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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312816 126608880 4 O2C9H11 A2B9C11 -279.66 3.62 -9.27 0.07 0
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312817 126608888 1 SO5C22H28 AB5C22D28 -192.96 5.33 -9.44 -0.62 0
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312818 126608899 4 OC8H12 AB8C12 -196.02 5.31 -8.32 -0.64 0
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312819 126608912 1 O3C18H20 A3B18C20 -103.23 3.82 -8.57 -0.48 0
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312820 126608913 1 O3C18H20 A3B18C20 -102.68 5.08 -8.76 -0.59 0
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312821 126608915 1 IN2C10H23 AB2C10D23 -23.77 2.22 -8.38 -1.12 0
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312822 126608916 1 OSN3C23H27 ABC3D23E27 54.12 4.05 -7.96 -0.46 0
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312823 126608921 1 BrNSO3C7H8 ABCD3E7F8 -102.99 6.59 -9.06 -0.92 0
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312824 126608944 1 N3O4C28H31 A3B4C28D31 -123.36 3.11 -9.0 -1.42 0
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312825 126608965 1 SP3N13O18C32H44 AB3C13D18E32F44 -845.22 12.52 -9.02 -0.92 0
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312826 126608966 1 SP3N13O18C35H50 AB3C13D18E35F50 -861.0 7.6 -9.27 -0.87 0
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312827 126608985 1 ClN9O14C57H80 AB9C14D57E80 -479.54 15.51 -8.25 -0.83 0
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312828 126608989 1 O2F3N4C23H23 A2B3C4D23E23 -154.79 9.29 -9.03 -0.76 0
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312829 126608991 1 O2F3N6C21H21 A2B3C6D21E21 -125.74 4.9 -9.08 -1.29 0
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312830 126609044 1 ON4H40C62 AB4C40D62 270.69 3.82 -8.28 -0.96 0
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312831 126609051 1 ON8H32C54 AB8C32D54 313.31 5.65 -8.5 -1.37 0
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312832 126609052 1 SN4H32C50 AB4C32D50 267.49 4.27 -8.32 -1.12 0
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312833 126609053 1 SN6H26C42 AB6C26D42 267.35 3.77 -8.38 -1.27 0
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312834 126609088 1 N7H27C42 A7B27C42 271.65 4.06 -8.29 -1.1 0
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312835 126609091 1 BrO5C10H15 AB5C10D15 -227.58 7.8 -10.35 0.06 0
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312836 126609094 1 ON3C7H11 AB3C7D11 13.51 5.29 -10.1 0.31 0
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312837 126609103 2 OH11C12 AB11C12 -12.81 1.22 -8.49 -0.78 0
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312838 126609105 4 SH3C4 AB3C4 75.85 0.9 -8.25 -0.93 1
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312839 126609112 1 N2C10H17 A2B10C17 13.3 2.38 0.0 0.0 8
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312841 126609117 1 N2C8H15 A2B8C15 22.83 3.11 0.0 0.0 1
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312842 126609124 1 N2C11H21 A2B11C21 5.11 3.1 0.0 0.0 0
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312843 126609129 1 FO3C8H17 AB3C8D17 -186.31 2.58 -9.98 1.18 0
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312844 126609134 1 O4F17C33H51 A4B17C33D51 -1095.09 3.71 -10.06 -0.46 0
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312845 126609186 1 N6H18C25 A6B18C25 172.74 0.65 -9.54 -1.58 1
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312846 126609203 1 ClO2N8C23H32 AB2C8D23E32 -19.78 4.94 0.0 0.0 1
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312847 126609204 1 ClO2N8C24H34 AB2C8D24E34 -29.43 5.5 0.0 0.0 0
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312848 126609210 1 OPN2C10H23 ABC2D10E23 -104.34 6.08 -8.45 2.29 1
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312849 126609212 1 ClO2N9C28H39 AB2C9D28E39 -12.43 3.94 0.0 0.0 1
