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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30073 839462 1 SCl2N2O2H8C11 AB2C2D2E8F11 -27.35 2.02 -9.61 -1.39 0
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30074 839465 1 NO4H17C18 AB4C17D18 -118.57 2.98 -9.03 -0.1 0
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30075 839467 1 NCl2O3H11C16 AB2C3D11E16 -74.18 6.24 -9.11 -1.46 0
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30076 839469 1 NCl2O3H11C16 AB2C3D11E16 -70.62 3.23 -9.51 -1.57 0
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30077 839482 1 ClSN3O4C12H12 ABC3D4E12F12 -42.98 4.57 -9.37 -2.16 0
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30078 839483 1 SN2O2C16H18 AB2C2D16E18 -50.14 6.16 -8.3 -0.94 0
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30079 839484 1 N2O4C19H20 A2B4C19D20 -116.05 3.31 -9.68 -1.69 0
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30080 839496 1 BrNSO2C13H18 ABCD2E13F18 -79.24 4.12 -9.55 -0.82 0
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30081 839508 1 NO3C17H17 AB3C17D17 -105.56 0.97 -9.01 -0.9 0
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30082 839510 1 SN3O4C15H17 AB3C4D15E17 -132.58 2.72 -8.93 -0.87 0
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30083 839520 1 SO3N4C15H18 AB3C4D15E18 -92.5 6.77 -8.88 -0.7 0
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30084 839561 1 NO6H15C18 AB6C15D18 -180.15 10.29 -9.22 -1.24 0
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30085 839680 1 OCl2N2H14C15 AB2C2D14E15 -8.78 3.47 -9.12 -0.48 0
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30086 839681 2 NOH10C11 ABC10D11 -27.77 1.98 -8.8 -0.65 0
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30087 839688 1 OSN3H15C20 ABC3D15E20 74.02 6.83 -8.47 -0.97 0
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30088 839690 1 SO2N3H11C17 AB2C3D11E17 43.0 4.42 -9.21 -1.51 0
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30089 839691 1 OSN3H15C20 ABC3D15E20 70.85 7.44 -8.47 -1.02 0
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30090 839692 1 SN4C10H12 AB4C10D12 71.15 4.96 -8.42 -0.18 0
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30091 839738 1 ClN2O2H17C19 AB2C2D17E19 3.87 5.05 -8.79 -1.18 0
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30092 839838 1 SN2O2H16C17 AB2C2D16E17 -9.26 5.02 -8.68 -1.11 1
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30093 839846 1 N2C10H13 A2B10C13 57.56 1.54 0.0 0.0 0
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30094 839878 1 N6C9H10 A6B9C10 134.34 7.98 -9.34 -1.22 0
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30095 839885 1 OSN3C18H21 ABC3D18E21 11.04 5.19 -8.34 -0.57 0
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30096 839908 1 BrSN2O2H9C11 ABC2D2E9F11 20.52 3.62 -8.88 -1.07 0
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30097 839918 1 ON3C11H13 AB3C11D13 30.23 2.1 -9.29 -0.66 0
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30098 839925 1 ClSN3O3H8C12 ABC3D3E8F12 43.56 4.91 -9.39 -1.81 0
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30099 839927 1 O2N3C16H17 A2B3C16D17 -4.07 4.06 -8.7 -0.63 0
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30100 839929 1 N2O3C15H16 A2B3C15D16 -47.11 1.87 -8.74 -0.51 0
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30101 839935 1 OSCl3N3C11H14 ABC3D3E11F14 -38.9 2.66 -9.66 -1.31 0
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30102 839973 1 SO2N4H10C11 AB2C4D10E11 6.96 8.32 -8.7 -1.6 0
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30103 839974 1 N2O4C19H24 A2B4C19D24 -104.97 1.49 -8.3 -0.78 0
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30104 839975 1 N2O4C19H24 A2B4C19D24 -109.01 6.39 -9.02 -0.98 0
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30105 839980 2 NOH5C6 ABC5D6 -29.64 5.48 -9.11 -1.1 0
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30106 839982 1 ON2C19H24 AB2C19D24 -13.82 7.73 -9.59 -0.93 0
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30107 839983 1 O3N4H10C11 A3B4C10D11 21.46 3.73 -9.22 -1.68 0
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30108 839985 1 NO2H17C18 AB2C17D18 -52.62 3.67 -8.86 -1.24 0
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30109 839988 2 ON2H8C9 AB2C8D9 -10.54 8.56 -8.59 -1.35 0
