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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413058 135086002 1 NOC15H16 ABC15D16 8.19 2.64 0.0 0.0 1
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413059 135086003 1 ClNF3H12C15 ABC3D12E15 -125.39 4.35 0.0 0.0 0
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413060 135086004 1 ClNF3H11C15 ABC3D11E15 -110.76 4.45 -9.57 -0.84 0
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413061 135086005 2 O4C7H8 A4B7C8 -292.99 4.25 -9.83 -0.68 0
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413062 135086006 1 NSO9C25H25 ABC9D25E25 -307.56 6.93 -8.77 -0.87 0
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413063 135086007 1 NBr2O2C13H15 AB2C2D13E15 -62.77 4.33 -9.86 -0.98 0
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413064 135086008 1 OC21H36 AB21C36 -68.36 1.36 -9.1 1.42 0
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413065 135086009 1 N2O5C14H14 A2B5C14D14 -110.75 3.55 -9.22 -1.22 0
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413066 135086010 1 BrSiN2C24H35 ABC2D24E35 22.44 2.93 -8.3 -0.25 0
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413067 135086011 1 IN2O2C15H17 AB2C2D15E17 -4.46 5.06 -8.87 -1.33 0
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413068 135086012 1 IN2O2C17H19 AB2C2D17E19 9.65 4.32 -8.94 -1.55 0
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413069 135086013 1 BrN2C23H23 AB2C23D23 107.52 2.24 -8.42 -0.35 0
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413070 135086014 1 N2O4H18C21 A2B4C18D21 -51.56 7.56 -8.72 -0.95 0
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413071 135086015 1 BrN2F3H8C12 AB2C3D8E12 -104.54 3.92 -9.13 -1.2 0
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413072 135086016 1 NO3H17C20 AB3C17D20 -48.73 2.56 -8.77 -0.96 0
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413073 135086017 1 BrN2C18H21 AB2C18D21 80.32 2.73 -8.36 -0.32 0
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413074 135086018 1 N2F3C18H21 A2B3C18D21 -133.04 3.03 -8.23 0.24 0
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413075 135086019 1 N4H16C23 A4B16C23 139.58 2.48 -8.82 -0.87 0
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413076 135086020 1 FNSO2H12C15 ABCD2E12F15 -24.51 5.82 -8.6 -0.36 0
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413077 135086021 1 ClNSO2H12C15 ABCD2E12F15 13.13 6.39 -8.58 -0.44 0
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413078 135086022 1 N3O5C19H19 A3B5C19D19 -59.79 5.4 -8.05 -1.49 1
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413079 135086023 1 N4H13C14 A4B13C14 145.82 2.15 0.0 0.0 1
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413080 135086024 1 N4H15C18 A4B15C18 155.65 3.29 0.0 0.0 1
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413081 135086025 1 N4C14H15 A4B14C15 109.0 2.38 0.0 0.0 0
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413082 135086026 1 BrNOSH8C13 ABCDE8F13 42.81 2.04 -8.89 -1.2 0
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413083 135086027 1 NSO2H15C16 ABC2D15E16 13.78 4.29 -8.48 -0.24 0
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413084 135086028 1 BrOC14H17 ABC14D17 -5.32 3.84 -9.68 -0.27 0
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413085 135086029 1 ClFOS2H14C19 ABCD2E14F19 -9.73 4.79 -8.84 -0.99 0
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413086 135086030 1 NO3C10H17 AB3C10D17 -128.62 1.85 -9.12 0.74 0
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413087 135086031 1 O3C12H20 A3B12C20 -144.44 1.83 -9.73 0.3 0
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413088 135086032 1 O3C14H16 A3B14C16 -94.53 3.68 -9.84 -0.69 0
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413089 135086033 1 BO2C13H27 AB2C13D27 -184.58 1.84 -9.59 1.09 0
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413090 135086034 1 O3C10H10 A3B10C10 -47.65 3.75 -9.82 -0.24 0
