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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83840 49861686 1 ON3C25H49 AB3C25D49 -100.6 2.33 -8.44 2.26 0
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83841 49861689 1 ClO2N3C31H60 AB2C3D31E60 -198.45 6.04 -8.68 1.6 0
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83842 49861690 1 O2N3C31H59 A2B3C31D59 -151.51 0.92 -8.33 2.18 0
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83843 49861691 1 ClN3O3C27H54 AB3C3D27E54 -207.6 1.99 -8.31 1.49 0
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83845 49861728 1 BrFN2O3C21H36 ABC2D3E21F36 -223.35 7.07 -9.12 0.12 0
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83846 49861746 1 N4C27H52 A4B27C52 -58.97 2.32 -8.44 2.23 0
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83847 49861750 4 NC7H13 AB7C13 -57.78 1.92 -8.51 2.28 0
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83848 49861751 1 OCl2N4C27H56 AB2C4D27E56 -192.8 2.49 -8.42 1.74 0
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83849 49861773 1 ClN2O4C21H39 AB2C4D21E39 -245.21 5.89 -8.95 0.26 0
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83850 49861810 1 O3N4C27H46 A3B4C27D46 -198.07 7.99 -8.44 0.49 0
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83851 49861812 1 SO4N5C19H35 AB4C5D19E35 -127.91 6.77 -8.81 -0.25 0
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83852 49861816 1 O3N8C27H48 A3B8C27D48 -99.92 5.34 -8.63 0.02 0
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83853 49861843 1 Cl2N3C17H33 A2B3C17D33 -84.28 6.32 -8.56 1.93 0
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83854 49861856 1 FSN2O3C22H39 ABC2D3E22F39 -214.45 4.83 -8.75 0.81 0
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83855 49861857 1 FOSCl2N2C22H41 ABCD2E2F22G41 -211.06 4.29 -8.57 0.39 0
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83856 49861862 1 FNC12H22 ABC12D22 -87.19 1.72 -8.85 3.12 0
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83857 49861883 1 OCl2N3C18H35 AB2C3D18E35 -167.03 6.7 -8.89 0.43 0
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83858 49861909 1 ClN3C19H36 AB3C19D36 -75.27 5.35 -8.52 1.92 0
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83859 49861910 1 N3C19H35 A3B19C35 -34.78 1.18 -8.29 2.56 0
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83860 49861919 1 O2N3C27H47 A2B3C27D47 -117.48 3.55 -8.48 0.72 0
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83861 49861992 1 O5N6C16H30 A5B6C16D30 -154.41 3.76 -9.74 -0.93 0
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83862 49862007 1 SN3O7C30H39 AB3C7D30E39 -246.39 6.78 -8.7 -0.6 0
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83863 49862009 1 ClSO2F3N4H18C26 ABC2D3E4F18G26 -116.57 4.95 -9.14 -1.52 0
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83864 49862017 1 OF3N5H10C16 AB3C5D10E16 -89.97 7.6 -9.35 -1.55 0
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83865 49862026 1 N4O5C20H30 A4B5C20D30 -148.57 4.15 -8.61 -0.21 0
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83866 49862028 3 N2F3O4C9H9 A2B3C4D9E9 -916.66 17.32 -10.12 -1.41 0
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83867 49862030 1 OCl2N2H12C18 AB2C2D12E18 44.84 1.65 -9.22 -1.16 0
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83868 49862056 4 OC8H8 AB8C8 -29.69 2.47 -8.76 -0.25 0
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83869 49862065 1 N3O4C26H27 A3B4C26D27 -130.63 2.27 -8.51 -0.61 0
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83870 49862066 1 ClN3O5C24H30 AB3C5D24E30 -219.05 6.96 -8.58 -0.02 0
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83871 49862068 1 N4O5C25H32 A4B5C25D32 -144.51 4.77 -8.64 -0.11 0
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83872 49862073 2 NOC5H7 ABC5D7 -58.53 7.52 -9.67 -0.33 0
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83873 49862078 1 F2N2O3C28H38 A2B2C3D28E38 -229.97 8.3 -9.49 -0.21 0
