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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41853 8147332 1 ClN2O2H9C14 AB2C2D9E14 82.06 7.38 -9.03 -1.61 1
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41854 8147337 1 SO2N3H18C19 AB2C3D18E19 38.5 9.34 0.0 0.0 1
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41855 8147339 1 OSN3C19H20 ABC3D19E20 64.34 7.62 0.0 0.0 1
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41856 8147341 1 NO4C22H32 AB4C22D32 -105.02 6.6 0.0 0.0 0
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41857 8147344 1 OSN3C19H19 ABC3D19E19 47.49 6.29 -9.18 -0.59 1
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41859 8147350 1 NO4C20H33 AB4C20D33 -174.99 6.17 -8.7 -0.5 0
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41860 8147360 1 NO4C20H33 AB4C20D33 -178.12 0.75 -8.84 -0.62 2
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41861 8147361 1 N2O4C17H28 A2B4C17D28 -126.49 4.21 -8.77 -0.55 1
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41862 8147369 1 OS2N3H22C23 AB2C3D22E23 80.63 7.52 0.0 0.0 1
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41863 8147375 1 NO4C19H32 AB4C19D32 -160.43 3.02 0.0 0.0 0
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41864 8147378 1 S2N3O3C20H21 A2B3C3D20E21 -56.38 5.7 -9.07 -1.35 1
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41865 8147412 1 O2N4C20H23 A2B4C20D23 -2.46 6.67 0.0 0.0 0
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41866 8147413 2 ON2C10H11 AB2C10D11 -18.05 5.12 -9.25 -0.65 0
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41867 8147453 1 SO2N4C23H26 AB2C4D23E26 -16.79 4.6 -8.56 -0.9 -1
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41868 8147465 1 ClNO4H13C22 ABC4D13E22 -9.38 13.96 0.0 0.0 0
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41869 8147473 1 O3N4C24H24 A3B4C24D24 -14.3 10.46 -8.67 -0.98 0
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41870 8147502 1 SO2F3N3C18H20 AB2C3D3E18F20 -200.86 2.91 -9.43 -0.79 0
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41871 8147541 1 OSN6C19H24 ABC6D19E24 36.14 9.16 -8.61 -0.51 0
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41872 8147545 1 ClOS2N3H16C20 ABC2D3E16F20 54.51 5.76 -9.29 -0.88 1
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41873 8147550 1 O3N5C20H26 A3B5C20D26 -81.6 11.63 0.0 0.0 0
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41874 8147555 1 ON6C14H22 AB6C14D22 2.43 7.52 -8.94 -0.66 1
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41875 8147592 1 ON3C24H32 AB3C24D32 -5.62 8.02 0.0 0.0 0
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41876 8147596 1 SN2O5C19H24 AB2C5D19E24 -224.92 5.35 -9.01 -0.75 1
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41877 8147599 1 ON3C24H32 AB3C24D32 2.38 14.21 0.0 0.0 0
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41878 8147600 1 ON3C24H31 AB3C24D31 -16.63 6.47 -9.14 -0.55 1
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41879 8147617 1 O3N4C21H21 A3B4C21D21 -23.49 7.73 0.0 0.0 0
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41880 8147618 1 O3N4H20C21 A3B4C20D21 -34.35 10.6 -9.2 -1.64 0
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41881 8147631 1 O3N4C20H22 A3B4C20D22 -74.05 10.16 -8.94 -0.58 1
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41882 8147632 1 O3N4C20H23 A3B4C20D23 -54.83 6.58 0.0 0.0 2
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41883 8147636 1 N4O4C23H30 A4B4C23D30 -106.33 4.75 -8.28 -0.51 0
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41884 8147639 1 SO2N5C21H21 AB2C5D21E21 38.81 9.75 -9.17 -0.8 0
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41885 8147641 1 OSN6C21H22 ABC6D21E22 70.42 8.65 -8.68 -0.67 1
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41886 8147644 1 OSN6C18H23 ABC6D18E23 84.08 8.48 0.0 0.0 0
