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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229781 87568987 1 NO7C17H17 AB7C17D17 -240.49 3.31 -8.69 -0.44 0
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229782 87568994 1 NO5C11H13 AB5C11D13 -188.89 8.65 -8.98 -1.23 -6
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229783 87568995 1 FeP2C32H52 AB2C32D52 -78.06 4.42 -7.21 -0.47 0
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229784 87568996 1 P2C27H48 A2B27C48 -71.6 2.43 -7.93 0.6 0
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229785 87569008 2 O2C14H27 A2B14C27 -280.98 7.05 -10.42 0.25 0
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229786 87569013 1 NSO3C6H13 ABC3D6E13 -160.98 2.13 -9.36 0.05 3
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229787 87569023 1 NaN3O6C78H139 AB3C6D78E139 -423.75 10.69 0.0 0.0 0
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229788 87569027 2 N2O2H8C11 A2B2C8D11 11.21 16.28 -8.94 -2.18 0
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229789 87569041 1 NO6C28H31 AB6C28D31 -168.42 3.91 -8.81 -0.38 0
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229790 87569045 1 OBr2H8C9 AB2C8D9 -7.97 1.47 -8.94 -0.83 0
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229791 87569054 1 CoSO3C6H6 ABC3D6E6 -60.06 4.43 0.0 0.0 0
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229792 87569061 1 O10C27H48 A10B27C48 -527.19 4.98 -10.55 -0.75 0
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229793 87569070 1 ClPSN2O5C18H26 ABCD2E5F18G26 -259.56 11.01 -8.89 -1.45 0
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229795 87569083 1 N2O3F6H22C23 A2B3C6D22E23 -429.85 3.05 -9.44 -1.2 0
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229796 87569084 2 OC9H18 AB9C18 -172.96 1.74 -10.59 0.87 0
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229797 87569085 1 SF3N3O6H28C30 AB3C3D6E28F30 -304.97 9.24 -8.44 -1.46 0
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229798 87569086 1 SF3O5H9C13 AB3C5D9E13 -314.9 8.75 -9.56 -1.42 0
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229799 87569087 1 SF3N3O6H26C30 AB3C3D6E26F30 -299.16 5.8 -8.54 -0.83 0
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229800 87569096 1 N2O2F6H18C25 A2B2C6D18E25 -323.44 6.96 -9.76 -1.08 0
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229801 87569098 2 OC11H22 AB11C22 -192.4 1.96 -10.66 0.87 0
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229802 87569110 1 NSCl2O5C14H15 ABC2D5E14F15 -132.09 6.52 -9.9 -0.84 0
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229803 87569112 1 NOC20H35 ABC20D35 -69.35 3.85 -9.32 0.43 0
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229804 87569115 1 Br2N2H8C9 A2B2C8D9 75.52 3.54 -8.76 -0.71 0
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229805 87569125 1 SN2O3H18C19 AB2C3D18E19 6.25 3.48 -9.08 -1.23 0
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229806 87569126 3 NO2H9C10 AB2C9D10 -82.5 2.72 -8.94 -1.1 0
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229807 87569128 1 N3O3C23H25 A3B3C23D25 -1.31 8.6 -8.34 -0.89 0
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229808 87569133 1 SN4O5H20C22 AB4C5D20E22 -83.55 3.86 -9.07 -1.09 0
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229809 87569139 1 S2O3C16H22 A2B3C16D22 -135.23 3.64 -8.43 0.3 0
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229810 87569142 1 O2N3F7H16C26 A2B3C7D16E26 -341.31 3.46 -10.18 -1.26 0
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229811 87569144 1 NSiC2O3H9 ABC2D3E9 -210.27 2.32 -9.25 -1.62 0
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229812 87569145 1 NSiC2O4H11 ABC2D4E11 -311.86 2.0 -9.16 0.87 0
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229814 87569169 1 O2N3F6H23C27 A2B3C6D23E27 -324.59 7.52 -8.37 -1.04 0
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229815 87569186 1 OSC12H14 ABC12D14 -17.21 2.03 -8.87 -0.25 0
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229816 87569190 1 NO2H21C22 AB2C21D22 106.9 6.42 -8.37 -0.87 0
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229817 87569191 1 NO2C16H17 AB2C16D17 -9.87 6.45 -8.41 -0.89 0
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229818 87569203 1 BrSC2F2H3O3 ABC2D2E3F3 -224.97 3.83 -11.68 -1.78 2
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229819 87569206 4 INH7C8 ABC7D8 387.13 15.3 -7.15 -2.71 0
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229820 87569229 1 F4O4C15H16 A4B4C15D16 -353.47 5.63 -9.27 -0.29 0
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229822 87569239 1 BrClNO4H17C19 ABCD4E17F19 -57.86 2.01 -8.96 -0.84 0
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229823 87569242 2 C3O3H5 A3B3C5 -131.57 5.34 -10.67 -1.76 0
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229824 87569248 1 SO6C14H18 AB6C14D18 -224.61 6.7 -9.64 -0.71 0
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229825 87569250 2 OC10H20 AB10C20 -167.44 0.77 -9.52 1.39 0
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229827 87569274 1 NP2C35H37 AB2C35D37 91.13 1.05 -7.99 0.18 0
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229828 87569282 1 OS2F3N4C13H19 AB2C3D4E13F19 -172.76 6.15 -8.99 -0.57 0
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229829 87569299 1 SN3O3F6H17C26 AB3C3D6E17F26 -288.04 5.29 -9.64 -1.89 0
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229830 87569305 1 N2S2O5C12H24 A2B2C5D12E24 -249.07 5.36 -8.84 0.3 0
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229831 87569322 1 Cl2N2O3H18C19 A2B2C3D18E19 -26.2 5.67 -8.76 -0.48 0
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229832 87569324 1 F3N4O5H23C26 A3B4C5D23E26 -227.63 4.25 -9.49 -1.23 0
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229833 87569325 1 I6N6O15C32H38 A6B6C15D32E38 -458.57 7.06 -10.02 -2.4 0
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229834 87569326 1 OSCl2N4C12H14 ABC2D4E12F14 -25.76 1.9 -8.84 -0.68 0