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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298797 117656924 1 SO6C16H16 AB6C16D16 -213.31 5.65 -9.39 -1.01 0
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298798 117656925 1 SO6C18H20 AB6C18D20 -220.49 6.05 -9.41 -1.02 0
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298799 117656939 1 SO8H12C15 AB8C12D15 -269.35 8.96 -9.46 -1.31 0
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298800 117656940 1 O2C23H32 A2B23C32 -111.04 2.13 -8.44 0.35 0
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298801 117656979 1 FO4H21C30 AB4C21D30 -8.88 4.09 -8.8 -1.13 0
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298802 117657027 1 FO4H25C30 AB4C25D30 -89.71 1.69 -8.74 -0.72 0
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298803 117657034 2 O2H13C15 A2B13C15 -43.79 1.74 -8.56 -0.7 0
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298804 117657136 1 F3O4H21C31 A3B4C21D31 -123.05 6.23 -8.76 -1.22 0
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298805 117657271 1 FO4H27C36 AB4C27D36 -35.78 3.13 -8.72 -0.73 1
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298806 117657360 1 SN2O3C28H43 AB2C3D28E43 -120.7 1.44 0.0 0.0 0
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298807 117657461 1 O7N8C46H48 A7B8C46D48 -185.44 3.78 -8.2 -0.83 0
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298808 117657525 1 OF4N4H16C23 AB4C4D16E23 -129.83 3.86 -8.82 -0.98 0
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298809 117657581 1 ON5H19C21 AB5C19D21 74.47 3.59 -8.47 -1.06 0
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298810 117657590 1 ClN5H14C19 AB5C14D19 112.81 5.95 -8.97 -1.41 0
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298811 117658372 1 N5H17C20 A5B17C20 123.25 4.74 -8.98 -0.79 0
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298812 117658718 1 FON4H19C22 ABC4D19E22 21.19 1.57 -8.41 -1.01 0
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298813 117658978 1 F2O2N5H21C25 A2B2C5D21E25 -41.62 5.8 -8.63 -1.23 0
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298814 117659039 1 FON4H19C22 ABC4D19E22 23.89 1.63 -8.52 -1.13 0
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298815 117659136 1 FON6C27H29 ABC6D27E29 28.96 2.02 -8.42 -1.02 0
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298816 117659167 1 FON6H21C25 ABC6D21E25 74.64 3.68 -8.64 -1.14 0
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298817 117659179 2 FON2H11C12 ABC2D11E12 -61.32 2.64 -8.43 -1.04 0
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298818 117659204 1 OF2N4H22C24 AB2C4D22E24 -31.79 4.26 -8.51 -1.0 0
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298819 117659224 1 OF2N6H20C25 AB2C6D20E25 27.86 4.11 -8.64 -1.14 0
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298820 117659268 1 F2O2N4H18C25 A2B2C4D18E25 -19.58 2.3 -8.65 -1.13 0
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298821 117659314 1 FON4H17C21 ABC4D17E21 35.68 3.3 -8.3 -0.93 0
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298822 117659352 1 OF2N5H15C20 AB2C5D15E20 6.3 5.19 -8.65 -1.08 0
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298824 117659393 1 ClFN2O4H24C27 ABC2D4E24F27 -117.22 5.42 -8.32 -0.81 0
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298825 117659447 1 N2O11C31H44 A2B11C31D44 -430.61 3.38 -8.29 -0.27 0
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298827 117659506 1 OH18C21 AB18C21 23.41 0.85 -8.64 -0.62 0
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298828 117659514 2 NOH25C39 ABC25D39 288.04 1.23 -7.78 -0.67 0
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298829 117659577 1 ON4H28C45 AB4C28D45 209.38 0.54 -8.33 -1.23 0
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298830 117659686 1 ON3H31C50 AB3C31D50 212.31 1.79 -8.32 -1.09 0
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298831 117659797 2 ON2H21C35 AB2C21D35 276.87 2.96 -8.26 -1.29 0