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312850 126609213 1 ClO3N8C24H32 AB3C8D24E32 -57.65 1.8 0.0 0.0 1
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312851 126609217 1 O2N8C27H39 A2B8C27D39 -32.67 1.86 0.0 0.0 0
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312852 126609237 1 ON6C14H16 AB6C14D16 36.51 1.06 -8.97 -0.48 0
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312853 126609239 1 ON6C14H16 AB6C14D16 35.16 2.19 -9.03 -0.61 0
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312854 126609241 1 FON6C16H19 ABC6D16E19 -18.25 4.37 -8.97 -0.61 0
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312855 126609247 2 NO2C7H15 AB2C7D15 -204.54 4.02 -9.31 1.08 0
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312856 126609251 1 N5O7H35C42 A5B7C35D42 -49.09 7.1 -8.72 -1.6 0
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312857 126609255 1 N3O5H23C26 A3B5C23D26 -35.03 3.75 -8.75 -1.4 0
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312858 126609258 1 N3O4H25C26 A3B4C25D26 -26.62 3.88 -8.5 -1.4 0
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312859 126609262 2 NOC9H9 ABC9D9 -28.22 4.57 -8.65 -0.19 0
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312860 126609266 1 N2P2O3C17H18 A2B2C3D17E18 -77.75 2.99 -8.43 -0.49 0
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312861 126609268 1 P3N5O8H38C42 A3B5C8D38E42 14.18 2.94 -8.45 -1.83 0
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312862 126609271 1 N3P3O4C26H28 A3B3C4D26E28 -43.73 4.04 -8.5 -1.34 0
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312863 126609273 1 P3N5O7H38C42 A3B5C7D38E42 -59.09 4.14 -8.73 -1.47 0
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312864 126609279 1 BrN2O2H23C26 AB2C2D23E26 12.78 4.05 -8.45 -0.78 0
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312865 126609301 1 N2S2F3O9H23C31 A2B2C3D9E23F31 -386.99 2.3 -9.14 -1.95 0
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312866 126609305 1 Cl6O7N8H28C36 A6B7C8D28E36 -101.84 10.16 -8.98 -1.2 0
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312867 126609306 2 Cl2O2N4H11C15 A2B2C4D11E15 33.06 10.68 -8.91 -1.21 0
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312868 126609307 1 N2S2Cl4O6H16C25 A2B2C4D6E16F25 -154.71 9.23 -9.01 -1.28 0
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312869 126609309 2 N4O4C19H19 A4B4C19D19 -148.65 7.82 -8.83 -0.88 0
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312870 126609311 1 NPO4C21H38 ABC4D21E38 -183.32 2.38 -7.93 0.64 0
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312871 126609347 1 BrN3C8H10 AB3C8D10 53.63 2.96 -8.99 -0.52 0
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312872 126609357 1 S2O9N11C44H55 A2B9C11D44E55 -237.97 11.55 -8.41 -1.07 0
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312873 126609362 1 IN6O8C19H35 AB6C8D19E35 -290.97 3.54 -8.21 -1.48 0
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312874 126609364 1 IN5C12H16 AB5C12D16 70.21 1.41 -8.96 -1.38 0
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312875 126609366 1 N6O9C37H70 A6B9C37D70 -449.01 2.38 -8.66 0.73 0
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312876 126609369 4 O2C5H7 A2B5C7 -337.83 0.19 -10.82 -0.83 0
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312877 126609372 1 ClSN2O3C22H23 ABC2D3E22F23 -68.84 2.48 -8.81 -0.73 0
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312878 126609404 1 SN2O6H18C21 AB2C6D18E21 -189.85 2.52 -9.08 -1.29 0
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312879 126609405 1 NCl2S2O3H11C13 AB2C2D3E11F13 -99.8 2.61 -9.25 -1.29 0
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312880 126609413 1 N2S2O7H16C21 A2B2C7D16E21 -196.99 5.87 -9.08 -2.07 0
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312881 126609420 1 NSO5C17H17 ABC5D17E17 -187.79 9.3 -8.91 -1.35 0
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312882 126609446 4 NO2H5C7 AB2C5D7 -44.67 1.79 -8.96 -2.1 0
