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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218884 85090109 1 Br2O2N4C21H22 A2B2C4D21E22 95.47 27.05 -6.58 -3.1 2
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218885 85090110 1 O2N4C21H22 A2B4C21D22 105.53 8.52 -5.1 -2.52 0
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218886 85090116 2 SO2N4H9C11 AB2C4D9E11 76.77 1.59 -9.37 -1.79 0
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218887 85090117 1 SSiO6C28H30 ABC6D28E30 -201.72 2.62 -9.1 -1.03 0
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218888 85090118 1 O7C30H50 A7B30C50 -387.5 7.25 -10.01 0.35 0
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218889 85090119 1 SSiO5C28H46 ABC5D28E46 -259.22 2.72 -8.95 0.3 0
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218890 85090121 1 ClO8H23C28 AB8C23D28 -251.99 1.11 -9.92 -0.72 0
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218891 85090122 1 O2F4N5H19C27 A2B4C5D19E27 -9.28 9.19 -9.07 -2.31 0
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218892 85090123 1 S2N5O9H17C19 A2B5C9D17E19 -247.47 14.88 -9.29 -1.59 0
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218893 85090124 1 SN3O7H25C26 AB3C7D25E26 -207.94 10.9 -8.79 -1.74 0
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218894 85090125 1 NSO7C28H29 ABC7D28E29 -205.84 3.23 -9.48 -0.99 0
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218895 85090126 1 NO7C30H37 AB7C30D37 -278.48 7.26 -9.34 -0.23 0
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218896 85090128 1 S2N3O7C23H29 A2B3C7D23E29 -181.91 6.27 -8.31 -1.34 0
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218897 85090130 1 SN3O3H29C31 AB3C3D29E31 7.72 4.92 -8.28 -1.72 0
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218898 85090131 1 O9H20C30 A9B20C30 -257.88 3.87 -8.81 -1.22 0
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218899 85090132 1 O12C25H32 A12B25C32 -512.09 5.35 -8.8 -0.9 0
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218900 85090134 1 O6H32C33 A6B32C33 -169.89 8.07 -9.71 -0.81 0
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218901 85090136 1 N2Cl5H19C25 A2B5C19D25 159.8 3.22 -8.68 -0.29 0
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218902 85090137 1 O2N4C33H40 A2B4C33D40 2.35 3.06 -7.41 -1.4 0
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218903 85090138 1 O7C30H52 A7B30C52 -408.6 2.25 -9.67 0.48 0
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218904 85090139 1 BrClSeSiO3C19H26 ABCDE3F19G26 -115.04 4.32 -8.91 -0.73 0
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218905 85090141 1 ClF2N4O5C24H27 AB2C4D5E24F27 -234.14 6.79 -9.03 -0.64 0
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218906 85090142 1 ClSN2O2H25C31 ABC2D2E25F31 73.2 5.2 -8.04 -1.29 0
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218907 85090143 1 INO2C26H40 ABC2D26E40 -44.92 12.16 -7.18 -1.23 1
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218908 85090144 1 NO2C26H40 AB2C26D40 -94.03 4.17 0.0 0.0 0
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218909 85090145 1 NPO5C30H40 ABC5D30E40 -207.55 5.59 -9.06 0.06 0
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218910 85090147 1 SiN3O5C28H39 AB3C5D28E39 -174.85 2.35 -8.99 -0.28 0
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218911 85090149 1 ClSN3O4C27H28 ABC3D4E27F28 -114.91 6.27 -9.62 -0.7 0
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218912 85090150 1 O11C26H38 A11B26C38 -498.97 5.85 -9.93 -0.14 0
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218913 85090151 1 O11C26H38 A11B26C38 -482.42 8.2 -9.88 0.08 0
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218914 85090153 1 SN4O5C27H34 AB4C5D27E34 -158.18 4.44 -9.32 -0.21 0
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218915 85090154 1 SiO7C29H38 AB7C29D38 -303.11 2.95 -8.92 -0.73 0
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218916 85090155 1 F3O3C31H49 A3B3C31D49 -338.18 3.18 -9.82 -0.29 1
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218917 85090156 1 Si2N4O7C22H37 A2B4C7D22E37 -361.11 3.52 0.0 0.0 0
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218918 85090157 1 O5C33H50 A5B33C50 -250.26 6.29 -9.04 -0.01 0
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218919 85090158 2 C20H23 A20B23 103.62 1.11 -7.91 -0.49 0
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218920 85090159 1 F2N3O3H27C31 A2B3C3D27E31 -106.51 8.25 -8.9 -1.4 0
