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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383162 134974732 2 SO2C7H12 AB2C7D12 -203.37 2.44 -8.55 0.23 0
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383163 134974734 1 O9C24H34 A9B24C34 -376.58 2.68 -10.04 -0.41 0
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383164 134974735 1 O9C24H34 A9B24C34 -371.62 2.62 -9.91 -0.28 0
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383165 134974736 1 O5C17H22 A5B17C22 -192.54 1.25 -9.47 0.25 0
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383166 134974737 1 BO4C17H29 AB4C17D29 -281.41 3.27 -10.24 1.17 0
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383167 134974739 1 ON2H20C22 AB2C20D22 28.23 4.96 -8.45 -0.49 0
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383168 134974740 1 ClINOH15C20 ABCDE15F20 47.16 5.1 -9.16 -1.02 0
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383169 134974741 1 PN2O6C20H31 AB2C6D20E31 -321.54 3.69 -8.62 0.15 0
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383170 134974742 1 NPH26C31 ABC26D31 98.19 2.3 -8.37 -0.59 0
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383171 134974743 2 NC10H10 AB10C10 40.84 0.9 -8.13 -0.33 0
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383172 134974744 2 NF5H9C17 AB5C9D17 -292.19 6.52 -8.98 -1.25 0
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383173 134974745 1 PN3H34C38 AB3C34D38 136.06 4.2 -8.23 -0.64 0
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383174 134974746 2 OC5H9 AB5C9 -64.34 1.57 -9.62 1.82 0
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383175 134974747 1 INOSC17H18 ABCDE17F18 25.22 4.58 -8.09 -0.86 0
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383176 134974748 1 NOSC17H17 ABCD17E17 27.58 5.74 -7.9 -0.65 0
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383177 134974749 1 NOSC14H19 ABCD14E19 -6.76 4.03 -8.65 0.03 1
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383178 134974750 1 N2O2S2C15H19 A2B2C2D15E19 -36.51 3.58 0.0 0.0 1
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383179 134974751 1 N2O4C16H25 A2B4C16D25 -166.03 5.53 0.0 0.0 0
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383180 134974752 1 NO6C17H19 AB6C17D19 -183.82 1.89 -9.31 -0.4 0
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383181 134974753 1 NO8C17H21 AB8C17D21 -290.77 5.72 -9.47 -0.45 0
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383182 134974754 1 ON5C19H21 AB5C19D21 97.26 5.59 -8.26 -0.64 0
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383183 134974755 1 NSiO2C20H31 ABC2D20E31 -107.0 2.1 -8.18 0.31 0
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383184 134974758 2 OH4C5 AB4C5 -6.28 5.24 -9.35 -0.83 1
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383185 134974759 1 BrNC11H11 ABC11D11 40.48 3.45 0.0 0.0 0
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383186 134974760 1 N2O6C17H22 A2B6C17D22 -206.89 2.61 -8.91 -0.41 1
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383187 134974761 1 NO2H18C22 AB2C18D22 13.91 5.56 0.0 0.0 0
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383188 134974763 1 NOC8H19 ABC8D19 -12.23 13.8 -7.08 0.12 0
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383189 134974764 4 OH5C7 AB5C7 -68.41 0.71 -8.41 -1.28 0
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383190 134974765 2 OC5H9 AB5C9 -119.25 3.36 -9.47 2.3 0
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383191 134974767 2 O2C7H11 A2B7C11 -194.56 4.31 -9.57 -0.25 0
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383192 134974768 1 NO2H17C21 AB2C17D21 -2.81 4.85 -8.35 -0.35 0
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383193 134974769 1 FINOH19C22 ABCDE19F22 -8.69 3.97 -9.2 -0.96 0
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383194 134974771 1 INO2H22C23 ABC2D22E23 0.98 5.09 -8.96 -0.81 0
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383195 134974772 1 NO2H21C23 AB2C21D23 -22.73 2.95 -8.39 -0.63 0