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298832 117659827 1 ON3H29C46 AB3C29D46 200.31 3.63 -8.25 -0.86 0
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298833 117660052 2 O3H25C29 A3B25C29 -66.08 3.38 -8.26 -1.17 0
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298834 117660231 1 SBr2O2C9H10 AB2C2D9E10 -56.86 5.21 -10.24 -1.17 0
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298835 117660361 1 ON4H20C21 AB4C20D21 79.17 2.64 -8.73 -0.92 0
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298836 117660665 1 N4O6C39H44 A4B6C39D44 -137.2 4.8 -8.74 -0.53 0
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298837 117660823 1 SO2N3C27H35 AB2C3D27E35 -57.3 5.91 -8.54 -0.48 0
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298838 117661193 1 O6N9C35H45 A6B9C35D45 -135.13 4.06 -9.16 -1.02 0
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298839 117661201 1 BrNO2F4H6C13 ABC2D4E6F13 -188.73 2.08 -10.12 -1.47 0
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298840 117661619 1 N3O3C24H25 A3B3C24D25 -64.15 4.84 -8.9 -0.78 0
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298841 117661620 1 S4O35N39C135H207 A4B35C39D135E207 -1483.32 14.66 -8.15 -0.8 0
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298842 117661623 1 N3O3C23H23 A3B3C23D23 -57.16 1.8 -9.08 -1.64 0
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298843 117661624 1 S4O37N40C138H212 A4B37C40D138E212 -1465.7 12.29 -7.94 -0.91 0
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298844 117661636 1 N4O60C83H138 A4B60C83D138 -2715.07 29.09 -9.87 -0.15 0
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298846 117661672 1 ClFN3O4H23C26 ABC3D4E23F26 -129.06 5.5 -9.07 -0.94 0
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298847 117661681 1 SN3O3C20H23 AB3C3D20E23 -73.64 4.77 -9.06 -1.52 0
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298848 117661682 1 ON5H43C46 AB5C43D46 177.64 7.77 -9.1 -0.64 0
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298849 117661736 1 SN4H26C42 AB4C26D42 245.6 1.6 -8.07 -1.43 0
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298850 117661737 1 FPN5O8C18H25 ABC5D8E18F25 -412.68 10.07 -9.24 -0.82 0
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298851 117661744 1 O3H7C12F13 A3B7C12D13 -751.57 4.13 -10.79 -0.9 0
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298852 117661750 1 ON2C18H20 AB2C18D20 8.2 2.99 -8.21 -0.63 0
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298853 117661757 1 O2N3C25H33 A2B3C25D33 -52.23 8.14 -8.8 -0.81 0
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298854 117661760 1 O2N3C24H25 A2B3C24D25 -4.99 8.08 -9.24 -0.88 0
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298855 117661765 1 OC29H48 AB29C48 -116.01 2.58 -9.23 1.37 0
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298856 117661768 1 OC29H50 AB29C50 -136.34 2.61 -9.24 1.37 0
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298857 117661776 1 NO6C32H37 AB6C32D37 -233.18 6.01 -8.45 0.03 0
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298858 117661778 1 N2O3C28H30 A2B3C28D30 -60.44 1.77 -8.3 -0.65 0
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298859 117661845 1 SN3C11H17 AB3C11D17 31.08 5.68 -8.62 -0.22 0
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298860 117661886 1 Cl2N5H19C25 A2B5C19D25 148.19 5.7 -8.3 -2.06 0
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298861 117661902 1 O5N7H41C43 A5B7C41D43 -85.57 7.15 -8.45 -0.68 0
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298862 117661914 1 O5N6C36H40 A5B6C36D40 -148.64 8.59 -7.82 -0.51 0
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298863 117661946 2 O3N5C21H24 A3B5C21D24 -159.84 8.0 -8.81 -1.33 0
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298864 117661956 1 O6N7C40H43 A6B7C40D43 -171.13 5.9 -8.8 -1.09 0
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298865 117661974 1 FO7N8H43C47 AB7C8D43E47 -172.21 4.9 -8.94 -1.33 0