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41887 8147645 1 OSN6C18H22 ABC6D18E22 61.72 8.51 -8.65 -0.5 2
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41888 8147646 2 ON2C11H14 AB2C11D14 -15.19 8.61 -7.14 -0.52 0
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41889 8147663 1 SN3O3C19H19 AB3C3D19E19 -78.77 5.22 -8.87 -0.57 0
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41890 8147665 1 O2S2N5H17C18 A2B2C5D17E18 48.97 5.73 -9.05 -1.5 1
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41891 8147666 1 ON3C19H22 AB3C19D22 29.24 7.86 0.0 0.0 1
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41892 8147671 1 ON3C19H22 AB3C19D22 30.46 8.02 0.0 0.0 0
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41893 8147672 1 ON3C19H21 AB3C19D21 12.83 7.04 -9.16 -0.56 1
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41894 8147673 1 OSN5C23H26 ABC5D23E26 60.78 7.98 0.0 0.0 0
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41895 8147674 1 OSN5C23H25 ABC5D23E25 44.28 9.7 -8.36 -0.57 1
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41896 8147675 1 OSN3C21H26 ABC3D21E26 2.85 7.36 0.0 0.0 1
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41897 8147684 1 OSN3C23H24 ABC3D23E24 49.35 8.65 0.0 0.0 0
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41898 8147687 1 SO2N5C21H21 AB2C5D21E21 32.51 3.53 -9.04 -1.02 0
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41899 8147703 1 NO2C15H17 AB2C15D17 -81.74 2.49 -8.75 -0.06 1
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41900 8147706 1 O4N5C20H24 A4B5C20D24 -110.08 9.63 0.0 0.0 1
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41901 8147713 1 ClON3C19H21 ABC3D19E21 18.43 8.48 0.0 0.0 0
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41902 8147715 1 BrNO2S2H8C13 ABC2D2E8F13 26.74 5.28 -9.77 -1.76 0
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41903 8147719 1 OSN6C22H24 ABC6D22E24 66.63 7.41 -8.64 -0.52 0
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41904 8147725 1 N3O4C24H25 A3B4C24D25 -111.43 10.65 -8.91 -1.2 1
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41905 8147777 1 ON3C20H24 AB3C20D24 25.82 11.91 0.0 0.0 0
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41906 8147780 1 SF2N3O3C18H23 AB2C3D3E18F23 -183.38 7.85 -9.1 -0.55 1
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41907 8147795 1 SN3O3C20H24 AB3C3D20E24 -78.23 18.84 0.0 0.0 0
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41908 8147799 1 SO2N3C21H21 AB2C3D21E21 3.7 4.12 -8.56 -1.1 1
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41909 8147802 1 SO2N3C21H22 AB2C3D21E22 20.94 8.87 0.0 0.0 -1
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41910 8147804 1 NO5H16C19 AB5C16D19 -67.18 3.26 0.0 0.0 0
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41911 8147805 1 NO5H17C19 AB5C17D19 -114.43 3.53 -8.73 -1.1 0
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41912 8147811 1 O2N3C21H21 A2B3C21D21 8.4 8.33 -9.01 -0.94 0
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41913 8147813 1 NCl2O3H11C17 AB2C3D11E17 -49.22 6.45 -9.57 -1.5 1
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41914 8147818 1 FOSN3C23H23 ABCD3E23F23 4.53 5.55 0.0 0.0 0
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41915 8147823 1 FOSN3C20H22 ABCD3E20F22 -43.98 3.68 -8.59 -0.94 1
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41916 8147826 1 FOSN3C20H23 ABCD3E20F23 -26.94 5.06 0.0 0.0 0
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41917 8147829 1 NSO3H13C16 ABC3D13E16 -45.28 4.99 -9.33 -1.29 0
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41918 8147835 1 ClFON3C19H19 ABCD3E19F19 -44.82 6.76 -9.51 -0.93 -1
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41919 8147836 1 NO3H14C21 AB3C14D21 -2.88 1.01 0.0 0.0 0
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41920 8147837 1 NO3H15C21 AB3C15D21 -22.43 5.18 -9.05 -1.25 0