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413091 135086035 1 SN2O3C7H10 AB2C3D7E10 -80.94 3.87 -8.97 -0.06 0
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413092 135086036 1 NOC13H15 ABC13D15 1.49 4.71 -9.18 -0.91 0
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413093 135086037 1 INOC12H20 ABCD12E20 -48.22 3.5 -9.18 -0.99 0
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413094 135086038 1 BrNSO2C12H18 ABCD2E12F18 -10.52 5.3 -9.82 -1.83 0
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413095 135086039 1 SN4O4H16C20 AB4C4D16E20 90.43 9.61 -9.43 -1.75 0
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413097 135086041 1 SN2O4C15H20 AB2C4D15E20 -99.1 4.7 -8.98 -0.4 0
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413098 135086042 1 SN2O4C15H20 AB2C4D15E20 -96.81 4.55 -8.72 -0.32 0
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413099 135086043 1 N4O6C25H30 A4B6C25D30 -160.76 3.8 -8.68 -0.48 0
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413100 135086044 1 BrN4O4C22H25 AB4C4D22E25 -63.99 4.01 -8.8 -0.33 0
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413101 135086045 1 O3N4H6C9 A3B4C6D9 81.25 4.95 -10.23 -1.98 0
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413102 135086046 2 NO2H7C8 AB2C7D8 -53.9 4.62 -9.64 -0.86 0
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413103 135086047 1 NO4H15C17 AB4C15D17 -65.99 4.79 -9.3 -1.02 0
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413104 135086048 1 NOSC13H17 ABCD13E17 23.73 3.61 -8.39 0.06 0
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413105 135086049 1 NSSiO2C24H33 ABCD2E24F33 -41.83 4.31 -8.45 0.16 0
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413106 135086050 1 NSO4C21H31 ABC4D21E31 -163.85 5.85 -10.05 -0.62 0
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413107 135086051 1 ClNC13H16 ABC13D16 40.14 3.98 -8.34 -0.19 0
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413108 135086052 1 SO2N4H26C27 AB2C4D26E27 114.82 6.49 -8.54 -0.54 0
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413109 135086053 1 NO2C14H17 AB2C14D17 -33.55 3.59 -8.62 -0.3 0
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413110 135086054 1 NO2C16H21 AB2C16D21 -62.89 5.68 -9.65 0.04 0
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413111 135086055 1 N2O4C17H20 A2B4C17D20 -24.12 4.89 -9.77 -1.38 0
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413112 135086056 1 O7C23H24 A7B23C24 -126.12 3.84 -8.55 -0.49 0
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413113 135086057 1 SO3C10H10 AB3C10D10 -62.49 8.06 -9.45 -0.19 0
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413114 135086058 1 NH9C12 AB9C12 117.68 4.46 -9.59 -0.46 0
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413115 135086059 1 OSiC12H20 ABC12D20 -103.31 1.77 -8.74 0.6 0
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413116 135086060 1 BSiO3C18H25 ABC3D18E25 -212.0 1.32 -9.05 0.07 0
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413117 135086061 1 BrN2O2H13C16 AB2C2D13E16 -11.77 3.82 -9.07 -0.99 0
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413118 135086062 1 N2O3H16C18 A2B3C16D18 -55.15 2.81 -9.07 -1.13 0
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413119 135086063 1 FOH15C18 ABC15D18 -32.68 4.1 -9.62 -0.66 0
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413120 135086064 1 O4C21H22 A4B21C22 -99.14 6.81 -8.27 -0.32 0
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413121 135086065 1 OSF3H15C20 ABC3D15E20 -116.13 7.38 -8.27 -0.72 0
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413122 135086066 1 OF4H10C16 AB4C10D16 -177.36 4.0 -9.93 -1.07 0
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413123 135086067 1 OSF3H9C14 ABC3D9E14 -124.82 3.66 -9.36 -1.11 0
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413124 135086068 2 O3C9H11 A3B9C11 -208.64 0.69 -8.61 -0.04 7
