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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45796 10517691 1 NO2H17C19 AB2C17D19 -5.43 7.04 -8.9 -0.63 0
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45797 10517705 1 O2N3C16H25 A2B3C16D25 -85.43 1.37 -8.46 0.45 0
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45798 10517718 1 ISC10H13 ABC10D13 61.31 2.46 -8.67 -0.85 0
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45799 10517719 1 SN2F3O3H7C10 AB2C3D3E7F10 -237.03 4.17 -9.22 -1.17 0
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45800 10517720 1 OF5H13C14 AB5C13D14 -264.11 3.17 -9.34 -0.25 0
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45801 10517740 1 O3H16C19 A3B16C19 -63.86 2.37 -9.32 -1.2 0
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45802 10517743 1 N2O4C15H20 A2B4C15D20 -128.64 6.2 -8.24 -0.3 0
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45803 10517747 2 NOH8C9 ABC8D9 5.54 4.92 -9.39 -0.66 0
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45804 10517749 1 SO4C15H16 AB4C15D16 -93.47 3.43 -8.14 -0.2 0
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45805 10517755 1 SN2O3C14H16 AB2C3D14E16 -79.62 7.8 -8.61 -0.91 0
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45806 10517759 1 O4C17H24 A4B17C24 -149.43 2.69 -8.84 0.22 0
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45807 10517762 1 O4C17H24 A4B17C24 -183.87 1.69 -9.6 0.09 0
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45808 10517784 2 C11H14 A11B14 46.92 1.27 -8.56 0.31 0
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45809 10517800 1 BrO2C13H25 AB2C13D25 -115.28 1.25 -10.12 -0.38 0
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45810 10517806 1 NOF3H14C16 ABC3D14E16 -149.56 4.02 -8.76 -0.22 0
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45811 10517809 1 NO5C15H19 AB5C15D19 -179.24 3.84 -8.27 -0.02 0
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45812 10517814 1 NO3H15C18 AB3C15D18 -74.09 3.78 -8.94 -0.94 0
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45813 10517818 1 ON5H15C16 AB5C15D16 110.19 4.81 -8.72 -0.65 0
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45814 10517829 1 ON3C18H19 AB3C18D19 4.95 6.68 -8.8 -0.38 0
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45815 10517831 1 N5C17H19 A5B17C19 81.23 6.59 -8.8 -0.91 0
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45816 10517841 1 NOC20H23 ABC20D23 -4.23 2.57 -8.97 0.45 0
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45817 10517845 1 NOC19H35 ABC19D35 -103.34 4.36 -9.25 1.2 0
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45818 10517851 1 ClN3H12C17 AB3C12D17 115.81 8.34 -9.47 -0.98 0
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45819 10517871 1 N2O3H14C17 A2B3C14D17 -44.86 1.55 -8.74 -0.56 0
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45820 10517875 1 FON2H15C18 ABC2D15E18 -6.6 4.72 -9.06 -0.54 0
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45821 10517878 1 SN2O4C13H14 AB2C4D13E14 -124.12 7.0 -8.86 -0.21 0
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45822 10517880 1 O5C16H22 A5B16C22 -210.0 1.06 -9.46 0.26 0
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45823 10517881 1 O5C16H22 A5B16C22 -196.6 4.28 -9.45 -0.23 0
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45824 10517899 2 O3C7H15 A3B7C15 -295.37 5.06 -9.72 1.85 0
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45825 10517914 1 OC21H26 AB21C26 -40.7 2.0 -8.99 0.35 0
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45826 10517924 1 ClO3C16H19 AB3C16D19 -47.93 2.22 -9.59 -0.37 0
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45827 10517942 1 N3O3H13C16 A3B3C13D16 -53.92 8.95 -9.72 -1.62 0
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45828 10517950 1 NO5C15H21 AB5C15D21 -190.52 2.39 -9.34 -0.62 0
