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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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431971 135172099 1 ClO2N4C24H33 AB2C4D24E33 -65.93 8.62 -8.51 -0.95 0
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431972 135172100 1 N3O3C24H35 A3B3C24D35 -124.34 4.69 -8.6 -0.55 0
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431973 135172101 1 SO3N5C22H33 AB3C5D22E33 -110.41 3.11 -8.57 -0.54 0
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431974 135172102 1 SO2N4C20H30 AB2C4D20E30 -50.36 3.9 -8.94 -0.9 0
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431975 135172103 1 N3O3C23H37 A3B3C23D37 -160.25 5.21 -8.31 0.09 0
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431976 135172104 1 ClO3N4C25H35 AB3C4D25E35 -112.56 4.14 -8.64 -0.79 0
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431977 135172105 1 O3N5C26H39 A3B5C26D39 -72.44 4.57 -7.81 0.27 0
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431978 135172106 1 ClO2N3C25H34 AB2C3D25E34 -76.41 8.86 -8.41 -0.45 0
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431979 135172107 1 N3O4C27H35 A3B4C27D35 -124.2 6.53 -8.65 -0.57 0
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431980 135172108 1 O3N4C29H38 A3B4C29D38 -94.25 2.88 -8.97 -0.4 0
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431981 135172109 1 ClSO3N4C22H31 ABC3D4E22F31 -94.78 7.3 -9.07 -1.01 0
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431982 135172110 1 ClSO2N4C23H33 ABC2D4E23F33 -67.44 5.34 -8.93 -1.08 0
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431983 135172111 1 O2N6C19H30 A2B6C19D30 -21.23 7.14 -8.76 -0.52 0
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431984 135172112 1 O3N4C24H36 A3B4C24D36 -125.85 7.71 -8.37 -0.39 0
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431985 135172113 1 O2N6C19H30 A2B6C19D30 -21.81 11.71 -8.64 -0.55 0
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431986 135172114 1 N4C21H40 A4B21C40 -27.05 2.32 -8.38 2.59 0
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431987 135172115 1 ISO3C9H11 ABC3D9E11 -104.08 4.46 -9.58 -1.35 0
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431988 135172116 2 N2C9H19 A2B9C19 -50.48 1.24 -8.38 2.58 0
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431989 135172117 1 F3O3N5C25H36 A3B3C5D25E36 -247.99 1.09 -8.52 -0.67 0
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431990 135172118 1 O2F3N5C23H32 A2B3C5D23E32 -207.63 5.07 -8.64 -0.74 0
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431991 135172119 1 O3N4C31H36 A3B4C31D36 -55.26 5.53 -8.04 -0.76 0
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431992 135172120 1 SO2N4C26H32 AB2C4D26E32 -5.04 5.63 -8.68 -0.69 0
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431993 135172121 1 O3N4C29H32 A3B4C29D32 -36.24 1.89 -8.72 -1.07 0
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431994 135172122 1 O3N4C29H32 A3B4C29D32 -35.29 4.21 -8.5 -1.25 0
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431995 135172123 1 N3O9C45H47 A3B9C45D47 -253.67 4.15 -8.53 -0.61 0
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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