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383196 134974775 1 ClINOH17C21 ABCDE17F21 38.71 4.14 -9.4 -1.01 0
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383197 134974778 1 ClNO2H16C21 ABC2D16E21 -21.49 2.79 -8.8 -0.97 0
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383198 134974779 1 ClFINOH14C20 ABCDEF14G20 3.3 3.53 -9.22 -1.27 0
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383199 134974780 1 ClFNOH13C20 ABCDE13F20 -26.75 1.95 -8.96 -1.21 0
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383200 134974781 1 ClINOH15C20 ABCDE15F20 45.69 2.4 -9.45 -1.3 0
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383201 134974782 1 ClNOH14C20 ABCD14E20 21.7 1.09 -8.79 -1.02 0
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383202 134974784 1 ClNOH14C20 ABCD14E20 20.83 3.3 -8.91 -1.02 0
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383203 134974791 1 NSO9C21H25 ABC9D21E25 -371.17 5.61 -9.14 -1.91 0
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383204 134974793 1 NO6C25H25 AB6C25D25 -108.38 4.47 -8.43 -1.06 0
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383205 134974795 1 NS2O4C23H23 AB2C4D23E23 -85.0 8.18 -7.86 -0.78 0
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383206 134974796 1 INOSC16H16 ABCDE16F16 35.77 5.26 -8.13 -0.91 0
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383207 134974797 1 NOS2H19C22 ABC2D19E22 72.52 5.78 -8.01 -0.52 0
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383208 134974799 1 NOS2H19C22 ABC2D19E22 88.72 4.03 -8.27 -0.63 1
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383209 134974800 1 NOS2H20C22 ABC2D20E22 82.29 3.05 0.0 0.0 0
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383210 134974801 1 NO2S2H19C22 AB2C2D19E22 46.39 7.15 -8.09 -0.59 0
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383211 134974802 1 NSO2H21C23 ABC2D21E23 27.25 7.14 -7.65 -0.67 0
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383212 134974803 1 SN5O10C39H49 AB5C10D39E49 -380.12 7.59 -8.74 -0.29 0
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383213 134974804 1 SO9C17H22 AB9C17D22 -357.41 3.12 -9.02 -0.03 0
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383214 134974806 1 SO7C16H22 AB7C16D22 -277.91 3.76 -9.06 0.08 0
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383215 134974807 1 SN4O11C39H48 AB4C11D39E48 -427.03 8.48 -8.75 -0.43 0
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383216 134974808 1 SN4O11C39H48 AB4C11D39E48 -436.3 3.69 -8.72 -0.4 0
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383217 134974814 2 O2C12H13 A2B12C13 -118.99 4.95 -9.58 -0.6 0
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383218 134974815 1 ClHgO5C24H27 ABC5D24E27 -160.99 5.02 -9.71 -0.85 0
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383219 134974816 1 ClHgO4C24H27 ABC4D24E27 -155.81 2.14 -9.61 -1.02 0
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383220 134974817 1 SiO3C23H36 AB3C23D36 -176.87 2.3 -8.78 -0.53 0
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383221 134974821 1 NO2C21H23 AB2C21D23 -33.74 5.9 -8.62 -0.18 0
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383222 134974827 1 NO2S4H15C17 AB2C4D15E17 44.55 6.25 -7.91 -1.8 0
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383223 134974832 1 LiSi3O4C33H69 AB3C4D33E69 -350.9 6.88 -7.14 0.78 0
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383224 134974836 1 O3N4C7H12 A3B4C7D12 -96.18 3.76 -10.22 -0.79 0
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383225 134974839 1 NSO3C33H33 ABC3D33E33 -44.64 5.35 -8.88 -0.37 0
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383227 134974841 2 NOC7H13 ABC7D13 -124.81 3.75 -8.49 1.48 0
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383228 134974843 1 NPSO3C15H24 ABCD3E15F24 -163.86 3.5 -8.51 -0.02 0
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383229 134974844 1 ClNS2O3C16H22 ABC2D3E16F22 -120.9 5.01 -9.17 -0.84 0
