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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399026 135037131 1 NOH15C16 ABC15D16 68.83 3.84 -9.34 -0.23 0
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399027 135037138 1 SiO4C12H24 AB4C12D24 -257.51 5.19 -9.32 0.65 0
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399028 135037139 1 BrO3C12H21 AB3C12D21 -171.22 2.3 -10.11 -0.17 0
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399029 135037143 1 SSeC6H13 ABC6D13 14.51 2.72 0.0 0.0 -1
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399031 135037161 1 N2O2C7H14 A2B2C7D14 -66.46 1.06 -9.39 -0.11 0
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399033 135037169 1 SiO2C15H20 AB2C15D20 -81.3 2.52 -9.72 -0.52 0
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399034 135037170 1 NO4C13H13 AB4C13D13 -149.06 1.04 -9.78 -0.75 1
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399035 135037174 1 O2C16H21 A2B16C21 -52.82 2.41 0.0 0.0 0
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399036 135037181 1 O3C12H16 A3B12C16 -117.62 1.74 -9.77 0.05 0
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399039 135037237 3 OC4H8 AB4C8 -184.32 3.19 -9.84 1.91 0
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399040 135037240 1 IO3C13H17 AB3C13D17 -80.58 1.48 -8.92 -0.83 0
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399042 135037255 1 SiBr2O2C10H20 AB2C2D10E20 -142.39 0.4 -8.92 -0.98 -1
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399044 135037260 2 O2C3H5 A2B3C5 -138.19 1.64 -10.33 1.2 0
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399045 135037271 1 O6C11H20 A6B11C20 -288.67 2.83 -10.27 1.08 0
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399046 135037292 1 SiO2C14H30 AB2C14D30 -178.8 3.63 -8.7 0.94 0
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399047 135037300 1 OCl3C7H7 AB3C7D7 8.35 3.26 -9.96 -0.53 0
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399048 135037311 1 N2O3C14H16 A2B3C14D16 -84.04 9.64 -9.79 -0.69 -1
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399049 135037329 1 NC11H18 AB11C18 32.42 0.88 0.0 0.0 0
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399050 135037333 1 N2Cl3O4C9H9 A2B3C4D9E9 -21.64 1.34 -10.06 -1.41 0
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399051 135037334 1 NO2C15H19 AB2C15D19 -12.14 3.94 -9.12 -0.53 0
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399052 135037336 1 FNC10H20 ABC10D20 -79.16 0.76 -8.46 2.72 -1
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399053 135037347 1 NPO2C15H17 ABC2D15E17 -55.59 5.17 0.0 0.0 0
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399054 135037360 1 ClO5H7C8 AB5C7D8 -174.47 3.97 -9.64 -1.98 0
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399055 135037376 1 ON4H8C9 AB4C8D9 34.39 1.85 -8.75 -0.81 0
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399056 135037392 1 NO9C14H25 AB9C14D25 -425.56 3.63 -10.28 -0.17 0
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399057 135037393 2 NO5C14H17 AB5C14D17 -417.23 7.08 -8.73 -0.28 -1
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399058 135037398 1 NSC13H14 ABC13D14 71.78 1.74 0.0 0.0 0
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399059 135037417 1 NO3C13H17 AB3C13D17 -101.49 2.79 -8.85 0.02 0
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399060 135037419 1 O4C13H14 A4B13C14 -159.49 3.29 -9.75 0.01 -1
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399061 135037420 1 O3C8H13 A3B8C13 -101.79 3.3 0.0 0.0 0
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399062 135037433 1 NSO3C14H17 ABC3D14E17 -104.66 5.61 -9.0 -0.48 0
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399063 135037434 1 ClFH10C15 ABC10D15 24.81 3.24 -9.4 -0.45 0
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399064 135037435 1 ClN2H11C14 AB2C11D14 62.74 3.31 -8.88 -0.89 0
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399065 135037451 1 ON3C14H19 AB3C14D19 24.89 6.48 -8.24 0.24 0
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399066 135037452 1 FO3H13C14 AB3C13D14 -131.59 3.11 -10.07 -1.01 0
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399067 135037458 1 N2O2C15H18 A2B2C15D18 -49.99 4.64 -9.58 0.15 0
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399068 135037462 1 NO3C16H23 AB3C16D23 -152.24 1.97 -8.58 0.17 0
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399069 135037483 1 NSO2C11H17 ABC2D11E17 -105.45 3.78 -9.34 -0.31 0
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399070 135037508 1 NOC12H13 ABC12D13 -25.48 3.59 -8.43 0.2 0
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399071 135037515 1 ClON2C14H15 ABC2D14E15 -8.46 7.79 -9.51 -0.29 -1
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399072 135037518 1 C4H5O6 A4B5C6 -242.1 3.38 0.0 0.0 0
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399073 135037526 1 BrOC11H17 ABC11D17 -57.74 3.27 -10.19 -0.2 0
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399074 135037528 1 KN2O3C12H13 AB2C3D12E13 -134.07 10.68 -9.27 -0.13 0
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399075 135037529 1 N2O3C12H14 A2B3C12D14 -81.18 4.57 -9.69 -0.19 0
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399076 135037530 1 NOC10H19 ABC10D19 -67.85 3.04 -8.7 2.51 0
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399077 135037531 1 O3C11H16 A3B11C16 -125.94 3.94 -10.29 0.35 0
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399078 135037532 6 OC2H3 AB2C3 -267.24 3.15 -10.22 0.14 0
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399079 135037533 1 FNH10C12 ABC10D12 31.03 3.66 -9.73 -0.24 0
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399080 135037534 1 NSiO2C14H21 ABC2D14E21 -96.31 1.5 -8.89 -0.26 0
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399081 135037540 1 NSO3C14H17 ABC3D14E17 -103.92 5.92 -8.88 -0.5 1
