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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5792 13795 1 SN2O6C19H22 AB2C6D19E22 -227.59 5.55 -9.49 -0.34 0
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5793 13797 1 N2O8C21H28 A2B8C21D28 -299.44 20.77 -9.94 -1.29 0
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5794 13799 2 NO4C11H14 AB4C11D14 -303.9 15.25 -9.92 -1.24 0
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5795 13804 1 P2N4O11C14H26 A2B4C11D14E26 -596.64 13.57 -9.32 -0.45 0
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5796 13805 1 P2N4O11C14H27 A2B4C11D14E27 -566.59 4.74 0.0 0.0 1
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5797 13806 1 ClN2O3C28H31 AB2C3D28E31 -92.99 9.6 -8.14 -1.28 0
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5798 13814 1 N3O3H25C33 A3B3C25D33 40.75 4.77 -9.38 -0.48 0
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5799 13817 2 SN3O3H14C17 AB3C3D14E17 -52.38 2.93 -8.78 -1.28 0
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5800 13838 1 NSi2C6H19 AB2C6D19 -103.89 0.46 -9.16 1.59 0
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5801 13841 1 NS2C6O6H15 AB2C6D6E15 -263.34 5.29 -9.14 0.02 0
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5802 13845 2 C6H13 A6B13 -62.67 0.07 -10.29 4.14 0
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5803 13847 1 O3C7H16 A3B7C16 -136.1 1.97 -9.83 1.49 0
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5804 13849 1 O2C15H30 A2B15C30 -165.32 2.15 -10.88 0.55 0
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5805 13850 1 OC16H30 AB16C30 -78.88 2.32 -9.1 0.67 0
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5806 13851 1 BrSH3C4 ABC3D4 38.68 1.18 -9.34 -0.49 0
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5807 13852 1 OSC4H6 ABC4D6 -47.96 4.41 -9.38 -0.05 0
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5808 13853 1 OC5H10 AB5C10 -29.13 2.56 -10.15 2.07 0
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5809 13854 1 NOC5H5 ABC5D5 -1.36 4.72 -9.46 -0.38 0
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5810 13855 1 OC6H12 AB6C12 -68.33 2.03 -9.48 2.48 0
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5811 13856 2 C4H7 A4B7 -17.83 0.54 -9.08 1.6 0
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5812 13857 1 NOC6H7 ABC6D7 14.88 4.97 -8.92 -0.6 0
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5813 13860 1 OC8H14 AB8C14 -56.35 1.93 -9.68 1.39 0
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5814 13861 1 OC8H16 AB8C16 -74.24 2.07 -9.52 2.44 0
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5815 13862 1 O2C7H8 A2B7C8 -69.12 6.0 -9.93 -0.09 0
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5816 13863 1 C4N5H7 A4B5C7 29.14 1.76 -8.96 0.42 0
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5817 13864 1 INaO2H4C7 ABC2D4E7 -83.59 7.91 -9.11 -0.56 0
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5818 13865 1 ClOSC8H11 ABCD8E11 -33.71 7.94 -8.39 -0.55 0
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5819 13866 1 OSC8H11 ABC8D11 -26.96 1.2 0.0 0.0 1
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5820 13867 1 NBr2C8H11 AB2C8D11 -5.98 5.23 -9.27 -0.63 0
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5821 13869 1 PO4C6H11 AB4C6D11 -244.03 8.9 -11.11 0.64 0
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5822 13870 1 Cl4H4C7 A4B4C7 -16.18 1.02 -9.55 -0.99 0
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5823 13871 1 Cl4H4C7 A4B4C7 -13.96 2.76 -9.54 -0.91 0
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5824 13872 1 NOC9H9 ABC9D9 1.76 3.07 -8.11 -0.05 0
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5825 13873 1 ClNSH6C8 ABCD6E8 29.21 2.75 -9.16 -0.9 0
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5826 13875 1 ClS2N3C6H12 AB2C3D6E12 17.31 3.36 -8.82 -1.6 0
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5827 13876 1 S2N3C6H12 A2B3C6D12 11.55 4.62 0.0 0.0 1
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5828 13877 1 C11H16 A11B16 -7.73 0.74 -9.17 0.5 0
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5829 13878 1 ClC5N5H8 AB5C5D8 35.42 4.7 -9.56 -0.28 0
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5830 13879 1 OC10H12 AB10C12 -29.82 2.96 -9.46 0.15 0
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5831 13880 1 ON2C8H10 AB2C8D10 -20.29 3.67 -8.78 0.21 0
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5832 13881 1 NO2C8H9 AB2C8D9 -62.21 1.78 -10.03 -0.32 0
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5833 13883 2 NOH3C4 ABC3D4 -2.8 5.8 -9.46 -1.01 0
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5834 13885 2 C6H11 A6B11 -52.53 0.01 -10.2 3.95 0
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5835 13886 1 NH9C11 AB9C11 57.08 2.46 -9.38 -0.45 0
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5836 13888 2 OC5H5 AB5C5 -58.69 0.06 -10.24 -1.2 0
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5837 13889 3 NC3H5 AB3C5 12.43 0.4 -10.26 -0.39 0
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5838 13890 1 O2C11H14 A2B11C14 -84.08 5.05 -9.9 -0.15 0
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5839 13891 1 ClO2H5C10 AB2C5D10 -27.05 2.76 -10.56 -2.06 0
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5840 13892 1 OC12H18 AB12C18 -63.05 3.56 -9.49 0.42 0
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5841 13893 1 NO2C10H13 AB2C10D13 -72.03 5.06 -9.78 -0.13 0
