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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52106 12014891 1 TiN2O4F6C23H24 AB2C4D6E23F24 -471.78 11.33 -7.45 -2.09 0
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52109 12014894 1 OC16H22 AB16C22 -39.34 2.23 -9.2 0.43 0
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52110 12014895 1 OC16H22 AB16C22 -35.57 2.98 -9.2 0.06 2
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52111 12014896 2 NH6C9 AB6C9 110.08 0.02 -6.56 -1.01 0
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52112 12014897 1 O3C10H18 A3B10C18 -162.74 3.42 -9.8 1.64 0
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52113 12014898 1 O7C14H24 A7B14C24 -353.28 2.65 -9.86 0.34 0
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52114 12014899 1 O5C12H22 A5B12C22 -266.61 1.54 -10.02 0.72 0
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52115 12014900 1 O5C12H20 A5B12C20 -247.62 1.59 -9.77 0.16 0
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52116 12014901 1 O5C12H22 A5B12C22 -266.69 3.08 -9.85 0.52 0
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52117 12014903 1 NO2C13H17 AB2C13D17 -37.93 1.05 -8.8 0.28 0
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52118 12014904 1 NO2C15H21 AB2C15D21 -55.87 1.12 -8.71 0.32 0
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52119 12014905 1 ClPN2O3C7H12 ABC2D3E7F12 -144.29 3.82 -9.84 0.11 0
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52120 12014907 1 ClPSN2O2C7H12 ABCD2E2F7G12 -114.49 4.34 -9.21 -0.04 0
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52121 12014909 1 ClPN2O3C12H18 ABC2D3E12F18 -182.98 5.0 -9.19 0.15 0
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52122 12014910 1 PCl2N2O2C7H15 AB2C2D2E7F15 -159.32 6.54 -10.08 0.11 0
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52123 12014911 1 PCl2N2O2C9H11 AB2C2D2E9F11 -106.61 4.39 -9.24 -0.27 0
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52124 12014912 1 PN2O3C12H17 AB2C3D12E17 -155.33 5.69 -9.1 0.29 0
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52125 12014913 1 ClPN2O3C7H16 ABC2D3E7F16 -186.4 4.61 -9.71 0.38 0
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52126 12014914 1 ClPN2O3C9H12 ABC2D3E9F12 -126.66 1.1 -8.85 -0.12 0
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52127 12014915 1 ClPN2S2C7H14 ABC2D2E7F14 -55.59 6.32 -8.99 -0.58 0
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52128 12014916 1 OPH19C20 ABC19D20 36.09 5.61 -9.49 -0.01 0
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52129 12014917 1 OPTeH21C26 ABCD21E26 51.28 3.83 -8.04 -0.34 0
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52130 12014918 1 OPTeC24H25 ABCD24E25 7.25 5.63 -7.94 -0.22 0
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52131 12014919 1 OPTeC22H29 ABCD22E29 -38.58 4.88 -8.16 -0.09 0
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52132 12014920 1 N2O2C7H8 A2B2C7D8 -64.41 2.84 -8.6 -0.46 0
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52133 12014921 1 NSiC6H14 ABC6D14 -3.88 1.75 0.0 0.0 0
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52134 12014923 1 F2O3C11H20 A2B3C11D20 -269.33 2.96 -10.56 0.13 0
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52135 12014924 1 N2O3S3C23H26 A2B3C3D23E26 -56.76 7.2 -8.72 -0.96 0
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52136 12014925 1 OS8C10H10 AB8C10D10 -6.09 3.19 -8.87 -2.22 0
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52137 12014926 1 NSO4C9H13 ABC4D9E13 -139.66 5.72 -8.65 -0.29 0
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52138 12014927 1 ClN2O3C36H47 AB2C3D36E47 -89.13 6.63 -9.03 -1.3 0
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52139 12014928 1 NO7C14H21 AB7C14D21 -317.56 2.29 -9.62 -0.25 0
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52140 12014929 1 NO6C19H23 AB6C19D23 -239.96 5.78 -9.51 -0.28 0
