430066 135170123 1 N3O4C22H39 A3B4C22D39 -202.88 3.39 -8.68 0.91 0
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430067 135170124 1 ON3C20H21 AB3C20D21 14.72 5.9 -8.62 -1.01 0