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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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88747 49956489 1 SCl3N3C14H15 AB3C3D14E15 74.85 3.71 0.0 0.0 -1
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88748 49956502 1 SCl2N5C17H18 AB2C5D17E18 154.78 4.64 0.0 0.0 0
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88749 49956509 1 SN2O5H20C23 AB2C5D20E23 -114.82 3.86 -8.74 -1.18 -1
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88750 49956510 1 ClSN2O6C23H24 ABC2D6E23F24 -155.62 3.59 0.0 0.0 -1
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88751 49956512 1 ClNOF3H14C19 ABCD3E14F19 -124.32 4.21 0.0 0.0 -2
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88752 49956513 2 ClNC5H8 ABC5D8 178.87 1.98 -9.04 -8.33 -1
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88753 49956514 1 NOCl2F3H11C14 ABC2D3E11F14 -105.38 6.02 0.0 0.0 -1
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88754 49956515 1 NOCl2C8H10 ABC2D8E10 -28.63 3.19 0.0 0.0 -1
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88755 49956516 1 BrN2O3H10C12 AB2C3D10E12 41.76 6.2 0.0 0.0 -2
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88757 49956522 1 ClON3C28H29 ABC3D28E29 63.18 5.66 0.0 0.0 -1
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88758 49956523 1 ClON2C3H6 ABC2D3E6 3.7 3.67 0.0 0.0 -1
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88759 49956525 1 ClOSN3C13H15 ABCD3E13F15 51.65 1.43 0.0 0.0 -2
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88760 49956529 1 Cl2N2F3C11H13 A2B2C3D11E13 -9.13 58.2 -5.06 -5.06 0
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88761 49956579 1 SN3O4C18H25 AB3C4D18E25 -126.13 5.13 -9.59 -1.58 0
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88762 49956582 1 SN3O6C18H19 AB3C6D18E19 -118.7 6.52 -9.67 -2.06 0
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88763 49956611 1 BrN3O3H18C19 AB3C3D18E19 -34.85 1.85 -9.15 -1.56 0
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88764 49956612 1 O2N3C22H25 A2B3C22D25 -20.33 4.72 -9.08 -0.22 0
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88765 49956645 1 O2N3C23H27 A2B3C23D27 -25.99 3.09 -9.12 -0.22 0
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88766 49956648 1 N3O3H21C23 A3B3C21D23 -29.17 1.81 -8.76 -1.13 0
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88767 49956658 1 NCl3H16C22 AB3C16D22 52.98 4.54 -8.53 -0.77 0
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88768 49956659 1 NCl4H13C18 AB4C13D18 26.17 4.13 -8.65 -0.61 0
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88769 49956662 1 ClN2H15C19 AB2C15D19 81.25 5.09 -8.75 -0.54 0
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88770 49956663 1 ClNO2H18C20 ABC2D18E20 -36.23 3.62 -8.69 -0.52 0
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88771 49956665 1 NCl4H13C18 AB4C13D18 26.11 2.69 -8.67 -0.62 0
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88772 49956666 1 NOC23H25 ABC23D25 -2.52 6.07 -8.45 -0.2 0
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88773 49956682 1 ClSN2O3H23C25 ABC2D3E23F25 -41.87 6.36 -8.17 -0.65 0
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88774 49956697 1 SN3O4H25C26 AB3C4D25E26 -18.74 6.64 -8.61 -1.7 0
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88775 49956702 1 SN3O5H23C25 AB3C5D23E25 -34.91 5.92 -8.17 -1.71 0
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88776 49956703 1 NOCl3H20C25 ABC3D20E25 22.82 5.81 -8.49 -0.48 0
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88777 49956748 1 BrNH16C18 ABC16D18 62.55 1.36 -8.38 -0.34 0
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88778 49956753 1 N2O3C21H26 A2B3C21D26 -113.8 6.31 -8.98 -0.48 0
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88779 49956761 1 ClN3O4C19H20 AB3C4D19E20 -105.07 6.22 -8.66 -0.46 0
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88780 49956776 1 N3O3C23H29 A3B3C23D29 -94.11 4.35 -8.73 -0.26 0