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45829 10517956 1 O2N3C17H17 A2B3C17D17 -26.63 2.5 -8.71 -0.58 0
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45830 10517974 1 NH17C22 AB17C22 103.36 1.59 -8.82 -0.55 0
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45831 10518027 1 N2O5C14H20 A2B5C14D20 -133.5 6.53 -9.5 -1.45 0
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45832 10518044 1 O5C16H24 A5B16C24 -209.51 2.86 -8.63 0.07 0
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45833 10518047 1 O3C19H20 A3B19C20 -96.68 2.9 -9.64 -0.59 0
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45834 10518048 1 O3C19H20 A3B19C20 -81.88 3.43 -9.03 -0.42 0
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45835 10518055 1 SO4C15H20 AB4C15D20 -174.1 6.63 -8.95 -0.44 0
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45836 10518071 1 SiO3C16H28 AB3C16D28 -177.5 2.23 -8.38 0.04 0
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45837 10518072 1 SiO3C16H28 AB3C16D28 -162.28 2.25 -9.3 0.14 0
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45838 10518075 1 O2C19H36 A2B19C36 -134.39 4.8 -9.76 -0.06 0
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45839 10518090 1 BrO3C13H13 AB3C13D13 -78.98 2.15 -8.9 -0.91 0
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45840 10518101 1 SO2F3N3C10H14 AB2C3D3E10F14 -203.4 6.4 -9.43 -0.36 0
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45841 10518131 1 NO2C19H23 AB2C19D23 -42.13 1.05 -8.48 0.31 0
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45842 10518135 1 ON3C18H23 AB3C18D23 3.07 2.87 -8.5 -0.06 0
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45843 10518146 1 ClNO3C15H20 ABC3D15E20 -134.27 2.61 -9.43 -0.25 0
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45844 10518181 1 ON6C15H18 AB6C15D18 76.7 4.83 -8.35 -0.52 0
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45845 10518182 1 ON6C15H18 AB6C15D18 43.41 3.87 -8.55 -0.11 0
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45846 10518184 1 SN2O2H14C16 AB2C2D14E16 23.94 6.78 -8.6 -0.98 0
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45847 10518185 1 SO3N4C12H18 AB3C4D12E18 -54.46 6.2 -8.73 0.14 0
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45848 10518192 2 NOC9H11 ABC9D11 -68.15 4.88 -8.65 -0.48 0
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45849 10518207 1 ON2C19H26 AB2C19D26 -19.69 1.74 -9.42 0.07 0
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45850 10518210 1 N2O2C17H34 A2B2C17D34 -126.94 2.54 -8.7 0.71 0
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45851 10518231 1 ClOS4C9H11 ABC4D9E11 -37.41 1.84 -8.98 -2.02 1
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45852 10518234 1 NO2C9H18 AB2C9D18 -61.36 2.39 0.0 0.0 0
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45853 10518246 1 N3O3C16H17 A3B3C16D17 -88.9 8.39 -8.57 -0.96 0
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45854 10518251 1 NO5C15H25 AB5C15D25 -250.13 6.59 -10.1 0.16 0
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45855 10518260 1 O2N3C17H21 A2B3C17D21 -67.6 3.58 -8.35 -0.42 0
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45856 10518261 1 O2N3C17H21 A2B3C17D21 -20.74 2.23 -8.32 0.06 0
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45857 10518263 1 NSO4C14H21 ABC4D14E21 -153.65 4.47 -9.54 0.02 0
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45858 10518284 1 IN2O2C8H17 AB2C2D8E17 -69.27 13.38 -7.82 -1.07 0
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45859 10518304 1 SO4H12C16 AB4C12D16 -116.35 4.38 -9.09 -1.2 0
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45860 10518308 2 O2C9H10 A2B9C10 -131.82 2.8 -8.75 -0.16 0
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45861 10518314 1 N2O3C17H20 A2B3C17D20 -91.67 1.94 -9.72 -0.07 0
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45862 10518319 1 SN2O4C13H20 AB2C4D13E20 -172.69 3.95 -9.31 -0.74 0
