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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411797 135084642 1 AgN2C14H14 AB2C14D14 -66.34 14.9 0.0 0.0 2
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411798 135084643 2 AuClPO3C37H53 ABCD3E37F53 -254.61 19.46 -8.45 -1.15 0
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411799 135084644 1 InN2Cl4C8H15 AB2C4D8E15 -143.02 15.32 -10.36 -1.24 0
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411800 135084645 1 RuN3C11H14 AB3C11D14 191.18 10.0 0.0 0.0 0
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411801 135084646 1 O4N5C49H55 A4B5C49D55 -28.14 2.45 -8.66 -0.87 -1
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411803 135084648 1 PdCl4N4C35H66 AB4C4D35E66 -88.66 2.85 -7.67 -3.48 0
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411804 135084649 1 ClOSH11C14 ABCD11E14 -1.3 0.72 -9.06 -0.45 0
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411805 135084650 1 BrFOH6C9 ABCD6E9 -6.62 2.74 -9.01 -0.64 0
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411806 135084651 1 OC14H20 AB14C20 8.14 1.07 -10.23 1.37 0
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411807 135084652 1 ClNOC12H12 ABCD12E12 -10.87 3.47 -9.11 -0.82 0
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411808 135084653 1 IOC15H15 ABC15D15 70.17 0.87 -8.61 -0.86 0
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411809 135084654 1 ON3C11H13 AB3C11D13 66.99 4.88 -9.97 -0.59 0
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411810 135084655 1 FOSiC11H17 ABCD11E17 -142.75 3.59 -9.26 0.13 0
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411811 135084656 1 OC16H18 AB16C18 18.78 2.59 -9.21 0.34 0
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411812 135084657 1 BrO4C11H11 AB4C11D11 -122.76 3.13 -9.91 -0.68 0
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411813 135084658 1 ON3H7C12 AB3C7D12 116.06 1.55 -8.65 -1.61 0
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411814 135084659 1 O2S2C9H10 A2B2C9D10 -18.14 3.12 -8.74 -0.93 0
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411815 135084660 1 N2O2C15H26 A2B2C15D26 -114.41 4.25 -9.12 1.22 -2
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411817 135084662 1 PdO4C5H12 AB4C5D12 -164.64 6.35 -7.65 0.54 0
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411818 135084663 2 PPdO2C17H23 ABC2D17E23 -64.16 13.17 -6.08 0.13 0
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411819 135084664 1 PC33H45 AB33C45 -32.39 1.23 -8.14 0.45 0
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411820 135084665 1 CuCl4N4H24C44 AB4C4D24E44 411.5 4.56 0.0 0.0 0
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411823 135084668 1 VN2O3C45H74 AB2C3D45E74 -207.44 9.55 0.0 0.0 0
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411824 135084669 1 N2O2C45H74 A2B2C45D74 -156.25 4.91 -7.98 -0.5 1
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411825 135084670 1 N2O2F3C28H30 A2B2C3D28E30 -147.86 5.03 0.0 0.0 3
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411827 135084672 1 VN2O4C36H55 AB2C4D36E55 -255.73 2.99 -6.58 -0.65 0
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411828 135084673 1 ZnN2C13H26 AB2C13D26 27.62 1.44 -7.86 -1.79 0
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411829 135084674 2 NOPH21C27 ABCD21E27 112.94 2.99 -8.63 -0.44 0
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411830 135084675 1 ON3F6C17H21 AB3C6D17E21 -358.21 6.44 -8.87 -1.12 0
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411831 135084676 1 N2O2C29H48 A2B2C29D48 -84.99 2.43 -7.8 1.36 0
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411832 135084677 1 OPPdI2N3C29H34 ABCD2E3F29G34 170.13 6.75 -7.32 -0.36 1
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411833 135084678 1 FN2O2C27H32 AB2C2D27E32 -46.19 3.92 0.0 0.0 0
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411834 135084679 2 NC17H18 AB17C18 95.89 2.24 -8.58 0.22 0