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30110 839991 1 SO4H14C17 AB4C14D17 -84.76 3.84 -8.62 -1.09 0
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30111 839992 1 ON2Cl3H9C15 AB2C3D9E15 17.71 0.67 -9.52 -1.37 0
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30112 839996 1 ClN2O4H9C15 AB2C4D9E15 -32.05 2.03 -9.68 -2.5 0
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30113 839997 1 NCl2O2H9C11 AB2C2D9E11 -79.42 4.4 -9.74 -0.88 0
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30114 840003 1 N2O3H16C17 A2B3C16D17 -86.11 9.33 -9.41 -0.96 0
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30115 840004 1 N2O3C12H14 A2B3C12D14 -37.96 7.27 -10.16 -1.57 0
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30116 840005 1 ClNO3H14C15 ABC3D14E15 -87.94 7.84 -8.79 -0.51 0
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30117 840025 1 SN2O4C10H14 AB2C4D10E14 -161.96 3.84 -8.44 -0.88 0
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30118 840026 2 ON2C9H10 AB2C9D10 23.2 4.3 -8.71 -0.19 0
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30119 840074 1 SN2O2C12H12 AB2C2D12E12 -28.4 4.81 -8.88 -1.38 0
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30120 840108 1 ClN3O4H8C11 AB3C4D8E11 -16.83 5.47 -10.16 -1.35 1
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30121 840144 1 N3O4C10H14 A3B4C10D14 -78.33 3.59 0.0 0.0 0
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30122 840147 2 O2N3H4C5 A2B3C4D5 75.62 4.96 -9.93 -1.86 0
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30123 840156 1 NO3C11H21 AB3C11D21 -157.07 2.97 -8.99 1.91 0
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30124 840164 1 NO2H11C12 AB2C11D12 4.41 5.12 -8.95 -0.88 0
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30125 840182 1 OS2N3H9C10 AB2C3D9E10 48.86 2.71 -9.31 -1.25 0
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30126 840186 1 O3N4C18H20 A3B4C18D20 -18.29 5.12 -8.73 0.13 0
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30127 840200 1 N2Cl3O3C11H13 A2B3C3D11E13 -103.6 3.6 -9.3 -0.78 0
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30128 840204 1 NO6C15H17 AB6C15D17 -235.15 3.4 -9.34 -1.22 0
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30129 840205 1 FNOSCl3H9C10 ABCDE3F9G10 -82.67 2.78 -9.39 -0.95 0
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30130 840207 1 FNOSCl3H9C10 ABCDE3F9G10 -83.42 0.9 -9.41 -0.92 0
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30131 840210 1 ClO3N4C12H15 AB3C4D12E15 -9.32 8.84 -9.17 -1.59 0
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30132 840211 1 FON2Cl4H9C10 ABC2D4E9F10 -98.09 3.01 -8.92 -0.81 0
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30133 840219 2 NOC5H5 ABC5D5 -62.17 3.19 -9.05 -0.29 0
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30134 840227 1 OSN2C17H18 ABC2D17E18 33.07 3.39 -8.7 -0.94 0
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30135 840228 1 N2O2C21H24 A2B2C21D24 -5.3 4.16 -8.79 -0.51 0
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30136 840245 1 SN2O3C15H18 AB2C3D15E18 -104.34 5.5 -8.52 -0.4 0
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30137 840247 1 OS2N3C14H19 AB2C3D14E19 -24.97 2.06 -8.47 -0.76 0
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30138 840250 1 SO2N3C17H19 AB2C3D17E19 -51.41 3.87 -8.58 -1.11 0
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30139 840263 1 NO2H17C18 AB2C17D18 -21.03 6.59 -9.03 -0.56 0
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30140 840271 1 ClN2O3H15C16 AB2C3D15E16 -87.79 6.66 -9.19 -0.78 0
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30141 840282 1 NO2C18H21 AB2C18D21 -61.47 2.76 -8.48 0.03 0
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30142 840283 1 NO2C18H21 AB2C18D21 -61.56 1.6 -8.56 0.08 0
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30143 840295 1 ClNO2C16H16 ABC2D16E16 -51.8 1.24 -9.03 -0.37 0
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30144 840296 1 ClNO2C16H16 ABC2D16E16 -51.42 1.12 -9.02 -0.34 0
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30145 840305 1 N2O3C12H12 A2B3C12D12 -36.49 8.21 -9.24 -0.59 0
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30146 840313 1 FOSN3H8C11 ABCD3E8F11 8.34 2.37 -9.66 -1.35 0
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30147 840319 1 NS2C8H13 AB2C8D13 16.92 2.64 -8.66 -0.45 0