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298866 117662007 1 N6O9C46H48 A6B9C46D48 -297.41 4.83 -8.29 -0.62 0
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298867 117662011 1 BrN4O4H27C30 AB4C4D27E30 -92.28 11.15 -8.07 -0.58 0
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298868 117662013 1 O7N8C43H52 A7B8C43D52 -224.03 1.54 -8.77 -1.13 0
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298869 117662021 1 N7O8C53H55 A7B8C53D55 -248.47 6.0 -8.1 -0.51 0
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298870 117662022 1 ON5H23C26 AB5C23D26 96.26 4.3 -9.07 -0.85 0
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298872 117662246 1 OC22H36 AB22C36 -111.87 1.98 -9.22 1.52 0
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298873 117662258 1 N2O3C18H20 A2B3C18D20 -88.6 7.43 -8.82 -0.97 0
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298874 117662319 1 BrSN2O2C12H13 ABC2D2E12F13 -21.48 5.21 -8.99 -1.15 0
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298875 117662335 1 BrNO4C18H18 ABC4D18E18 -128.46 2.98 -9.02 -0.45 0
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298876 117662341 1 O5C15H18 A5B15C18 -210.74 1.91 -8.92 -0.19 0
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298877 117662346 1 NO5C25H25 AB5C25D25 -143.78 4.9 -8.77 -0.43 0
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298878 117662371 1 SN4O10C48H62 AB4C10D48E62 -385.2 8.73 -8.67 -0.82 0
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298879 117662666 2 N2H19C27 A2B19C27 249.62 1.58 -8.37 -1.18 0
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298880 117662686 2 N2H17C25 A2B17C25 226.1 1.46 -8.38 -1.19 0
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298881 117662707 2 N3H18C23 A3B18C23 207.76 0.29 -8.93 -0.89 0
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298882 117662934 1 N4H34C51 A4B34C51 244.32 1.69 -8.62 -1.13 0
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298883 117663326 1 NBr2C7H9 AB2C7D9 10.3 5.65 -8.61 0.17 0
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298884 117663329 1 ClOSC9H11 ABCD9E11 -29.62 3.58 -8.53 -0.34 0
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298885 117663336 1 O9N11C55H71 A9B11C55D71 -327.2 1.76 -8.01 -0.11 0
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298886 117663436 1 N6O6C21H22 A6B6C21D22 -176.46 1.76 -9.04 -1.52 0
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298887 117663552 2 O7C10H18 A7B10C18 -653.6 6.9 -10.33 0.62 0
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298888 117663556 1 N6O7C9H10 A6B7C9D10 59.95 11.71 -10.36 -1.56 0
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298891 117663718 1 SO6C30H40 AB6C30D40 -243.36 4.74 -9.49 -1.07 0
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298897 117663972 1 OC15H26 AB15C26 -70.69 2.77 -10.0 -0.15 0
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298898 117663980 1 ClN4C5H5 AB4C5D5 73.32 2.23 -8.9 -0.85 0
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298900 117663983 1 N3C6H7 A3B6C7 56.26 4.92 -9.0 -0.65 0
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298904 117663997 1 FN2C7H7 AB2C7D7 18.92 2.28 -8.64 -0.68 0
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298907 117664156 1 F2C15H20 A2B15C20 -103.03 3.59 -9.44 -0.12 0
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298908 117664218 1 ClON5H20C22 ABC5D20E22 58.87 7.04 -8.75 -0.97 0
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298909 117664297 1 N2O2C21H24 A2B2C21D24 -23.26 4.9 -8.32 -0.34 0
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298910 117664311 2 O2C11H15 A2B11C15 -169.7 5.31 -8.99 -0.47 0
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298911 117664312 1 O2N5C18H19 A2B5C18D19 -13.67 8.4 -8.88 -0.81 0
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298912 117664316 1 N5C15H21 A5B15C21 57.97 2.16 -8.42 -0.16 0
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298913 117664319 1 FO2N5C16H20 AB2C5D16E20 -78.34 5.08 -9.4 -0.9 0