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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167806 74880208 1 NO4C16H21 AB4C16D21 -154.0 6.65 -9.25 -1.03 0
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167807 74880260 1 NO3C14H17 AB3C14D17 -112.79 7.27 -9.71 -0.58 0
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167808 74880261 1 NO4C15H19 AB4C15D19 -148.75 5.21 -9.17 -0.74 0
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167809 74880947 1 O2N3C16H21 A2B3C16D21 -35.68 5.13 -8.57 -0.97 0
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167810 74881914 1 SH2N3F5C8 AB2C3D5E8 -114.04 3.92 -9.4 -1.95 0
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167811 74881915 1 N2O2F5H11C12 A2B2C5D11E12 -278.05 1.94 -9.54 -1.71 0
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167812 74881916 1 ON2F5H11C13 AB2C5D11E13 -235.43 4.82 -9.34 -1.51 0
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167813 74882480 1 N2O5C14H16 A2B5C14D16 -207.8 3.6 -9.41 -0.86 0
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167814 74882481 1 NO3C14H17 AB3C14D17 -112.13 2.75 -9.06 -0.7 0
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167815 74882482 1 N3O4H11C13 A3B4C11D13 -79.97 5.38 -9.54 -1.54 0
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167816 74882483 1 N2O5C14H22 A2B5C14D22 -249.94 8.32 -9.79 0.39 0
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167817 74882871 1 ON4C16H24 AB4C16D24 -4.01 4.06 -8.79 0.22 0
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167818 74883040 2 NOC8H11 ABC8D11 -50.87 11.86 -8.14 -0.57 0
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167819 74883139 2 NOSC5H6 ABCD5E6 -19.5 3.64 -8.96 -1.8 0
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167820 74883140 2 NOSC5H6 ABCD5E6 -19.74 4.56 -8.95 -1.63 0
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167821 74883141 2 NOSC7H9 ABCD7E9 -44.35 4.29 -8.98 -1.64 0
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167822 74883580 1 SO2N3C10H15 AB2C3D10E15 -81.77 8.5 -9.49 -0.41 0
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167823 74883666 1 ON3C13H17 AB3C13D17 -16.7 5.06 -9.2 -0.3 0
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167824 74883667 1 ON3C13H17 AB3C13D17 -18.05 4.82 -9.19 -0.54 0
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167825 74883668 1 ON2C11H20 AB2C11D20 -66.76 3.84 -9.15 1.15 0
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167826 74883669 1 O2N3C10H17 A2B3C10D17 -98.76 3.24 -9.14 0.54 0
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167827 74883670 1 N2O2C13H16 A2B2C13D16 -62.08 4.14 -9.2 -0.34 0
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167828 74883671 2 NOC7H9 ABC7D9 -70.3 5.48 -9.1 -0.29 0
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167829 74883672 1 ON4C12H16 AB4C12D16 -2.52 4.58 -9.14 -1.02 0
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167830 74883673 1 FON2C14H17 ABC2D14E17 -73.35 3.06 -9.11 -0.16 0
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167831 74883674 1 ON2C12H22 AB2C12D22 -75.55 3.88 -9.14 1.24 0
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167832 74883828 1 ON2C16H22 AB2C16D22 -49.19 4.16 -9.1 0.18 0
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167833 74883829 1 OCl2N2C13H14 AB2C2D13E14 -34.38 5.37 -9.11 -0.78 0
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167834 74883874 1 OSN2C11H14 ABC2D11E14 1.69 3.49 -9.36 -1.04 0
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167835 74883938 1 SO2N4C9H14 AB2C4D9E14 -34.38 4.48 -9.25 -1.4 0
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167836 74884053 1 N3O4C14H17 A3B4C14D17 -52.44 5.16 -9.47 -1.55 0
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167837 74884639 1 ClSN2O3C12H17 ABC2D3E12F17 -111.22 4.31 -9.22 -1.01 0
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167838 74885122 1 BrClSN2O2C14H18 ABCD2E2F14G18 -67.57 5.16 -9.49 -1.13 0