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83874 49862081 1 N2O3H18C24 A2B3C18D24 -10.27 1.99 -8.58 -1.1 0
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83875 49862088 1 SN4C24H24 AB4C24D24 108.57 3.98 -8.3 -0.7 0
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83876 49862092 1 SF3O3N5H26C30 AB3C3D5E26F30 -148.37 3.0 -8.75 -1.47 0
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83877 49862120 1 Cl2F3N3O5H22C28 A2B3C3D5E22F28 -241.81 7.87 -10.02 -1.45 0
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83878 49862132 1 F2N6C13H14 A2B6C13D14 -10.95 4.26 -8.92 -1.05 0
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83879 49862156 1 OSN4H20C21 ABC4D20E21 77.84 2.29 -8.71 -0.72 0
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83880 49862160 1 SF2O2N3C27H31 AB2C2D3E27F31 -135.72 4.19 -9.12 -0.88 0
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83881 49862166 1 Cl2N2O2F3H17C20 A2B2C2D3E17F20 -167.47 4.6 -9.57 -0.74 0
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83882 49862177 1 ClN7H20C23 AB7C20D23 126.11 4.35 -8.3 -0.64 0
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83883 49862186 1 OF3N5C20H20 AB3C5D20E20 -87.83 12.4 -8.79 -1.43 0
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83884 49862194 1 ON4C22H26 AB4C22D26 51.51 2.23 -8.14 -0.35 0
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83885 49862196 1 F3N4C22H23 A3B4C22D23 -70.27 5.35 -8.56 -0.38 0
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83886 49862203 1 F2N2O3C28H36 A2B2C3D28E36 -220.19 1.66 -8.99 -0.53 0
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83888 49862230 2 O5C11H11 A5B11C11 -354.74 2.47 -8.85 -1.01 0
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83889 49862232 1 O2N4C17H20 A2B4C17D20 3.41 7.32 -9.13 -0.24 0
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83890 49862245 1 F2N2O3C29H36 A2B2C3D29E36 -222.6 5.79 -9.52 -0.51 0
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83891 49862247 1 Cl2F3N3O4H28C29 A2B3C3D4E28F29 -211.25 4.4 -8.85 -0.88 0
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83892 49862256 1 ON3H15C16 AB3C15D16 64.98 4.63 -8.98 -0.7 0
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83893 49862263 1 ON3C18H21 AB3C18D21 9.99 2.9 -8.54 -0.37 0
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83894 49862279 1 F2N3O3C19H19 A2B3C3D19E19 -152.22 4.16 -8.67 -1.24 0
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83895 49862283 1 O2N3C27H41 A2B3C27D41 -69.96 3.33 -8.63 0.07 0
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83896 49862284 1 ClN3O4C26H26 AB3C4D26E26 -82.32 5.12 -8.5 -0.79 0
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83897 49862285 1 ON5C21H25 AB5C21D25 36.07 3.52 -9.06 -0.42 0
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83898 49862290 1 SO2N4C19H22 AB2C4D19E22 1.86 2.45 -8.66 -0.67 0
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83899 49862291 1 F2N3O3C30H37 A2B3C3D30E37 -208.71 2.02 -8.54 -0.18 0
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83900 49862292 1 F2N3O3C29H37 A2B3C3D29E37 -228.93 4.97 -8.86 -0.32 0
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83901 49862304 1 ClSN3O3C20H26 ABC3D3E20F26 -112.43 5.7 -8.9 -0.7 0
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83902 49862311 1 ON5H23C25 AB5C23D25 92.54 6.34 -9.35 -1.36 0
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83903 49862331 1 ClO2N4C26H35 AB2C4D26E35 -36.66 8.1 -8.72 -0.49 0
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83904 49862332 1 O3N6C24H28 A3B6C24D28 -45.11 2.99 -9.02 -0.83 0
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83905 49862334 1 O3N6C30H32 A3B6C30D32 -21.78 3.06 -9.09 -0.76 0
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83906 49862336 1 SO2N4C20H24 AB2C4D20E24 -2.93 3.08 -8.8 -0.73 0
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83907 49862342 1 N3O3F5H6C16 A3B3C5D6E16 -175.91 4.34 -9.46 -2.55 0
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83908 49862369 1 OF3N3H12C15 AB3C3D12E15 -116.01 4.47 -10.11 -1.6 0
