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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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