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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400064 135044953 1 NOSH13C16 ABCD13E16 72.33 2.36 -9.04 -0.72 0
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400065 135044987 1 ZrO4C11H20 AB4C11D20 -162.79 2.85 -6.12 -0.59 0
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400066 135044988 1 O4C11H20 A4B11C20 -190.62 1.85 -8.51 0.85 0
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400067 135044993 1 ClFNOSH9C13 ABCDEF9G13 -8.55 1.43 -8.82 -0.85 0
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400068 135044998 1 NO2H13C15 AB2C13D15 -39.27 3.64 -9.54 -0.81 0
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400069 135045011 1 SO10C23H26 AB10C23D26 -367.65 4.95 -9.17 -1.52 0
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400070 135045020 1 N2O2C15H16 A2B2C15D16 -42.29 3.13 -9.86 -1.01 0
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400071 135045028 1 BrOSN5C10H12 ABCD5E10F12 11.19 4.18 -8.84 -1.11 0
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400072 135045030 1 BrClNH11C14 ABCD11E14 51.09 1.53 -8.68 -0.3 0
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400073 135045036 1 FN2H7C9 AB2C7D9 25.16 1.81 -9.14 -0.72 0
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400074 135045044 1 O3C17H22 A3B17C22 -141.17 4.0 -9.74 -0.58 0
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400075 135045047 1 BrOC25H27 ABC25D27 7.51 3.36 -9.19 -0.13 0
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400076 135045055 1 NSeO3H7C11 ABC3D7E11 -32.19 9.5 -8.31 -1.39 0
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400077 135045105 1 ZrO4C13H22 AB4C13D22 -124.74 3.67 -6.54 -0.76 0
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400078 135045107 1 O4C15H22 A4B15C22 -177.04 6.37 -9.64 -0.08 1
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400079 135045117 1 BrN2C9H10 AB2C9D10 34.38 5.0 0.0 0.0 0
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400080 135045131 1 NOBr2H11C12 ABC2D11E12 20.49 1.64 -9.8 -0.87 0
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400081 135045161 1 NO2C16H17 AB2C16D17 -42.98 2.63 -8.85 -0.24 0
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400082 135045171 1 INOSC11H14 ABCDE11F14 15.35 4.15 -8.37 -1.01 0
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400083 135045172 1 NSO2C16H25 ABC2D16E25 -58.51 1.99 -8.81 0.02 0
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400084 135045180 1 NSO4C14H15 ABC4D14E15 -103.82 2.93 -8.89 -1.03 0
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400085 135045194 1 NOC16H25 ABC16D25 -69.52 2.83 -8.54 0.78 -1
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400086 135045198 1 N2O4H5C9 A2B4C5D9 -18.17 4.18 0.0 0.0 0
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400087 135045238 1 ClN2H11C12 AB2C11D12 66.88 3.62 -10.2 -0.43 0
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400088 135045242 1 SO3C15H22 AB3C15D22 -118.81 9.95 -7.71 0.3 0
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400089 135045243 4 OC3H3 AB3C3 -138.52 6.25 -10.4 -1.01 0
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400090 135045262 1 N2O3C11H22 A2B3C11D22 -178.47 2.69 -9.6 0.85 0
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400091 135045302 1 ON2C15H16 AB2C15D16 18.51 2.21 -9.37 -0.35 0
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400093 135045346 1 NOC12H20 ABC12D20 -21.25 3.09 0.0 0.0 0
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400094 135045363 1 NPO2C12H18 ABC2D12E18 -108.09 3.03 -7.98 0.76 0
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400095 135045388 1 NC12H13 AB12C13 49.95 1.47 -9.16 0.11 0
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400096 135045415 1 ClO2C13H19 AB2C13D19 -102.82 3.01 -9.46 -0.08 0
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400097 135045418 1 NSO2C15H21 ABC2D15E21 -45.54 6.43 -9.51 -0.46 0
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400098 135045423 1 NO2C14H19 AB2C14D19 -43.65 2.44 -8.79 0.07 0
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400100 135045438 1 N4C15H20 A4B15C20 41.17 3.23 -8.27 0.13 0
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400101 135045446 1 FNH16C17 ABC16D17 16.13 2.94 -8.48 0.07 0
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400102 135045450 1 NSO3C14H17 ABC3D14E17 -57.27 7.48 -9.14 -0.63 0
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400103 135045458 1 NO2C13H17 AB2C13D17 6.03 3.23 -7.94 -0.11 0
