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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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431996 135172124 1 N2O5C28H32 A2B5C28D32 -148.75 1.81 -8.63 -0.56 0
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431997 135172125 1 N3O9C45H47 A3B9C45D47 -258.09 5.89 -8.52 -0.73 0
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431998 135172126 1 N3O4C25H41 A3B4C25D41 -218.08 1.94 -8.26 0.28 0
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431999 135172127 1 SO2F3N5C22H32 AB2C3D5E22F32 -205.39 8.27 -9.03 -1.43 0
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432000 135172128 1 O3N5C23H31 A3B5C23D31 -69.32 8.39 -8.7 -0.48 0
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432001 135172129 1 O4N5C23H33 A4B5C23D33 -147.48 4.34 -8.95 -0.58 0
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432002 135172130 2 O2N3C11H16 A2B3C11D16 -121.3 6.73 -8.67 -0.97 0
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432003 135172131 1 N3O3C29H43 A3B3C29D43 -124.34 2.42 -8.2 0.02 0
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432004 135172132 1 N3O3C29H43 A3B3C29D43 -124.48 2.86 -8.21 -0.01 0
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432005 135172133 1 NO2C12H25 AB2C12D25 -90.88 1.19 -8.92 1.69 0
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432006 135172134 1 O2F3N5C21H30 A2B3C5D21E30 -206.42 4.89 -8.62 -0.75 0
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432007 135172135 2 N2O2C11H13 A2B2C11D13 19.96 5.42 -8.69 -1.43 0
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432008 135172136 1 SF3O4N5C30H36 AB3C4D5E30F36 -259.47 3.5 -8.7 -1.42 0
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432009 135172137 1 SO2F3N5C25H28 AB2C3D5E25F28 -154.99 3.2 -9.1 -1.34 0
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432010 135172142 1 N3O6C25H37 A3B6C25D37 -198.76 3.56 -9.08 -1.4 0
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432011 135172143 1 Cl2O4N8H28C29 A2B4C8D28E29 -7.37 6.13 -8.5 -0.7 0
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432012 135172144 1 NSO2C8H11 ABC2D8E11 -65.54 2.97 -9.77 -0.46 0
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432013 135172145 1 SO2F3N3C27H30 AB2C3D3E27F30 -189.62 7.13 -8.82 -1.08 0
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432014 135172146 1 SF3O4N5C27H38 AB3C4D5E27F38 -286.95 6.8 -9.28 -1.4 0
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432015 135172147 1 SF3O4N5C27H38 AB3C4D5E27F38 -293.96 5.67 -8.96 -1.18 0
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432016 135172148 1 ClN3O3C25H34 AB3C3D25E34 -113.56 3.29 -8.57 -0.5 0
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432017 135172149 1 ClON2C7H9 ABC2D7E9 -33.94 2.68 -8.76 -0.27 0
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432018 135172150 1 NOC11H19 ABC11D19 -59.63 3.82 -9.66 1.25 0
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432019 135172151 1 F3O3N6H37C38 A3B3C6D37E38 -116.72 8.07 -8.5 -0.71 0
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432020 135172152 3 O2C9H16 A2B9C16 -346.96 1.04 -10.04 -0.28 0
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432021 135172153 1 N2O2C19H22 A2B2C19D22 23.52 3.64 -9.35 -0.28 0
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432022 135172154 1 FN2O3C21H33 AB2C3D21E33 -184.53 4.74 -7.91 0.21 1
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432023 135172155 1 NC2P2O6H10 AB2C2D6E10 -350.18 1.5 0.0 0.0 0
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432024 135172156 1 O2N3C21H35 A2B3C21D35 -103.3 1.48 -8.26 0.29 0
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432025 135172157 1 N2O5C28H32 A2B5C28D32 -146.6 4.84 -8.49 -0.64 0
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432026 135172158 1 F3N3O3C26H34 A3B3C3D26E34 -265.21 8.94 -8.56 -0.73 0
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432027 135172159 1 N2O5C19H28 A2B5C19D28 -129.02 4.66 -8.97 -1.0 0