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167839 74885133 1 BrSN2O2C15H21 ABC2D2E15F21 -74.44 6.09 -8.7 -0.64 0
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167840 74885192 1 SO2N3C12H19 AB2C3D12E19 -66.91 7.56 -9.26 0.3 0
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167841 74885239 1 SN2O3C13H20 AB2C3D13E20 -112.54 3.91 -8.84 -0.3 0
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167842 74885240 1 SN3O3C13H21 AB3C3D13E21 -107.16 2.98 -8.78 -0.29 0
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167843 74885883 1 BrFSN2O3H8C11 ABCD2E3F8G11 -90.51 5.83 -9.92 -1.35 0
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167844 74886135 1 NO4C15H19 AB4C15D19 -150.25 7.59 -9.14 -0.98 0
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167845 74886436 1 N4O5C9H14 A4B5C9D14 -184.67 5.77 -9.57 -0.29 0
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167846 74886437 2 N2O2C4H7 A2B2C4D7 -148.31 4.17 -9.63 -0.54 0
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167847 74886438 1 N4O4C7H12 A4B4C7D12 -155.06 4.13 -9.89 -0.53 0
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167848 74886439 2 N2O2C5H5 A2B2C5D5 -109.89 7.82 -9.49 -0.78 0
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167849 74886440 2 N2O2C5H5 A2B2C5D5 -112.57 6.5 -9.46 -0.81 0
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167850 74886441 2 N2O2C3H5 A2B2C3D5 -142.14 3.04 -9.49 -0.42 0
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167851 74886442 4 NOC2H3 ABC2D3 -151.22 3.57 -9.75 -0.48 0
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167852 74886443 1 N4O4C9H14 A4B4C9D14 -150.27 4.03 -9.75 -0.51 0
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167853 74886444 1 O4N5C9H15 A4B5C9D15 -134.7 5.58 -9.76 -0.53 0
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167854 74886445 1 O4N5C10H17 A4B5C10D17 -138.4 3.61 -9.36 -0.36 0
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167855 74886446 1 ClN4O5C11H11 AB4C5D11E11 -167.31 7.59 -9.39 -1.04 0
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167856 74886678 1 ClOSN2C8H9 ABCD2E8F9 -18.22 3.57 -9.49 -0.67 0
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167857 74886679 1 ON4C8H12 AB4C8D12 -0.29 4.68 -9.49 0.29 0
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167858 74886680 1 N2O3C12H16 A2B3C12D16 -100.16 3.4 -9.21 -0.2 0
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167859 74886864 1 FON3C12H18 ABC3D12E18 -35.52 4.21 -8.33 -0.26 0
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167860 74886997 1 ClFN2O2H14C15 ABC2D2E14F15 -49.67 2.57 -9.0 -0.84 0
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167861 74886998 1 FN2O2C10H13 AB2C2D10E13 -70.9 3.46 -8.85 -0.37 0
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167862 74886999 1 FN2O2C11H15 AB2C2D11E15 -75.78 3.57 -8.86 -0.34 0
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167863 74887000 1 FN2O2C12H17 AB2C2D12E17 -79.87 2.63 -8.87 -0.34 0
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167864 74887317 1 NOH4F5C10 ABC4D5E10 -221.77 3.04 -10.22 -2.2 0
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167865 74887394 1 NOC15H19 ABC15D19 -10.81 4.12 -9.4 -1.31 0
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167866 74887395 1 NOC13H15 ABC13D15 -0.82 4.15 -9.45 -1.32 0
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167867 74887396 1 NOCl3H6C10 ABC3D6E10 -3.87 3.4 -9.99 -2.28 0
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167868 74887403 1 NO2F3H10C12 AB2C3D10E12 -173.78 5.18 -10.13 -2.21 0
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167869 74887772 1 OSN5C14H15 ABC5D14E15 29.47 5.06 -9.4 -1.35 0
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167870 74887852 1 N6C15H22 A6B15C22 83.76 4.53 -8.74 -0.18 0
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167871 74887920 1 ClON3C16H16 ABC3D16E16 13.97 6.32 -8.62 -0.46 0