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5842 13894 1 SN5C7H13 AB5C7D13 30.58 4.64 -9.12 0.0 0
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5843 13895 2 C7H11 A7B11 -23.86 0.02 -8.91 0.66 0
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5844 13898 1 OSH8C12 ABC8D12 32.86 4.62 -8.45 -0.86 0
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5845 13899 1 Cl2N2C11H14 A2B2C11D14 -23.12 4.63 -8.75 -0.48 0
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5846 13900 1 ClN2C11H13 AB2C11D13 16.34 1.67 -8.51 -0.31 0
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5847 13901 1 NO2C11H15 AB2C11D15 -77.88 2.64 -8.82 0.14 0
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5848 13902 2 C7H11 A7B11 -23.11 0.19 -8.9 0.6 0
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5849 13903 1 NaO3C11H13 AB3C11D13 -172.75 6.38 -8.46 0.46 0
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5850 13904 1 SN5C8H15 AB5C8D15 28.69 2.44 -8.75 0.03 0
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5851 13905 1 SN5C8H15 AB5C8D15 29.54 3.68 -8.75 0.01 0
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5852 13906 1 ON2C11H16 AB2C11D16 -35.37 4.26 -8.66 0.28 0
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5853 13907 2 NOH4C5 ABC4D5 -17.27 5.44 -10.14 -0.75 0
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5854 13908 1 SO2H8C12 AB2C8D12 -20.18 6.14 -9.61 -1.17 0
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5855 13909 1 N3O4C8H11 A3B4C8D11 -69.32 6.82 -10.21 -1.31 0
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5856 13913 1 ON2C12H14 AB2C12D14 44.63 2.13 -9.02 -0.64 0
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5857 13915 4 NH2C3 AB2C3 150.72 6.59 -11.17 -0.38 0
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5858 13916 2 ClNOH3C5 ABCD3E5 28.46 4.67 -9.47 -1.1 0
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5859 13917 1 NO2C13H19 AB2C13D19 -90.77 1.76 -8.79 0.33 0
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5860 13918 1 ClNOH10C13 ABCD10E13 -0.36 2.39 -9.02 -0.62 0
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5861 13919 1 SN5C10H15 AB5C10D15 77.37 2.09 -8.81 -0.04 0
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5863 13924 1 NOH11C15 ABC11D15 103.07 0.7 -9.14 -0.45 0
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5864 13928 1 BrClON2C13H14 ABCD2E13F14 -25.46 6.21 -9.04 -0.54 0
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5865 13929 1 BrON2C13H13 ABC2D13E13 12.4 2.85 -8.91 -0.34 0
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5866 13930 1 OH5Cl7C10 AB5C7D10 8.64 4.04 -10.04 -0.96 0
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5867 13931 3 NOC4H5 ABC4D5 -78.92 0.5 -10.59 -0.8 0
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5868 13932 1 ClON2C15H25 ABC2D15E25 -94.95 4.05 -8.74 0.28 0
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5869 13934 1 NO3C15H24 AB3C15D24 -83.06 1.95 0.0 0.0 1
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5870 13935 1 N2O3C14H22 A2B3C14D22 -167.91 3.36 -10.54 -0.53 0
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5871 13936 1 NNaCl2O2C14H18 ABC2D2E14F18 -159.59 5.38 -8.92 -0.24 0
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5872 13937 1 NO4C14H21 AB4C14D21 -143.79 4.26 -8.68 0.16 0
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5873 13938 2 NSO2C6H10 ABC2D6E10 -171.93 1.68 -8.7 -0.55 0
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5874 13939 1 OSN2C5H12 ABC2D5E12 -51.82 3.06 -9.11 0.37 0
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5875 13940 1 SO4Cl6H6C9 AB4C6D6E9 -168.96 2.51 -10.27 -1.2 0
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5876 13941 1 BrNO3C16H26 ABC3D16E26 -127.36 9.43 -8.11 -0.14 0
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5877 13942 1 NO3C16H26 AB3C16D26 -90.27 2.92 0.0 0.0 1
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5878 13945 1 PN3O7C9H14 AB3C7D9E14 -350.17 5.68 -9.41 -0.17 0
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5879 13946 1 OH2C10Cl10 AB2C10D10 -41.45 1.97 -10.83 -0.68 0
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5880 13949 1 O5N6C10H10 A5B6C10D10 10.71 5.86 -9.68 -1.8 0
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5881 13951 2 OC10H15 AB10C15 -90.08 2.17 -10.13 1.35 0
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5882 13953 1 SN2O3C16H24 AB2C3D16E24 -138.97 6.42 -9.86 -0.74 0
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5883 13954 1 N2O3C17H20 A2B3C17D20 -116.99 2.03 -9.76 -0.46 0
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5884 13955 1 BrFH14C20 ABC14D20 39.57 2.04 -9.49 -0.57 0
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5885 13956 1 PC21H21 AB21C21 38.58 2.33 -8.37 0.36 0
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5886 13957 2 OC10H14 AB10C14 -108.06 5.55 -9.56 0.06 0
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5887 13958 1 ClNO6C15H20 ABC6D15E20 -255.43 8.46 -8.68 -1.56 0
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5888 13959 1 NO6C15H19 AB6C15D19 -208.74 6.14 -8.6 -1.36 0
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5889 13960 1 NNaI3O4C14H15 ABC3D4E14F15 -188.39 5.99 -8.4 -1.14 0
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5890 13961 1 NI3O4C14H16 AB3C4D14E16 -114.5 7.31 -8.58 -1.55 0
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5891 13962 2 NaSH3C5O5 ABC3D5E5 -534.85 3.86 -9.1 -1.28 0
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5892 13963 2 SH4C5O5 AB4C5D5 -368.26 7.4 -9.6 -1.8 0