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432028 135172160 1 SC10H18 AB10C18 -19.98 2.49 -8.39 0.62 0
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432029 135172161 1 ClN3O3C27H38 AB3C3D27E38 -127.73 1.83 -8.51 -0.56 0
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432030 135172162 1 NSC7H9 ABC7D9 31.29 3.62 -8.81 0.14 0
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432031 135172163 1 NOSC7H9 ABCD7E9 -17.19 6.58 -9.71 -0.36 0
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432032 135172164 1 ClSO3N4C25H37 ABC3D4E25F37 -101.31 6.91 -8.79 -0.99 0
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432033 135172165 1 O3N5C28H33 A3B5C28D33 -33.66 3.76 -8.46 -0.88 0
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432034 135172166 1 N7C27H29 A7B27C29 141.22 4.34 -8.46 -0.88 0
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432035 135172167 1 O2N5C27H41 A2B5C27D41 -53.52 7.59 -8.34 -0.03 0
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432036 135172168 1 O3N5C28H33 A3B5C28D33 -24.6 4.33 -7.86 -0.31 0
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432037 135172169 1 N2O2C25H40 A2B2C25D40 -128.1 6.95 -8.3 0.11 0
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432038 135172170 3 ON2C8H12 AB2C8D12 -66.45 7.96 -8.88 -1.14 0
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432039 135172171 1 ClSO2N4C20H27 ABC2D4E20F27 -30.86 8.43 -8.88 -1.08 0
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432040 135172172 1 SO2N4C26H34 AB2C4D26E34 -34.47 5.79 -8.78 -0.86 0
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432041 135172173 1 SO2N6C25H40 AB2C6D25E40 -55.63 5.8 -8.43 -0.57 0
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432042 135172174 1 SO3N5C26H39 AB3C5D26E39 -77.59 6.69 -8.41 -0.52 0
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432043 135172175 1 NOC14H29 ABC14D29 -88.6 3.06 -8.36 2.59 0
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432044 135172176 1 SO2F3N4C18H23 AB2C3D4E18F23 -198.2 8.41 -9.22 -1.33 0
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432045 135172177 1 SO2F3N4C18H23 AB2C3D4E18F23 -197.82 7.3 -9.2 -1.35 0
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432046 135172178 1 NS2C6H13 AB2C6D13 -14.06 1.88 -9.07 -1.21 0
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432047 135172179 1 ON4C17H36 AB4C17D36 -79.86 2.73 -8.44 2.19 0
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432048 135172180 1 SC11H20 AB11C20 -29.24 2.53 -8.49 0.57 0
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432049 135172181 1 SO3N5C25H37 AB3C5D25E37 -95.39 5.02 -8.73 -1.17 0
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432050 135172182 1 O4N5C28H43 A4B5C28D43 -124.67 8.2 -8.67 -0.22 0
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432051 135172183 1 SO3N5C26H39 AB3C5D26E39 -109.84 5.56 -8.8 -1.31 0
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432052 135172184 1 N3O4C20H31 A3B4C20D31 -99.98 5.87 -8.65 -0.75 0
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432053 135172185 1 N2O2C21H34 A2B2C21D34 -110.91 3.12 -8.16 0.45 0
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432054 135172186 1 ClFN3O3C26H35 ABC3D3E26F35 -171.61 4.31 -8.6 -0.64 0
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432055 135172187 1 SO4N5C22H31 AB4C5D22E31 -124.79 6.52 -9.03 -1.4 0
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432056 135172188 1 SF3O4N5C31H44 AB3C4D5E31F44 -304.48 8.13 -8.93 -1.28 0
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432057 135172189 1 ClN3O3C25H34 AB3C3D25E34 -123.53 5.65 -8.54 -0.53 0
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432058 135172190 1 ClFN3O3C26H35 ABC3D3E26F35 -170.24 5.65 -8.34 -0.57 0
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432059 135172191 1 ClSO2N4C22H33 ABC2D4E22F33 -67.28 5.16 -8.74 -0.84 0
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432060 135172192 1 O3N5C25H39 A3B5C25D39 -104.18 7.3 -8.26 0.08 0
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432061 135172193 1 SN4O4C23H34 AB4C4D23E34 -131.2 4.14 -8.75 -0.96 0
