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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412805 135085734 1 OCl2H8C9 AB2C8D9 -17.68 1.58 -9.19 -0.27 0
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412806 135085735 1 OC9H14 AB9C14 -22.75 4.79 -9.8 -0.34 0
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412807 135085736 1 LiOC8H13 ABC8D13 -78.85 5.38 -7.68 2.57 0
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412808 135085737 1 O2F3H3C8 A2B3C3D8 -165.94 2.87 -10.12 -1.53 0
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412809 135085738 1 ILiZnCl2C3H6 ABCD2E3F6 -109.22 3.34 -9.55 -2.57 0
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412810 135085739 1 O2C11H22 A2B11C22 -105.77 1.66 -10.07 1.75 0
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412811 135085740 1 NOSC12H17 ABCD12E17 -17.48 3.29 -8.23 0.07 0
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412812 135085741 1 NSO2C9H9 ABC2D9E9 -29.83 5.57 -9.2 -0.98 0
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412813 135085742 1 O4C13H22 A4B13C22 -214.57 1.58 -10.66 0.78 0
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412814 135085743 1 NO2C12H15 AB2C12D15 -54.38 3.87 -9.57 -0.27 0
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412815 135085744 1 OC14H24 AB14C24 -77.97 3.13 -9.4 0.24 0
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412816 135085745 1 NO2C13H17 AB2C13D17 -60.86 3.76 -9.58 -0.19 0
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412817 135085746 1 OCl2N2H8C9 AB2C2D8E9 -13.72 2.02 -9.32 -1.13 0
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412818 135085747 1 BrIOH8C12 ABCD8E12 23.03 1.74 -9.14 -1.08 0
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412819 135085748 1 BSN3C10H12 ABC3D10E12 100.44 3.32 -7.1 -0.11 0
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412820 135085749 1 BrO2H11C12 AB2C11D12 -24.07 1.92 -9.37 -0.28 0
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412821 135085750 1 SF3O3C10H15 AB3C3D10E15 -292.45 3.44 -9.52 -1.33 0
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412822 135085751 1 LiS3H5C7 AB3C5D7 49.15 7.34 -8.12 -0.7 0
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412823 135085752 1 OZnC9H12 ABC9D12 -9.59 3.4 -8.43 -1.17 0
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412824 135085753 1 BrSiC14H25 ABC14D25 -15.62 2.48 -9.5 -0.31 0
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412825 135085754 1 IZnC10H13 ABC10D13 14.34 1.29 -9.25 -0.81 0
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412826 135085755 1 IZnC7H13 ABC7D13 12.55 2.51 -9.35 -1.65 0
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412827 135085756 1 ClMgO2C9H9 ABC2D9E9 -67.4 4.22 -8.48 -0.42 0
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412828 135085757 1 NOC8H17 ABC8D17 -33.97 1.0 -9.23 1.13 0
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412829 135085758 1 ClOH13C15 ABC13D15 -9.69 4.43 -9.61 -0.58 0
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412830 135085759 1 NO2C12H19 AB2C12D19 -76.02 2.78 -10.97 -0.98 0
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412831 135085760 1 ClNS2O3H8C10 ABC2D3E8F10 -77.42 3.63 -9.56 -1.78 0
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412832 135085761 1 O4C13H20 A4B13C20 -174.3 4.35 -8.74 -0.02 0
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412833 135085762 1 BrOH9C10 ABC9D10 40.96 4.8 -8.94 -0.27 0
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412834 135085763 1 OS2H12C14 AB2C12D14 54.2 4.07 -8.7 -1.46 0
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412835 135085764 2 OC6H6 AB6C6 -10.85 1.26 -9.93 -0.68 0
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412836 135085765 1 CrO6H10C11 AB6C10D11 -218.8 2.8 -8.4 -0.4 0
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412837 135085766 1 CrOC6H10 ABC6D10 124.59 1.41 -6.89 0.89 0
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412838 135085767 1 O4C13H14 A4B13C14 -141.4 5.83 -9.18 -1.07 0
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412839 135085768 1 NSO2C12H17 ABC2D12E17 -60.38 4.6 -10.29 -0.61 0
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412840 135085769 1 FS2C12H15 AB2C12D15 -22.22 2.62 -8.62 -0.12 0
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412841 135085770 1 LiOH11C14 ABC11D14 44.11 6.94 -7.66 0.05 0