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400104 135045460 1 BrO2C15H19 AB2C15D19 -73.07 4.08 -9.72 -0.61 0
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400106 135045493 1 FOSH11C16 ABCD11E16 -26.9 3.08 -8.94 -1.1 0
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400107 135045506 1 NO2C13H21 AB2C13D21 -125.06 4.0 -10.18 0.14 0
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400108 135045535 1 ON2H12C14 AB2C12D14 101.39 5.43 -9.48 -1.07 0
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400109 135045539 2 N3O3C18H26 A3B3C18D26 -189.64 7.44 -9.47 -1.64 0
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400110 135045565 1 O2C9H14 A2B9C14 -64.32 2.65 -8.89 0.33 0
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400111 135045573 1 OS2H8C13 AB2C8D13 36.72 3.56 -8.97 -1.09 0
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400112 135045576 2 O2C7H7 A2B7C7 -99.54 4.21 -9.79 -1.79 0
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400113 135045590 1 O2N3C13H15 A2B3C13D15 -35.88 5.19 -9.2 -0.82 0
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400114 135045596 1 ClN2O2H11C12 AB2C2D11E12 -35.57 3.07 -8.41 -1.05 0
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400115 135045597 1 FeSnC22H36 ABC22D36 224.78 11.56 -6.18 -1.17 -1
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400117 135045600 1 O2Si2C17H28 A2B2C17D28 -159.49 1.77 -9.17 0.0 0
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400118 135045614 1 NC14H19 AB14C19 18.44 2.39 -8.18 0.53 0
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400119 135045619 1 OSN3H11C13 ABC3D11E13 48.91 6.08 -9.39 -1.1 0
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400120 135045668 1 BrFOC12H12 ABCD12E12 -58.07 4.18 -8.91 -0.12 0
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400121 135045687 1 ClOSN2H9C14 ABCD2E9F14 28.49 5.24 -8.54 -1.51 0
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400122 135045692 1 O5C15H28 A5B15C28 -252.89 1.58 -9.8 0.18 0
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400123 135045725 1 FOSN2H9C14 ABCD2E9F14 -9.34 5.06 -8.52 -1.49 0
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400124 135045729 1 NO4C13H17 AB4C13D17 -162.66 4.67 -9.7 -0.35 0
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400125 135045753 1 O3C15H20 A3B15C20 -87.18 2.95 -9.48 0.23 0
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400126 135045773 1 BrO2C13H15 AB2C13D15 -54.4 4.55 -8.27 0.0 0
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400127 135045786 1 O2C15H24 A2B15C24 -109.02 5.08 -9.59 0.74 0
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400128 135045801 1 O2C9H18 A2B9C18 -99.09 0.55 -10.11 1.2 0
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400129 135045825 1 OSN2H12C14 ABC2D12E14 39.26 1.39 -8.87 -0.8 0
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400130 135045826 2 O3C15H17 A3B15C17 -189.07 5.07 -9.19 0.13 0
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400131 135045831 1 SO2C10H14 AB2C10D14 -51.04 3.17 -8.45 -0.09 0
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400132 135045842 1 AgClSP2O4H24C26 ABCD2E4F24G26 -118.63 25.81 -8.71 -4.09 -2
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400134 135045851 1 BrCuLi2Si2C16H22 ABC2D2E16F22 65.16 23.23 -4.86 -0.76 0
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400135 135045859 1 CuNC16H16 ABC16D16 129.89 3.4 -7.71 0.33 0
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400136 135045861 1 SN2O2C23H38 AB2C2D23E38 -90.64 7.18 -8.98 -0.21 0
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400137 135045884 1 CuNSSiLi2C17H26 ABCDE2F17G26 89.44 2.37 -7.36 0.03 0
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400138 135045899 1 ZnAg2C2H4Te4O6F20 AB2C2D4E4F6G20 -2590.03 50.84 -3.69 -0.35 0
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400139 135045902 1 CuLiSi2C16H34 ABC2D16E34 16.21 3.71 -7.19 1.42 0
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400141 135045919 1 IOSZnC23H29 ABCDE23F29 157.79 5.74 -7.02 -2.12 0
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400142 135045920 1 OSC22H28 ABC22D28 -7.08 5.01 -8.22 0.07 -4
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400144 135045951 1 CuMgSiBr2H21C22 ABCD2E21F22 20.04 4.46 -8.42 -0.32 0
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400145 135045957 1 CuMgBr2C6H11 ABC2D6E11 17.47 2.85 -8.23 -0.1 0