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83909 49862377 1 F2O2N6C37H56 A2B2C6D37E56 -176.57 7.42 -8.51 -0.15 0
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83910 49862388 1 FOSN3H10C14 ABCD3E10F14 28.55 2.75 -9.18 -1.57 0
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83911 49862389 1 F2N3O4H15C22 A2B3C4D15E22 -132.58 4.6 -8.92 -1.29 0
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83912 49862408 1 F2N3O3C29H39 A2B3C3D29E39 -213.26 5.74 -8.47 -0.34 0
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83913 49862415 1 OSN2H14C17 ABC2D14E17 62.42 4.17 -9.15 -0.57 0
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83914 49862443 1 ClSN2O2C26H33 ABC2D2E26F33 -39.58 1.51 -9.11 -0.35 0
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83915 49862456 1 ClSN2O2C18H21 ABC2D2E18F21 -38.21 3.74 -9.02 -0.9 0
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83916 49862465 1 SO2N5H11C16 AB2C5D11E16 79.61 6.91 -9.47 -1.74 0
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83917 49862482 1 FON2H11C15 ABC2D11E15 -14.01 4.72 -8.89 -1.44 0
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83918 49862530 1 O2N3H9C13 A2B3C9D13 52.28 3.89 -9.69 -1.28 0
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83919 49862544 1 FON2H13C16 ABC2D13E16 -19.04 2.94 -9.09 -1.44 0
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83920 49862559 1 O2N7C28H33 A2B7C28D33 16.33 5.14 -8.85 -0.57 0
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83921 49862565 1 O2N3C23H33 A2B3C23D33 -69.13 7.12 -8.18 -0.01 0
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83922 49862567 1 ClNO3C20H30 ABC3D20E30 -71.91 10.47 -8.22 -0.6 1
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83923 49862570 1 NO3C19H28 AB3C19D28 -26.08 3.29 0.0 0.0 0
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83924 49862573 1 ClNOC8H14 ABCD8E14 -53.58 11.06 -8.65 -0.4 0
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83925 49862584 1 FO2N5C26H32 AB2C5D26E32 -83.64 3.07 -9.17 -1.2 0
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83926 49862585 1 FO2N5C22H26 AB2C5D22E26 -71.03 7.98 -9.16 -1.14 0
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83927 49862586 1 FO2N5C26H32 AB2C5D26E32 -80.6 4.48 -9.03 -1.22 0
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83928 49862594 1 O3N4C24H36 A3B4C24D36 -95.56 2.46 -9.36 -0.64 0
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83929 49862596 1 ClOF2N2H7C14 ABC2D2E7F14 -59.3 5.08 -9.44 -1.65 0
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83930 49862611 1 O4N5C27H33 A4B5C27D33 -117.19 6.53 -9.09 -0.89 0
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83931 49862614 1 O4N5C29H33 A4B5C29D33 -94.05 9.82 -9.21 -0.63 0
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83932 49862628 1 ClFSN2O2C20H24 ABCD2E2F20G24 -93.31 4.8 -8.78 -0.98 0
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83933 49862630 1 FSN2O2C20H25 ABC2D2E20F25 -81.3 6.6 -8.83 -0.77 0
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83934 49862631 1 FN3H10C12 AB3C10D12 28.85 1.51 -9.25 -0.92 0
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83935 49862648 1 O3N4C23H32 A3B4C23D32 -81.89 2.24 -9.47 -0.73 0
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83936 49862650 1 ClSN3O3C18H24 ABC3D3E18F24 -85.1 4.79 -9.35 -0.35 0
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83937 49862655 1 N3O5H11C13 A3B5C11D13 -15.55 2.31 -8.78 -2.0 0
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83938 49862656 1 BrN3O4H8C12 AB3C4D8E12 28.3 1.49 -9.51 -2.13 0
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83939 49862659 1 N3O6H11C13 A3B6C11D13 -44.89 2.0 -8.74 -2.15 0
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83940 49862703 1 ON2H20C23 AB2C20D23 44.92 2.43 -8.58 -0.67 0
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83941 49862706 1 O3F4N5C26H29 A3B4C5D26E29 -258.55 7.01 -9.28 -1.73 0