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88781 49956787 1 BrSN3O3C26H26 ABC3D3E26F26 -46.39 10.69 -8.37 -0.86 0
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88782 49956788 1 BrClN3O3C21H23 ABC3D3E21F23 -87.82 4.41 -8.74 -0.88 0
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88783 49956789 1 SN3O4H25C26 AB3C4D25E26 -12.01 1.77 -8.92 -1.71 0
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88784 49956809 1 NOCl3H16C19 ABC3D16E19 -5.17 5.76 -8.51 -0.48 0
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88785 49956811 1 BrNH16C18 ABC16D18 61.92 3.91 -8.41 -0.05 0
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88786 49956814 1 N2O3C24H30 A2B3C24D30 -105.95 4.52 -9.03 -0.22 0
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88787 49956818 2 N2O2C18H25 A2B2C18D25 -186.72 8.77 -9.04 -0.13 0
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88788 49956835 1 N2O3C18H20 A2B3C18D20 -99.64 3.21 -8.95 -0.38 0
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88789 49956836 1 SN3O3C25H31 AB3C3D25E31 -94.19 8.26 -8.85 -1.02 0
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88790 49956838 4 NOC7H9 ABC7D9 -174.67 7.79 -9.04 -0.52 0
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88791 49956839 1 BrFSN3O4H21C24 ABCD3E4F21G24 -119.38 10.32 -8.96 -1.26 0
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88792 49956840 1 FSN3O3H24C25 ABC3D3E24F25 -97.13 3.72 -8.93 -0.99 0
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88793 49956841 1 BrFSN3O4H21C24 ABCD3E4F21G24 -123.31 6.08 -8.92 -1.45 0
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88794 49956842 1 N2O3C17H18 A2B3C17D18 -91.77 2.98 -9.18 -0.38 0
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88795 49956857 1 FN2O3H21C23 AB2C3D21E23 -111.33 4.48 -8.98 -0.57 0
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88796 49956863 2 ClNO2C10H11 ABC2D10E11 -144.53 2.92 -9.27 -0.7 0
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88797 49956868 1 N2O3C24H30 A2B3C24D30 -102.15 4.58 -8.94 -0.19 0
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88798 49956870 1 BrFSN3O3H21C24 ABCD3E3F21G24 -99.02 7.44 -8.88 -1.33 0
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88799 49956874 2 NO2C13H14 AB2C13D14 -105.33 3.29 -9.03 -0.34 0
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88800 49956875 1 N3O3C23H29 A3B3C23D29 -91.89 3.68 -8.73 -0.27 0
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88801 49956876 1 N3O3C23H29 A3B3C23D29 -91.22 5.19 -8.74 -0.65 0
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88802 49956877 1 BrSO3N4C25H31 ABC3D4E25F31 -70.28 8.28 -8.44 -0.75 0
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88803 49956879 1 BrN2O3C21H25 AB2C3D21E25 -110.43 3.73 -9.19 -0.62 0
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88804 49956880 1 BrClN2O3C19H20 ABC2D3E19F20 -102.86 3.47 -9.27 -0.84 0
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88805 49956882 1 BrSO3N4C26H33 ABC3D4E26F33 -82.43 3.19 -8.71 -1.04 0
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88806 49956904 2 NO2C11H14 AB2C11D14 -146.51 4.15 -9.12 -0.3 0
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88807 49956936 1 Cl2N2O3C19H20 A2B2C3D19E20 -114.22 5.02 -9.22 -0.88 0
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88808 49956950 1 NO2C18H21 AB2C18D21 -61.03 5.4 -8.75 -0.09 0
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88809 49956953 1 NO2C19H21 AB2C19D21 -38.23 4.05 -8.8 -0.41 0
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88810 49956961 1 NO3C20H25 AB3C20D25 -105.08 4.55 -8.85 0.14 0
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88811 49956990 1 BrSO3N4C28H29 ABC3D4E28F29 -31.78 6.65 -8.85 -1.04 0
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88812 49956991 1 FN2O3H23C28 AB2C3D23E28 -76.84 4.41 -9.01 -0.54 0
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88813 49956992 1 BrSN3O3C25H30 ABC3D3E25F30 -90.26 5.85 -8.78 -1.26 0
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88814 49956993 1 FISN3O3H17C22 ABCD3E3F17G22 -64.55 8.07 -8.98 -1.29 0