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383230 134974845 1 N3O3C13H19 A3B3C13D19 -62.54 7.73 -9.65 0.24 0
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383231 134974848 1 ClNS2O3C14H18 ABC2D3E14F18 -108.53 4.67 -9.15 -0.81 0
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383232 134974852 1 ClNOSiS2C15H24 ABCDE2F15G24 -58.82 5.23 -8.88 -0.6 0
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383233 134974853 1 ClO2H19C22 AB2C19D22 -19.13 1.52 -9.06 -0.3 0
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383234 134974854 1 ClNOS2C9H10 ABCD2E9F10 -2.76 4.54 -9.1 -1.02 0
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383235 134974855 1 NSiO2C21H29 ABC2D21E29 -96.83 1.93 -8.89 0.08 0
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383236 134974856 2 SN2O11C18H31 AB2C11D18E31 -1052.91 6.86 -9.72 -2.06 0
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383237 134974857 1 SN2O11C18H32 AB2C11D18E32 -523.18 3.6 -9.61 -0.2 0
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383238 134974858 1 FO2C13H19 AB2C13D19 -179.53 2.16 -10.49 0.7 0
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383239 134974859 2 LiPO4C6H8 ABC4D6E8 -532.66 1.5 -9.2 -0.5 0
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383241 134974862 1 O3C14H24 A3B14C24 -150.48 0.82 -9.36 1.22 0
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383242 134974863 1 NSO3C33H33 ABC3D33E33 -10.75 7.23 -9.0 -0.55 1
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383243 134974865 1 BOPC16H19 ABCD16E19 105.41 4.58 0.0 0.0 0
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383244 134974866 1 N2O3C19H26 A2B3C19D26 -125.31 2.98 -9.16 0.22 0
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383245 134974867 2 NC9H13 AB9C13 70.6 0.84 -8.4 0.47 0
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383246 134974869 1 O4C15H24 A4B15C24 -208.25 3.85 -9.97 0.28 0
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383247 134974870 1 O4C15H22 A4B15C22 -167.49 4.18 -10.12 0.06 0
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383248 134974871 1 O4C15H24 A4B15C24 -196.86 3.23 -9.43 0.34 0
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383249 134974872 1 O2N3H9C18 A2B3C9D18 50.61 9.55 -8.59 -1.55 0
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383250 134974873 1 SiO2C17H32 AB2C17D32 -157.75 3.97 -8.22 0.65 0
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383251 134974874 1 PO5C17H19 AB5C17D19 -221.88 3.59 -8.86 -0.4 0
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383252 134974875 1 SF3N3H10C11 AB3C3D10E11 -103.17 4.77 -8.92 -0.98 0
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383253 134974876 1 SF3N3H10C11 AB3C3D10E11 -101.25 8.59 -9.01 -1.08 0
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383254 134974877 2 PO4C8H17 AB4C8D17 -497.63 3.09 -9.56 0.87 0
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383255 134974878 1 NF3O4H14C16 AB3C4D14E16 -249.88 3.91 -9.74 -1.14 0
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383256 134974880 1 NSO2F3H12C15 ABC2D3E12F15 -141.56 3.42 -8.92 -1.25 0
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383257 134974882 1 ON2F3C19H23 AB2C3D19E23 -154.63 5.74 -8.71 -0.52 0
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383258 134974883 1 O4C15H28 A4B15C28 -229.06 1.93 -10.09 1.42 0
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383259 134974884 1 SN2O5C21H32 AB2C5D21E32 -204.05 6.23 -8.64 -0.62 0
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383260 134974885 1 SiN2O3C15H24 AB2C3D15E24 -100.77 2.6 -9.02 0.07 0
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383261 134974886 1 SiN2O5C15H26 AB2C5D15E26 -242.72 2.2 -8.99 -0.11 0
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383262 134974887 1 SSi3O4C29H56 AB3C4D29E56 -360.57 1.06 -8.72 -0.14 0
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383263 134974888 1 NOC15H21 ABC15D21 -26.07 2.15 -8.25 0.57 0