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413126 135086070 1 NO2F3C12H12 AB2C3D12E12 -212.75 6.0 -9.0 -0.39 0
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413127 135086071 1 Cl2O3H14C21 A2B3C14D21 -48.19 0.93 -9.67 -0.76 0
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413128 135086072 1 FO3H17C22 AB3C17D22 -90.75 3.2 -9.61 -0.57 0
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413130 135086074 1 O4C19H24 A4B19C24 -105.52 3.56 -9.46 0.14 0
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413131 135086075 1 SN2O6C16H18 AB2C6D16E18 -48.03 2.11 -10.4 -2.1 0
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413132 135086076 1 NSO4C17H21 ABC4D17E21 -82.93 5.83 -9.73 -0.67 0
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413133 135086077 1 SN2O4C17H18 AB2C4D17E18 -24.66 4.05 -9.57 -1.95 0
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413134 135086078 1 SiF2O2C20H20 AB2C2D20E20 -138.94 2.76 -9.54 -0.22 0
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413135 135086079 1 NPO3H18C21 ABC3D18E21 -76.82 3.93 -9.22 -0.53 0
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413136 135086080 1 O10C19H24 A10B19C24 -341.01 1.76 -10.57 0.03 0
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413137 135086081 1 NO4C15H17 AB4C15D17 -129.08 1.26 -9.18 -0.81 0
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413138 135086082 1 SC18H28 AB18C28 -17.42 1.83 -8.25 0.49 0
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413139 135086083 1 NO2C17H25 AB2C17D25 -82.6 5.3 -8.83 0.11 1
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413140 135086084 1 NOH14C16 ABC14D16 26.8 3.79 0.0 0.0 0
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413141 135086085 1 OC16H22 AB16C22 -39.39 2.93 -9.75 -0.02 0
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413142 135086086 1 OC17H24 AB17C24 -42.84 2.76 -9.7 -0.11 0
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413143 135086087 1 OC17H24 AB17C24 -49.68 3.68 -9.41 0.01 0
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413144 135086088 2 OH8C9 AB8C9 -23.08 4.75 -8.84 -0.68 0
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413145 135086089 1 O2C17H24 A2B17C24 -78.22 1.84 -9.04 -0.14 0
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413146 135086090 1 Cl2O3H10C12 A2B3C10D12 -104.94 3.06 -9.65 -1.2 0
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413147 135086091 1 FO3C13H15 AB3C13D15 -162.38 2.23 -10.27 -0.94 0
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413148 135086092 1 ClO2C22H33 AB2C22D33 -124.16 1.87 -9.3 0.39 0
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413149 135086093 1 O4C29H32 A4B29C32 -42.99 5.15 -9.21 -0.37 0
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413150 135086094 1 ClSO3H13C15 ABC3D13E15 -77.77 3.03 -9.61 -0.49 0
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413151 135086095 1 ClSO3H13C15 ABC3D13E15 -78.46 5.72 -9.48 -0.55 0
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413152 135086096 1 NO4C16H21 AB4C16D21 -89.27 5.63 -9.26 0.01 0
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413153 135086098 1 O4C15H16 A4B15C16 -94.81 2.62 -9.48 -0.39 0
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413154 135086099 1 OC16H28 AB16C28 -69.62 2.96 -9.26 1.1 0
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413155 135086100 1 N2O2C15H18 A2B2C15D18 -31.4 7.89 -8.23 -0.36 0
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413156 135086101 1 NO3C17H19 AB3C17D19 -80.11 4.31 -8.59 -0.68 0
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413157 135086102 1 NOH19C20 ABC19D20 38.41 2.36 -8.16 -0.34 0
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413158 135086103 1 NOC15H17 ABC15D17 7.01 1.16 -8.07 -0.08 0
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413159 135086104 1 ON2C14H16 AB2C14D16 5.63 4.54 -8.29 -0.28 0
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413160 135086105 1 N2O5H10C17 A2B5C10D17 -103.51 5.93 -9.49 -1.89 1