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167872 74887950 1 ON3C16H23 AB3C16D23 -25.89 6.59 -8.42 0.13 0
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167873 74887951 1 BrO2N3C14H14 AB2C3D14E14 -0.88 4.94 -8.73 -0.79 0
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167874 74887952 1 ON3C14H21 AB3C14D21 -25.13 6.54 -8.44 0.12 0
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167875 74887953 1 O2N3C16H17 A2B3C16D17 -21.77 7.45 -8.43 -0.3 0
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167876 74888537 1 NOH7C8 ABC7D8 38.78 4.29 -9.12 -0.5 0
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167877 74889031 1 N2C9H12 A2B9C12 38.62 1.38 -9.19 -0.31 0
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167878 74889155 1 ClFO2N3C24H29 ABC2D3E24F29 -122.24 5.64 -8.98 -1.11 0
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167879 74889156 1 BrN2O2H7C8 AB2C2D7E8 -42.35 2.09 -9.26 -1.1 0
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167880 74889182 1 BN2O2C16H25 AB2C2D16E25 -141.68 5.58 -9.19 -0.46 0
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167881 74889191 1 BO3C9H13 AB3C9D13 -189.86 3.04 -9.7 -0.04 0
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167882 74889282 1 NC10H11 AB10C11 70.47 2.49 -9.79 -0.49 0
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167883 74889348 2 NC5H6 AB5C6 73.83 1.45 -8.47 -0.26 0
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167884 74889490 1 NF2O2H7C8 AB2C2D7E8 -141.27 4.33 -10.62 -1.44 0
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167885 74890483 1 BrFON2H6C7 ABCD2E6F7 -48.66 3.65 -10.22 -1.29 0
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167886 74890484 1 BBrFO4H7C8 ABCD4E7F8 -254.06 1.6 -10.21 -1.24 0
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167887 74890530 1 NBr2O2H7C10 AB2C2D7E10 -36.16 5.72 -9.0 -1.16 0
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167888 74890736 1 BFNO3C14H19 ABCD3E14F19 -215.82 6.49 -9.59 -0.59 0
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167889 74891321 1 BrNSC7H8 ABCD7E8 28.86 2.74 -8.52 -0.51 0
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167890 74891455 1 NF2H3C7 AB2C3D7 0.35 2.48 -10.13 -1.29 0
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167891 74891756 2 NC5H6 AB5C6 63.87 3.65 -9.57 -0.22 0
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167892 74891757 2 NC5H6 AB5C6 63.73 0.92 -9.78 -0.4 0
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167893 74891758 2 NC5H6 AB5C6 62.03 3.37 -9.44 -0.56 0
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167894 74891759 2 NC5H6 AB5C6 64.39 3.91 -9.62 -0.16 0
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167895 74891760 2 NC5H6 AB5C6 63.04 2.36 -9.59 -0.48 0
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167896 74891761 2 NC5H6 AB5C6 63.31 0.6 -9.47 -0.29 0
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167897 74891762 2 NC5H6 AB5C6 62.48 3.27 -9.48 -0.38 0
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167898 74891763 2 NC5H6 AB5C6 63.83 2.1 -9.55 -0.61 0
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167899 74891764 2 NC5H6 AB5C6 64.26 1.02 -9.7 -0.42 0
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167900 74891926 1 FSN3H6C8 ABC3D6E8 34.19 4.89 -9.15 -0.88 0
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167901 74892257 2 NC4H4 AB4C4 88.57 2.48 -9.65 -0.57 0
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167902 74892345 1 BFO3H10C12 ABC3D10E12 -184.18 3.9 -9.28 -0.53 0
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167903 74892739 1 NO3H7C8 AB3C7D8 -86.21 5.02 -9.52 -1.36 0
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167904 74893268 1 ON3H15C16 AB3C15D16 63.54 12.03 -9.15 -1.99 0
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167905 74893897 2 NO2C8H9 AB2C8D9 -122.4 2.46 -8.96 -1.16 1