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312883 126609478 5 NO3C11H11 AB3C11D11 -479.13 12.17 -8.33 -1.71 0
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312884 126609485 1 N3O3C21H25 A3B3C21D25 -43.99 4.77 -9.04 -0.81 0
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312885 126609494 1 N3O5C26H27 A3B5C26D27 -46.37 5.71 -9.02 -1.78 0
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312886 126609499 1 N8O11C51H52 A8B11C51D52 -317.27 11.59 -8.42 -1.67 0
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312887 126609503 1 N3C6H17 A3B6C17 5.42 2.1 -8.38 2.72 0
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312888 126609507 1 SN2C5H14 AB2C5D14 -5.83 1.86 -8.68 0.28 0
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312889 126609510 1 O2C13H18 A2B13C18 -76.18 1.12 -8.53 0.19 0
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312890 126609517 1 N3C10H17 A3B10C17 43.32 3.77 -8.68 0.0 0
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312891 126609537 1 FN2O3C24H25 AB2C3D24E25 -79.79 5.62 -8.71 -0.77 0
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312892 126609555 1 O2N3H23C25 A2B3C23D25 36.04 7.51 -8.07 -0.33 0
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312893 126609556 1 N2O4H26C27 A2B4C26D27 -72.62 5.94 -8.19 -0.6 0
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312894 126609557 1 N3O5H25C27 A3B5C25D27 -24.52 5.89 -8.94 -1.62 0
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312895 126609563 1 N2O3H16C20 A2B3C16D20 -15.17 3.94 -8.78 -1.31 0
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312896 126609595 1 N3C11H19 A3B11C19 27.84 1.87 -8.84 0.03 0
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312897 126609596 1 NC13H17 AB13C17 22.07 3.62 -9.11 0.36 0
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312898 126609604 1 N3O7C41H45 A3B7C41D45 -143.48 3.44 -9.04 -1.19 0
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312899 126609605 1 N2O3H22C24 A2B3C22D24 7.66 4.22 -8.36 -0.71 0
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312900 126609612 1 NO2C31H65 AB2C31D65 -208.51 0.99 -8.66 1.97 0
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312901 126609614 3 NC4H7 AB4C7 24.61 1.86 -8.89 0.02 0
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312902 126609617 1 FSO5C16H25 ABC5D16E25 -311.01 4.62 -10.46 -0.04 0
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312903 126609637 1 N2O18C103H118 A2B18C103D118 -513.52 4.05 -8.74 0.04 0
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312904 126609644 1 O9H46C54 A9B46C54 -149.57 1.74 -8.93 -0.58 0
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312905 126609645 1 N4O32C69H88 A4B32C69D88 -1361.72 7.29 -10.54 -1.73 0
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312906 126609646 2 N4O8C91H145 A4B8C91D145 -1053.92 2.94 -9.83 -2.43 0
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312907 126609684 1 N3O3C23H25 A3B3C23D25 -24.59 5.86 -8.65 -0.96 0
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312908 126609707 1 BrO2H13C24 AB2C13D24 47.56 2.81 -8.81 -0.99 0
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312909 126609752 1 N3O3C26H27 A3B3C26D27 -7.97 3.83 -8.92 -1.26 0
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312910 126609807 1 ON2S2H12C15 AB2C2D12E15 37.13 2.65 -8.66 -1.28 0
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312911 126609858 1 NF2O3H21C26 AB2C3D21E26 -148.13 0.49 -8.94 -1.04 0
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312912 126609859 1 NSF2O3H19C25 ABC2D3E19F25 -146.6 4.83 -8.63 -1.18 0
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312913 126609883 1 O3C10H16 A3B10C16 -134.06 0.69 -9.74 -0.32 0
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312914 126609886 1 N2O2C13H14 A2B2C13D14 -4.65 2.21 -8.39 -0.29 0
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312915 126609898 1 N2O3C16H18 A2B3C16D18 -73.65 2.55 -9.7 -1.38 0
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312916 126609900 1 N2O3C14H14 A2B3C14D14 -66.1 5.44 -9.8 -1.52 0