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411835 135084680 1 AlN2S2O4F6H15C17 AB2C2D4E6F15G17 -450.96 3.29 -9.75 -1.09 1
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411836 135084681 1 AuClNPO4H55C62 ABCDE4F55G62 69.93 10.13 0.0 0.0 0
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411837 135084682 1 NPO4H54C62 ABC4D54E62 19.2 3.4 -8.6 -0.49 0
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411840 135084685 1 NO2C11H13 AB2C11D13 -75.63 1.28 -9.76 -0.31 -2
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411841 135084686 1 ClRuN4C10H17 ABC4D10E17 79.02 17.84 -7.88 -2.01 0
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411842 135084687 1 BrMgSC2H5 ABCD2E5 -59.08 2.53 -9.12 -0.32 0
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411843 135084688 1 CCs2H6O6 AB2C6D6 -414.11 19.26 -9.3 0.27 0
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411844 135084689 1 FNC16O20H76 ABC16D20E76 -1368.05 8.72 -11.21 -0.17 0
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411845 135084690 1 ZnI2N2C6H16 AB2C2D6E16 2.18 1.84 -8.07 -0.83 0
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411846 135084691 1 BrOC12H15 ABC12D15 -22.24 2.03 -9.62 -0.06 0
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411847 135084692 1 SC13H16 AB13C16 50.81 2.03 -8.2 -0.22 0
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411848 135084693 1 FNOC12H14 ABCD12E14 -72.11 4.82 -8.46 0.12 0
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411849 135084694 1 NSO2C9H11 ABC2D9E11 -44.12 3.27 -7.84 -0.32 1
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411850 135084695 1 PO4C10H12 AB4C10D12 -165.54 3.55 0.0 0.0 0
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411851 135084696 1 O4C11H20 A4B11C20 -207.38 2.48 -10.38 0.24 0
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411853 135084698 1 ClN2H10C12 AB2C10D12 56.98 2.27 0.0 0.0 0
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411854 135084699 2 O2C6H9 A2B6C9 -136.4 1.89 -9.92 -0.47 0
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411855 135084700 1 ON2C13H16 AB2C13D16 -16.02 3.36 -8.33 -0.1 0
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411856 135084701 2 NO2H14C16 AB2C14D16 -17.95 7.0 -7.88 -0.69 0
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411857 135084702 1 NO2Si2F20H33C54 AB2C2D20E33F54 -863.5 4.25 -8.85 -1.46 0
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411858 135084703 1 CaNPbPdO7H13C14 ABCDE7F13G14 -155.02 22.93 -7.98 -2.89 0
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411859 135084704 1 NPPdO2C20H34 ABCD2E20F34 -41.59 4.71 -7.35 0.57 0
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411860 135084705 1 NO2C13H17 AB2C13D17 -66.24 2.88 -8.7 -0.02 0
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411861 135084706 1 ClIN3O3C28H33 ABC3D3E28F33 -67.19 11.42 -7.95 -1.42 1
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411862 135084707 1 N4C24H25 A4B24C25 80.11 4.04 0.0 0.0 0
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411863 135084708 1 PN2O2C32H33 AB2C2D32E33 16.63 2.16 -8.61 -0.68 0
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411864 135084709 1 BrNPO2H37C43 ABCD2E37F43 41.29 1.68 -8.48 -0.7 0
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411865 135084710 1 ClPF4N4C34H36 ABC4D4E34F36 -164.74 5.14 -9.3 -0.4 0
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411866 135084711 1 PO2N4C41H53 AB2C4D41E53 -66.9 2.11 -8.64 0.14 0
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411868 135084713 1 BrON2C38H41 ABC2D38E41 75.97 9.2 -7.99 -1.5 2
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411869 135084714 2 ON2C26H30 AB2C26D30 127.87 11.56 -6.35 -1.33 2
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411870 135084715 2 ON2C26H30 AB2C26D30 139.18 17.31 -5.65 -1.59 0
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411871 135084716 2 BrON2C26H30 ABC2D26E30 93.61 16.76 -7.0 -0.82 0