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399082 135037542 1 OC10H11 AB10C11 26.44 0.87 0.0 0.0 0
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399083 135037547 1 NO3C14H15 AB3C14D15 -82.89 2.94 -9.69 -0.07 0
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399084 135037570 1 NO2C8H15 AB2C8D15 -102.85 3.17 -9.24 0.56 0
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399085 135037576 1 ON3C9H15 AB3C9D15 27.95 6.45 -8.41 -0.62 0
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399086 135037587 1 LiO2C11H19 AB2C11D19 -57.54 7.96 -7.52 1.21 0
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399087 135037604 1 OC14H24 AB14C24 -56.27 2.41 -9.53 1.22 0
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399088 135037614 1 O3H10C12 A3B10C12 -31.1 2.83 -9.3 -0.75 0
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399089 135037652 1 BrN2O4C12H13 AB2C4D12E13 -149.96 4.79 -9.95 -0.41 0
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399090 135037695 1 IO5C14H21 AB5C14D21 -215.68 3.72 -9.69 -1.47 0
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399091 135037701 1 ClOC11H17 ABC11D17 -80.27 3.16 -10.07 0.58 0
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399092 135037703 1 BrN2O3C13H15 AB2C3D13E15 -119.41 2.83 -9.69 -0.29 0
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399093 135037704 1 OSN2C15H18 ABC2D15E18 10.49 4.32 -8.27 0.09 0
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399094 135037705 1 NO3C11H17 AB3C11D17 -97.46 2.92 -7.67 0.33 0
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399095 135037734 1 ClSi2O3C14H29 AB2C3D14E29 -246.8 3.8 -9.1 0.52 0
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399096 135037737 1 NO2C14H15 AB2C14D15 -43.9 4.44 -9.84 -0.11 0
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399097 135037747 2 O2C7H7 A2B7C7 -129.57 5.01 -9.84 -0.21 0
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399098 135037754 1 NSO6C12H15 ABC6D12E15 -233.31 8.77 -10.44 -1.01 0
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399099 135037757 3 OC5H6 AB5C6 -110.13 3.79 -9.26 0.15 0
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399100 135037777 1 NO2C14H17 AB2C14D17 -48.92 2.35 -8.9 -0.26 0
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399101 135037778 1 SiO2C12H26 AB2C12D26 -158.64 1.74 -9.49 1.07 0
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399102 135037784 1 O7C35H36 A7B35C36 -186.29 3.62 -8.3 -0.3 0
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399103 135037809 1 OC13H18 AB13C18 -23.54 1.92 -9.26 0.44 0
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399104 135037814 1 IC11H17 AB11C17 15.88 1.38 -9.04 -0.67 0
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399105 135037818 1 O2C15H22 A2B15C22 -106.88 5.21 -9.95 -0.19 0
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399107 135037827 10 CH2 AB2 -49.54 0.1 -10.41 4.02 0
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399108 135037828 1 OC19H30 AB19C30 -62.47 4.27 -9.57 -0.08 0
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399109 135037829 1 O3C13H16 A3B13C16 -133.0 1.9 -9.67 -0.69 0
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399110 135037835 1 NF2O2C11H19 AB2C2D11E19 -193.39 2.22 -9.36 0.15 0
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399111 135037836 1 O3C19H36 A3B19C36 -193.2 0.33 -9.9 1.27 0
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399112 135037841 1 O5C9H16 A5B9C16 -204.98 1.69 -9.7 0.0 0
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399114 135037872 1 O7H18C20 A7B18C20 -204.59 5.27 -8.74 -0.96 0
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399115 135037897 1 OSeSiC17H28 ABCD17E28 -87.58 1.74 -8.51 -0.2 0
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399116 135037912 1 O3C9H16 A3B9C16 -47.45 2.36 -9.59 0.74 0
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399117 135037916 1 NO3C15H25 AB3C15D25 -141.82 5.53 -7.93 0.2 0
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399118 135037926 1 N2O5C9H16 A2B5C9D16 -226.44 3.87 -9.88 0.21 0
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399119 135037928 1 O2C9H14 A2B9C14 -80.38 3.49 -9.53 0.13 0
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399120 135037978 4 OC4H5 AB4C5 -162.57 3.61 -9.82 -0.75 0
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399121 135037986 1 O2C11H18 A2B11C18 -123.41 1.73 -10.13 2.61 0
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399122 135037998 1 O4C11H12 A4B11C12 -148.87 3.89 -9.93 -0.18 0
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399123 135038007 1 NO4C15H17 AB4C15D17 -140.94 5.79 -9.56 -0.75 0
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399124 135038008 2 OC6H10 AB6C10 -137.29 0.58 -10.03 2.6 0
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399125 135038033 2 O2C8H11 A2B8C11 -174.31 4.94 -9.64 0.06 0
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399126 135038040 1 NS2O4C13H25 AB2C4D13E25 -224.19 2.38 -8.92 -1.06 0
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399127 135038041 1 NO4C10H17 AB4C10D17 -179.36 5.42 -10.15 0.4 0
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399128 135038042 3 NOC2H3 ABC2D3 -64.84 5.71 -10.62 -0.59 0
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399129 135038055 1 ClNSBr2C3 ABCD2E3 46.33 2.19 -9.72 -1.46 0
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399130 135038060 1 ON4C10H20 AB4C10D20 -47.1 5.14 -8.52 0.51 0
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399131 135038061 2 N2C3H5 A2B3C5 72.89 3.84 -9.61 -0.27 0
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399132 135038067 1 NO2C14H19 AB2C14D19 -63.88 2.44 -9.62 0.03 0
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399133 135038070 1 SiC15H20 AB15C20 21.21 1.16 -9.1 0.27 0