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45863 10518333 2 OC10H14 AB10C14 -114.48 1.58 -8.66 0.31 0
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45864 10518337 2 OC10H14 AB10C14 -83.66 3.4 -8.55 0.43 0
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45865 10518342 1 SiO4C15H28 AB4C15D28 -253.11 1.93 -9.07 1.06 0
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45866 10518345 2 NC10H16 AB10C16 -14.6 2.52 -8.68 0.49 0
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45867 10518352 1 ClFO2H10C17 ABC2D10E17 -53.31 5.76 -9.86 -1.03 0
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45868 10518353 1 ClN2O4C13H17 AB2C4D13E17 -149.7 5.63 -9.7 -0.38 0
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45869 10518387 1 NO6C14H23 AB6C14D23 -294.29 6.29 -9.99 0.1 0
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45870 10518415 1 NSO2C17H19 ABC2D17E19 -30.87 6.04 -9.23 -0.43 0
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45871 10518439 1 ClNOC18H20 ABCD18E20 -20.3 5.65 -9.41 -0.35 0
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45872 10518447 1 OSN2F3C13H13 ABC2D3E13F13 -143.11 4.34 -8.87 -0.63 0
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45873 10518483 1 O3C19H26 A3B19C26 -142.05 4.89 -8.99 -0.02 0
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45874 10518501 1 SiO3C16H34 AB3C16D34 -234.14 2.26 -9.18 1.22 0
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45875 10518503 1 ClO3H15C17 AB3C15D17 -98.25 4.31 -9.33 -0.5 0
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45876 10518517 1 PN5O5C9H14 AB5C5D9E14 -202.38 3.94 -9.25 -0.7 0
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45877 10518538 1 NO4C17H21 AB4C17D21 -148.99 5.67 -9.53 -0.52 0
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45878 10518551 1 NSO2C17H21 ABC2D17E21 -53.16 5.29 -9.28 -0.39 0
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45879 10518575 1 FNCl2O2H12C13 ABC2D2E12F13 -115.4 3.39 -9.12 -0.92 0
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45880 10518579 1 O2F5H9C14 A2B5C9D14 -280.62 2.46 -9.29 -1.36 0
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45881 10518606 1 O3N4C15H20 A3B4C15D20 12.22 4.55 -8.82 -1.77 0
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45882 10518613 1 PO4C15H29 AB4C15D29 -265.46 2.76 -9.78 0.5 0
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45883 10518616 2 O2C9H12 A2B9C12 -168.16 2.36 -8.96 -0.65 0
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45884 10518664 1 NSO5H11C14 ABC5D11E14 -141.1 2.48 -9.01 -0.91 0
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45885 10518679 1 NO4C17H23 AB4C17D23 -186.72 5.0 -9.57 0.0 0
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45886 10518715 2 O3C8H9 A3B8C9 -192.34 3.31 -10.2 -0.82 0
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45887 10518720 2 N2O2C7H9 A2B2C7D9 14.09 9.21 -9.65 -1.75 0
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45888 10518741 1 N2O3C17H22 A2B3C17D22 -82.84 3.23 -8.68 -0.06 0
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45889 10518742 2 O2C9H13 A2B9C13 -167.1 2.18 -9.0 1.05 0
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45890 10518756 1 SN2O2C16H22 AB2C2D16E22 -80.96 4.8 -8.41 0.02 0
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45891 10518772 1 ClOC19H27 ABC19D27 -40.8 4.95 -8.76 -0.54 0
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45892 10518773 1 BrNOCl2H6C10 ABCD2E6F10 -3.85 1.47 -9.3 -1.4 0
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45893 10518777 1 BrO5C11H15 AB5C11D15 -184.42 2.77 -10.15 -0.61 0
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45894 10518786 1 NO3F4C13H13 AB3C4D13E13 -327.42 1.72 -10.02 -1.33 0
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45895 10518788 1 BrC17H23 AB17C23 -21.81 3.16 -9.12 0.16 0