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52141 12014930 1 NO7C20H25 AB7C20D25 -291.85 4.71 -9.45 -0.21 0
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52142 12014931 1 NO6C17H27 AB6C17D27 -286.89 5.12 -9.61 -0.08 0
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52143 12014933 1 NO4C15H15 AB4C15D15 -133.03 0.63 -9.57 -0.35 0
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52144 12014934 1 NO3C12H17 AB3C12D17 -132.07 3.24 -9.55 -0.33 0
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52145 12014935 1 O2C17H26 A2B17C26 -85.96 1.15 -9.17 0.2 0
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52146 12014937 2 OC8H11 AB8C11 -96.72 5.2 -9.71 0.04 0
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52147 12014938 2 OC8H11 AB8C11 -94.97 5.25 -9.72 0.0 0
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52148 12014939 1 O2C13H24 A2B13C24 -140.07 5.24 -10.75 0.91 0
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52149 12014940 1 NOC18H25 ABC18D25 -16.12 5.51 -9.78 -0.05 0
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52150 12014943 1 BrPO3H8C10 ABC3D8E10 -126.37 2.4 -9.51 -0.93 0
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52151 12014944 1 ClPO4C5H12 ABC4D5E12 -249.17 4.57 -10.7 0.52 0
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52152 12014945 1 PN3O4C7H16 AB3C4D7E16 -182.01 2.98 -10.02 -0.23 0
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52153 12014947 1 PN3O4C7H14 AB3C4D7E14 -170.11 2.49 -9.87 -0.21 0
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52154 12014948 1 NO2C12H21 AB2C12D21 -44.64 2.36 -9.72 0.91 0
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52155 12014949 1 O2Cl4H4C5 A2B4C4D5 -95.31 1.97 -10.87 -1.57 0
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52156 12014951 1 NSO5C17H19 ABC5D17E19 -137.21 4.52 -9.68 -0.99 0
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52157 12014952 1 NSO5C18H21 ABC5D18E21 -147.06 4.38 -9.56 -1.04 0
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52158 12014953 1 NSO5C18H21 ABC5D18E21 -149.63 4.54 -9.46 -0.91 0
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52159 12014954 1 NSO5C18H21 ABC5D18E21 -149.7 6.76 -9.16 -0.64 0
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52160 12014955 1 NSO6C18H21 ABC6D18E21 -180.09 4.07 -8.99 -0.82 0
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52161 12014956 1 N2S2O5C24H24 A2B2C5D24E24 -96.57 6.47 -9.59 -1.09 0
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52162 12014957 1 N2S2O5C26H28 A2B2C5D26E28 -117.68 4.87 -9.23 -1.03 0
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52163 12014959 1 O3C8H16 A3B8C16 -165.01 1.99 -10.13 1.53 0
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52164 12014960 3 OC3H6 AB3C6 -168.11 1.98 -9.93 1.53 0
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52165 12014961 1 O3C10H20 A3B10C20 -175.78 0.92 -9.79 1.44 0
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52166 12014962 1 O3C12H16 A3B12C16 -128.42 2.3 -9.82 -0.04 0
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52167 12014963 1 NNaO3H8C9 ABC3D8E9 -146.98 8.23 -8.96 -0.7 0
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52168 12014965 1 O2N3H5C7 A2B3C5D7 55.37 3.15 -11.21 -1.97 0
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52169 12014966 2 ON2H7C8 AB2C7D8 99.75 6.87 -8.52 -1.93 0
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52170 12014969 1 O3C13H22 A3B13C22 -130.63 3.31 -10.3 0.35 0
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52171 12014970 1 OSC13H20 ABC13D20 -32.37 0.98 -8.56 0.57 0
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52172 12014971 1 SC9H16 AB9C16 -16.52 1.95 -8.6 0.53 0
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52173 12014972 1 SO4C9H18 AB4C9D18 -204.17 4.08 -10.66 0.56 0