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88815 49956995 1 BrSN3O3C26H32 ABC3D3E26F32 -95.32 5.19 -8.88 -0.98 0
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88816 49956996 1 SO2N3C19H29 AB2C3D19E29 -103.0 7.23 -8.93 -0.92 0
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88817 49957002 1 FSN3O4H24C29 ABC3D4E24F29 -93.55 9.78 -8.88 -0.85 0
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88818 49957007 1 BrN2O3C18H19 AB2C3D18E19 -93.54 4.01 -9.25 -0.5 0
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88819 49957008 1 N2O3C24H30 A2B3C24D30 -107.91 6.17 -9.02 -0.22 0
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88820 49957009 2 NO2C10H12 AB2C10D12 -129.44 1.31 -9.22 -0.47 0
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88821 49957010 1 FCl2N2O3H17C22 AB2C2D3E17F22 -117.15 5.62 -8.99 -0.91 0
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88822 49957011 1 N4O5C21H24 A4B5C21D24 -83.91 9.58 -8.87 -1.33 0
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88823 49957012 1 N3O3C27H29 A3B3C27D29 -53.8 1.99 -8.73 -0.33 0
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88824 49957023 1 N2O4C27H30 A2B4C27D30 -110.18 2.76 -8.96 -0.35 0
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88825 49957030 1 BrSN3O3C27H34 ABC3D3E27F34 -100.01 4.64 -8.74 -1.24 0
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88826 49957031 1 BrFSN3O3H21C24 ABCD3E3F21G24 -90.04 10.4 -8.96 -1.24 0
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88827 49957033 1 BrFSN3O3H23C25 ABCD3E3F23G25 -97.95 10.3 -8.82 -1.31 0
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88828 49957036 1 BrFSN3O3C27H27 ABCD3E3F27G27 -107.32 9.08 -8.83 -1.19 0
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88829 49957051 1 N3O5C22H25 A3B5C22D25 -90.22 8.61 -9.4 -1.16 0
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88830 49957062 1 FN2O3C26H27 AB2C3D26E27 -123.47 5.21 -8.98 -0.55 0
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88831 49957074 1 F2N4O4H26C31 A2B4C4D26E31 -176.28 5.31 -8.98 -0.77 0
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88832 49957079 1 N2O3C24H30 A2B3C24D30 -105.78 4.61 -9.03 -0.19 0
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88833 49957168 1 SN3O3C23H27 AB3C3D23E27 -86.98 10.46 -8.75 -0.97 0
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88834 49957172 1 SN3O3C23H27 AB3C3D23E27 -84.52 9.56 -8.79 -1.0 0
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88835 49957197 1 SO2N3C20H29 AB2C3D20E29 -94.72 10.5 -8.21 -0.57 0
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88836 49957209 1 SCl2N2O2H24C26 AB2C2D2E24F26 -29.97 7.21 -8.34 -0.95 0
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88837 49957211 1 BrSN3O3H26C27 ABC3D3E26F27 -44.76 4.31 -8.82 -1.28 0
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88838 49957219 1 BrSN3O3C25H30 ABC3D3E25F30 -80.87 2.69 -8.85 -0.99 0
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88839 49957220 1 N2O3C25H32 A2B3C25D32 -109.37 4.38 -8.89 -0.49 0
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88840 49957230 1 SN3O3C19H21 AB3C3D19E21 -83.38 6.69 -9.03 -1.1 0
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88841 49957234 1 Cl2N2O2H16C19 A2B2C2D16E19 25.68 7.3 -8.98 -1.08 0
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88842 49957240 1 SN3O4H25C26 AB3C4D25E26 -9.89 8.81 -8.86 -1.7 0
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88843 49957243 1 N3O3C22H25 A3B3C22D25 -56.48 5.8 -9.21 -0.2 0
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88844 49957244 1 NO3C22H23 AB3C22D23 -59.14 7.77 -8.38 -0.15 0
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88845 49957249 1 NO2C20H21 AB2C20D21 -15.57 1.83 -8.23 0.13 0
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88846 49957264 2 NOC10H10 ABC10D10 38.68 7.0 -8.65 -0.92 0
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88847 49957265 1 SN2O3C28H30 AB2C3D28E30 -56.92 8.91 -8.76 -0.23 0