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412842 135085771 2 NOH5C6 ABC5D6 15.84 5.02 -10.38 -1.12 0
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412843 135085772 1 NBr2O4H5C9 AB2C4D5E9 -20.95 5.67 -9.66 -1.71 0
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412844 135085773 1 NOC12H17 ABC12D17 -22.26 4.14 -9.2 -0.63 0
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412845 135085774 1 F3C13H23 A3B13C23 -201.9 3.21 -10.89 0.1 0
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412846 135085775 1 NSSiO2C10H23 ABCD2E10F23 -128.77 4.16 -9.66 0.4 0
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412847 135085776 1 SN2O3C10H10 AB2C3D10E10 58.62 4.4 -9.44 -1.88 0
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412848 135085777 1 NOC8H15 ABC8D15 -28.18 0.75 -9.23 1.23 0
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412849 135085778 1 ClNC15H16 ABC15D16 31.61 1.59 -8.18 -0.19 0
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412850 135085779 1 BrClOC14H16 ABCD14E16 -10.0 2.42 -9.5 -0.37 0
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412851 135085780 1 BrO2C13H15 AB2C13D15 -25.12 1.16 -8.96 -0.26 0
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412852 135085781 1 NOCl2C9H9 ABC2D9E9 -15.69 2.1 -9.9 -1.09 0
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412854 135085783 1 F3H4C7 A3B4C7 -74.88 1.72 0.0 0.0 0
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412855 135085784 1 O3C14H20 A3B14C20 -129.03 4.09 -9.82 -0.3 0
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412856 135085785 1 FSBr2O2H7C9 ABC2D2E7F9 -71.53 3.52 -9.36 -1.82 0
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412857 135085786 1 ClS2C12H15 AB2C12D15 15.52 2.93 -8.64 -0.16 0
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412858 135085787 1 SiO2C9H20 AB2C9D20 -155.57 0.38 -8.45 1.15 0
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412859 135085788 1 OSiC12H22 ABC12D22 -53.12 1.94 -8.71 0.75 0
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412860 135085789 2 NOC6H7 ABC6D7 -25.87 1.4 -9.16 -0.58 1
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412861 135085790 1 N2O2C12H15 A2B2C12D15 -17.65 4.06 0.0 0.0 0
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412862 135085791 1 NO4C9H11 AB4C9D11 -93.01 1.8 -9.14 -0.37 0
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412863 135085792 1 FN2C12H13 AB2C12D13 25.44 5.77 -9.39 0.12 0
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412864 135085793 1 SeO2N3C9H9 AB2C3D9E9 27.06 0.99 -8.83 -1.12 0
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412865 135085794 1 NaSO4H9C10 ABC4D9E10 -175.57 11.17 -9.89 -0.88 0
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412866 135085795 1 SF3O3C8H11 AB3C3D8E11 -256.23 2.59 -10.33 -1.51 0
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412867 135085796 1 BrZnO2C11H15 ABC2D11E15 -11.7 1.32 -9.35 -1.71 0
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412868 135085797 1 SBr2O2H6C9 AB2C2D6E9 -18.03 2.7 -8.66 -0.77 0
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412869 135085798 1 ClZnC11H15 ABC11D15 64.79 4.82 -9.45 -0.68 0
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412870 135085799 1 OCl3C7H9 AB3C7D9 -58.51 4.45 -10.58 -1.06 0
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412871 135085800 1 IOC12H17 ABC12D17 -25.33 3.74 -9.5 -0.68 0
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412872 135085801 1 O3C12H16 A3B12C16 -109.77 2.42 -10.02 0.5 0
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412873 135085802 1 OC17H26 AB17C26 -32.78 3.25 -9.53 0.6 0
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412874 135085803 1 BrFO2C10H14 ABC2D10E14 -133.03 0.94 -9.9 -0.84 0
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412875 135085804 1 N3O4C6H11 A3B4C6D11 -117.91 1.9 -10.55 -0.5 0
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412876 135085805 1 BKO2F3C10H11 ABC2D3E10F11 -382.34 10.46 -8.15 0.09 0
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412877 135085811 1 BrNO3C8H12 ABC3D8E12 -73.38 1.93 -9.6 -0.88 0
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412878 135085812 1 NO2C11H11 AB2C11D11 -37.54 3.51 -9.68 -0.81 0
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412879 135085813 1 ON3C13H17 AB3C13D17 34.18 3.92 -8.97 -0.35 0
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412880 135085814 1 NaSO4H9C10 ABC4D9E10 -164.91 10.29 -9.85 -0.84 0