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52174 12014973 1 SO2C9H18 AB2C9D18 -127.49 2.14 -9.11 0.1 0
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52175 12014974 1 S3O6C11H22 A3B6C11D22 -291.8 6.71 -8.77 -0.1 0
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52176 12014975 1 ON3C12H13 AB3C12D13 44.68 6.51 -8.94 -0.26 0
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52177 12014976 1 ON3H11C12 AB3C11D12 85.91 6.32 -9.0 -0.34 0
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52178 12014977 1 N3C10H11 A3B10C11 87.11 4.4 -9.09 -0.28 0
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52179 12014978 1 N3H9C10 A3B9C10 130.55 3.12 -9.06 -0.38 0
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52180 12014979 1 ClN3C10H10 AB3C10D10 78.53 5.1 -9.16 -0.38 0
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52181 12014980 1 ON4C10H10 AB4C10D10 106.27 3.47 -9.33 -0.85 0
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52182 12014981 1 ON4H8C10 AB4C8D10 145.28 4.13 -9.15 -0.78 0
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52183 12014983 2 OC14H27 AB14C27 -212.98 2.13 -10.65 0.96 0
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52184 12014984 1 NOH13C16 ABC13D16 21.44 3.64 -8.83 -0.87 0
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52185 12014985 1 NO2H13C16 AB2C13D16 14.62 4.32 -8.68 -0.99 0
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52186 12014986 1 N2O7C40H40 A2B7C40D40 -84.3 10.57 -8.56 -1.18 0
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52187 12014988 1 NO5C19H19 AB5C19D19 -164.29 2.57 -8.48 -1.15 0
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52188 12014989 1 NO5C20H21 AB5C20D21 -175.25 3.21 -8.43 -1.03 0
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52189 12014991 1 NO7C19H19 AB7C19D19 -246.55 5.65 -9.06 -1.14 0
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52190 12014992 1 NO4C17H21 AB4C17D21 -136.79 1.04 -8.55 -0.58 0
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52191 12014993 1 NO3C15H15 AB3C15D15 -72.39 4.3 -9.16 -1.05 0
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52192 12014994 1 NBr2O4C16H17 AB2C4D16E17 -118.51 2.88 -9.47 -1.41 0
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52193 12014995 1 NO3H13C14 AB3C13D14 -75.63 3.23 -8.8 -0.74 0
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52194 12014996 1 NO3H13C14 AB3C13D14 -62.15 2.91 -10.24 -1.25 0
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52195 12014997 1 NO3C12H17 AB3C12D17 -111.05 3.35 -9.35 0.16 0
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52196 12014998 1 NOPC25H26 ABCD25E26 1.77 3.79 -8.54 -0.14 0
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52197 12014999 1 OSiC17H28 ABC17D28 -89.6 1.47 -8.69 0.32 0
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52198 12015000 1 OSiC17H28 ABC17D28 -85.72 1.32 -9.13 0.4 0
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52199 12015001 1 OSiC20H34 ABC20D34 -96.59 1.28 -8.7 0.32 0
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52200 12015002 1 OC18H20 AB18C20 11.84 1.61 -9.15 0.15 0
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52201 12015003 1 OSiC22H38 ABC22D38 -107.11 1.44 -8.64 0.36 0
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52202 12015004 1 OSiC18H30 ABC18D30 -94.19 1.45 -8.7 0.31 0
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52203 12015005 1 OSiC18H30 ABC18D30 -90.29 1.45 -9.06 0.31 0
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52204 12015006 1 OSiC19H32 ABC19D32 -94.13 1.33 -9.04 0.27 0
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52205 12015007 1 OSiC21H36 ABC21D36 -101.3 1.31 -8.71 0.34 0
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52206 12015008 1 OSiC18H30 ABC18D30 -91.42 1.17 -9.07 0.37 0
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52207 12015009 1 OSiC19H32 ABC19D32 -100.32 1.2 -8.73 0.37 0