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432062 135172194 1 SO3N4C22H32 AB3C4D22E32 -92.82 6.55 -8.96 -0.8 0
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432063 135172195 1 N3O6C23H35 A3B6C23D35 -188.08 7.36 -9.12 -0.88 0
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432064 135172196 1 N3O4C22H35 A3B4C22D35 -189.34 3.89 -8.3 0.26 0
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432065 135172197 1 O4N5C24H33 A4B5C24D33 -130.84 9.57 -8.88 -1.17 0
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432066 135172198 1 O4N5C24H33 A4B5C24D33 -129.46 8.97 -8.99 -1.11 0
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432067 135172199 1 SF3O3N6C24H33 AB3C3D6E24F33 -241.65 11.56 -9.2 -1.3 0
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432068 135172200 1 ClO2N4C24H33 AB2C4D24E33 -59.8 10.14 -8.22 -0.64 0
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432069 135172201 2 NO3C14H16 AB3C14D16 -158.32 3.22 -8.48 -0.42 0
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432070 135172202 1 FN8C25H31 AB8C25D31 86.07 8.2 -8.11 -0.88 0
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432071 135172203 1 N2O5C27H30 A2B5C27D30 -152.12 4.32 -8.6 -0.73 0
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432072 135172204 1 SF3O4N5C24H32 AB3C4D5E24F32 -290.76 7.04 -9.21 -1.38 0
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432073 135172205 1 NOC32H43 ABC32D43 30.42 0.86 -7.91 -0.32 0
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432074 135172206 1 N3O4C28H41 A3B4C28D41 -155.33 2.48 -8.32 -0.18 0
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432075 135172207 1 SO5C8H10 AB5C8D10 -217.73 6.15 -9.73 -0.5 0
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432076 135172208 1 SO5C9H12 AB5C9D12 -226.22 6.33 -9.68 -0.45 0
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432077 135172209 1 SO5C11H16 AB5C11D16 -236.0 3.76 -9.64 -0.33 0
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432078 135172210 1 SO5C9H12 AB5C9D12 -225.32 4.73 -9.94 -0.67 0
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432079 135172211 1 SO5C9H12 AB5C9D12 -218.99 3.67 -9.68 -0.39 0
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432080 135172212 1 SC9H14 AB9C14 2.58 2.16 -8.46 0.03 0
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432081 135172213 1 N3O4C28H41 A3B4C28D41 -158.5 3.45 -8.12 -0.18 0
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432082 135172214 1 SO3C6H10 AB3C6D10 -136.96 3.33 -9.72 -0.7 0
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432083 135172215 1 SO5C8H10 AB5C8D10 -217.3 4.79 -10.01 -0.72 0
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432084 135172216 1 NOSC14H27 ABCD14E27 -71.91 3.36 -8.75 0.43 0
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432085 135172217 1 N3O4C29H43 A3B4C29D43 -151.87 5.49 -8.2 -0.03 0
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432086 135172218 1 O2N6C23H32 A2B6C23D32 -6.3 5.84 -8.74 -1.18 0
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432087 135172219 1 O2N6C23H32 A2B6C23D32 -11.38 5.62 -8.61 -0.98 0
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432088 135172220 1 N3O5C22H33 A3B5C22D33 -154.15 2.12 -8.73 -1.0 0
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432089 135172221 1 ClO2N3C27H38 AB2C3D27E38 -90.08 7.23 -8.34 -0.46 0
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432090 135172222 1 SC10H18 AB10C18 -19.99 2.5 -8.4 0.61 0
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432091 135172223 1 OSC9H14 ABC9D14 -32.24 2.59 -8.5 0.46 0
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432092 135172224 1 N2O4C23H34 A2B4C23D34 -101.38 5.56 -8.79 -1.09 0
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432093 135172225 1 SO3C6H10 AB3C6D10 -147.76 5.09 -9.57 -0.45 0
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432094 135172226 1 SN2O2C21H32 AB2C2D21E32 -79.66 6.71 -7.95 -0.54 0
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432095 135172227 1 N2C11H22 A2B11C22 4.83 2.79 -8.17 0.61 0