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411872 135084717 1 Br2O2N4C57H66 A2B2C4D57E66 98.07 16.45 -8.02 -1.26 2
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411873 135084718 2 ON2C28H31 AB2C28D31 153.36 13.9 -6.04 -1.62 0
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411874 135084719 2 BrON2C28H31 ABC2D28E31 114.21 9.62 -7.93 -1.64 2
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411875 135084720 2 ON2C28H31 AB2C28D31 157.64 16.67 -5.98 -1.24 2
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411876 135084721 2 ON2C28H31 AB2C28D31 161.5 27.85 -5.66 -1.89 0
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411877 135084722 2 BrON2C28H31 ABC2D28E31 116.3 16.61 -6.99 -1.51 2
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411878 135084723 2 ON2C28H31 AB2C28D31 151.02 9.13 -5.89 -1.3 0
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411879 135084724 2 BrON2C29H32 ABC2D29E32 128.71 24.29 -6.73 -1.53 2
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411880 135084725 2 ON2C29H32 AB2C29D32 172.21 23.45 -5.84 -1.8 1
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411881 135084726 1 BrO2N4C56H66 AB2C4D56E66 83.79 12.7 0.0 0.0 0
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411882 135084727 1 BrON2C37H39 ABC2D37E39 97.98 13.18 -6.81 -1.15 1
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411883 135084728 1 ON2C37H39 AB2C37D39 75.27 3.57 0.0 0.0 0
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411884 135084729 1 BrN2O2C38H51 AB2C2D38E51 -21.5 13.46 -7.69 -1.36 1
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411885 135084730 1 N2O2C38H51 A2B2C38D51 -2.52 2.65 0.0 0.0 0
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411886 135084735 1 N2O3C29H32 A2B3C29D32 -82.68 4.57 -8.94 -0.45 -2
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411888 135084740 1 BrNO4C18H18 ABC4D18E18 -152.54 3.64 -9.82 -1.91 0
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411890 135084742 1 Rh2O7C33H45 A2B7C33D45 -354.38 26.65 0.0 0.0 0
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411891 135084743 1 O3C17H24 A3B17C24 -149.02 6.36 -9.42 0.22 0
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411894 135084746 1 AuClNPO4C46H47 ABCDE4F46G47 -42.4 6.97 0.0 0.0 0
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411895 135084747 1 PdN4C10H18 AB4C10D18 120.48 0.89 -7.01 1.32 -1
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411896 135084748 1 AuClN2C10H13 ABC2D10E13 71.89 15.58 0.0 0.0 0
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411897 135084749 2 NC5H7 AB5C7 32.74 2.65 -7.22 0.39 0
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411899 135084751 1 LiNZnMg2Cl5C9H18 ABCD2E5F9G18 -444.0 11.53 0.0 0.0 -1
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411900 135084752 1 NZnLi2Mg2Cl6C9H18 ABC2D2E6F9G18 -685.59 11.73 0.0 0.0 0
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411902 135084754 1 IO8C35H35 AB8C35D35 -229.66 5.6 -8.74 -1.29 0
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411904 135084756 1 N5H35C47 A5B35C47 325.95 4.38 -7.47 -1.64 0
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411906 135084760 1 NO2H9C10 AB2C9D10 -54.59 4.29 -8.65 -0.78 0
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411907 135084761 1 OC14H14 AB14C14 57.03 1.35 -9.61 0.19 0
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411908 135084762 1 NSO2H9C10 ABC2D9E10 64.69 4.4 -8.52 -1.2 0
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411909 135084763 1 O3C13H18 A3B13C18 -97.65 1.96 -9.97 -0.58 0
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411910 135084766 1 OC14H22 AB14C22 -19.32 3.32 -9.72 0.05 0
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411911 135084767 1 Br3F3H4C9 A3B3C4D9 -114.05 2.26 -10.1 -1.25 0
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411912 135084768 1 C17H18 A17B18 69.28 1.61 -8.83 0.3 0
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411913 135084769 1 N2O2C13H14 A2B2C13D14 -32.1 3.15 -8.8 -0.82 0