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41921 8147839 1 FN3O3C21H24 AB3C3D21E24 -108.97 5.67 -8.46 -0.52 -1
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41922 8147840 1 NO4H16C19 AB4C16D19 -67.58 3.93 0.0 0.0 0
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41923 8147841 1 NO4H17C19 AB4C17D19 -87.0 5.64 -8.7 -1.38 1
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41924 8147842 1 FN3O3C21H25 AB3C3D21E25 -94.84 4.89 0.0 0.0 0
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41925 8147843 1 FN3O3C21H24 AB3C3D21E24 -110.02 8.25 -8.47 -0.52 -1
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41926 8147844 1 NO4H18C23 AB4C18D23 -46.87 3.21 0.0 0.0 0
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41927 8147845 1 NO4H19C23 AB4C19D23 -71.17 4.72 -8.58 -0.86 1
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41928 8147846 1 FOSN3C23H23 ABCD3E23F23 -1.73 7.75 0.0 0.0 0
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41929 8147847 1 FOSN3H22C23 ABCD3E22F23 -16.03 1.74 -9.14 -1.31 1
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41930 8147858 1 FSN3O3C20H23 ABC3D3E20F23 -122.49 9.47 0.0 0.0 0
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41931 8147859 1 FSN3O3C20H22 ABC3D3E20F22 -136.73 4.64 -9.1 -1.39 0
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41932 8147861 2 NO3C11H11 AB3C11D11 -165.04 4.18 -8.54 -0.98 0
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41933 8147865 1 NO5H21C22 AB5C21D22 -133.29 7.85 -8.28 -1.09 1
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41934 8147866 1 FSO2N3C21H21 ABC2D3E21F21 -29.99 8.6 0.0 0.0 0
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41935 8147867 1 FSO2N3H20C21 ABC2D3E20F21 -41.89 2.84 -8.62 -1.09 -1
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41936 8147868 1 NO5H20C22 AB5C20D22 -112.04 4.63 0.0 0.0 0
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41937 8147869 1 NO5H21C22 AB5C21D22 -134.06 5.72 -8.66 -0.93 0
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41938 8147871 1 FO2N3H20C21 AB2C3D20E21 -35.68 6.78 -9.04 -0.96 0
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41939 8147875 1 FO2N3H20C21 AB2C3D20E21 -40.69 8.73 -9.07 -1.0 0
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41940 8147876 1 SO2N3H15C19 AB2C3D15E19 21.73 6.43 -9.08 -1.73 -1
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41941 8147877 1 NO5H20C21 AB5C20D21 -110.19 2.38 0.0 0.0 0
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41942 8147878 1 NO5C21H21 AB5C21D21 -131.34 4.87 -8.59 -0.83 0
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41943 8147879 1 SO3N4H14C19 AB3C4D14E19 52.13 6.67 -9.04 -1.91 0
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41944 8147886 1 N2O5H16C17 A2B5C16D17 -67.24 6.77 -8.98 -1.88 0
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41945 8147890 1 SN2O4H14C15 AB2C4D14E15 -33.88 6.51 -9.24 -1.98 0
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41946 8147894 1 BrFN2O4H12C16 ABC2D4E12F16 -68.5 2.21 -9.74 -2.17 0
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41947 8147897 1 OSN3H19C22 ABC3D19E22 59.11 4.37 -8.81 -1.57 0
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41948 8147901 1 OSN3H21C22 ABC3D21E22 36.0 4.47 -8.78 -1.48 1
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41949 8147903 1 O3N4C23H23 A3B4C23D23 -10.68 9.02 0.0 0.0 0
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41950 8147907 1 N2O5C18H18 A2B5C18D18 -143.75 4.58 -8.82 -0.7 0
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41951 8147908 1 OSN3H17C20 ABC3D17E20 45.68 4.3 -8.8 -1.49 1
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41952 8147909 1 OSN4C21H21 ABC4D21E21 61.57 8.51 0.0 0.0 0
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41953 8147911 1 SO2N3H19C24 AB2C3D19E24 32.38 5.32 -8.67 -1.3 1