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218921 85090162 1 NSF3O3H28C29 ABC3D3E28F29 -201.28 3.98 -8.64 -1.42 0
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218922 85090163 1 NO6C31H45 AB6C31D45 -279.4 3.1 -9.5 -0.54 0
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218923 85090164 1 IO5C24H33 AB5C24D33 -216.6 0.42 -9.36 -0.68 0
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218924 85090182 2 O6C13H13 A6B13C13 -445.49 3.45 -9.38 -1.97 0
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218925 85090187 2 O3C16H25 A3B16C25 -325.39 8.69 -9.31 0.17 0
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218926 85090188 1 SiO6C30H46 AB6C30D46 -278.94 5.39 -8.69 0.2 0
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218927 85090191 1 ClSN4O5C25H27 ABC4D5E25F27 -153.74 5.51 -9.28 -1.25 0
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218928 85090192 1 ClSN2O5C27H31 ABC2D5E27F31 -152.86 8.66 -8.32 -0.73 0
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218929 85090193 1 N3O7C29H29 A3B7C29D29 -144.4 4.94 -9.62 -1.4 0
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218930 85090194 1 O5N7C27H29 A5B7C27D29 -128.47 10.98 -8.47 -0.93 0
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218931 85090195 1 PbO4C20H22 AB4C20D22 -106.47 8.72 -8.09 -1.04 0
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218932 85090197 1 NSO4C32H37 ABC4D32E37 -103.76 2.86 -8.86 -0.49 0
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218933 85090198 1 ClIN3O5C19H19 ABC3D5E19F19 -144.02 3.65 -9.12 -1.09 0
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218934 85090200 1 ClSN5O5C24H26 ABC5D5E24F26 -115.34 4.07 -9.32 -1.18 0
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218935 85090202 1 P3N8C10O12H15 A3B8C10D12E15 -590.98 6.13 -9.54 -1.05 0
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218936 85090203 1 N4F5O6H21C22 A4B5C6D21E22 -456.45 6.97 -8.93 -0.58 0
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218937 85090205 2 O5C14H18 A5B14C18 -455.2 4.28 -9.85 -0.47 0
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218938 85090206 1 N2O7C30H32 A2B7C30D32 -187.77 6.64 -8.82 -0.5 0
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218939 85090207 2 OSN3H8C14 ABC3D8E14 179.62 2.12 -9.06 -1.54 0
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218940 85090208 1 SN2O6C28H40 AB2C6D28E40 -280.67 8.42 -9.1 0.27 0
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218941 85090209 1 BrClNSO7H19C20 ABCDE7F19G20 -226.02 3.92 -9.64 -1.04 0
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218942 85090210 2 NO2C16H28 AB2C16D28 -247.38 6.37 -8.7 0.29 0
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218943 85090213 1 N7O10C20H35 A7B10C20D35 -463.63 7.14 -9.4 -0.72 0
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218944 85090215 1 F2N3O4H29C30 A2B3C4D29E30 -174.38 4.88 -8.91 -0.55 0
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218945 85090224 1 N4O6C29H34 A4B6C29D34 -108.21 8.75 -9.04 -1.05 0
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218946 85090226 1 PO4C33H43 AB4C33D43 -163.07 6.71 -8.99 -0.16 0
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218947 85090228 2 N2O3C14H23 A2B3C14D23 -327.67 1.82 -9.5 0.18 0
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218948 85090229 1 N2O3C35H38 A2B3C35D38 -66.19 3.17 -8.0 -0.23 0
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218949 85090230 1 O3C37H42 A3B37C42 -53.78 5.59 -8.98 -0.35 0
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218950 85090234 1 NPSO8C25H30 ABCD8E25F30 -338.11 7.09 -8.44 -1.08 0
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218951 85090235 1 NS2F3O9C19H28 AB2C3D9E19F28 -522.64 5.82 -9.14 -1.35 0
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218952 85090239 1 BrO2N3C29H34 AB2C3D29E34 -19.03 18.03 -7.66 -0.63 1
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218953 85090240 1 O2N3C29H34 A2B3C29D34 13.53 4.21 0.0 0.0 0
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218954 85090241 1 ON4C24H26 AB4C24D26 37.32 4.82 -8.72 -0.09 0
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218955 85090242 1 IOPdN2C13H23 ABCD2E13F23 102.73 5.93 -7.3 -2.08 0
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218956 85090243 1 NF2H9C11 AB2C9D11 -50.07 1.71 -8.99 -0.74 0
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218957 85090251 1 PdN2F5C14H21 AB2C5D14E21 -132.98 2.11 -7.15 -0.83 0
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218958 85090252 1 BrF2H9C13 AB2C9D13 -55.92 1.68 -9.49 -0.72 0