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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183790 77070228 1 INO2C16H16 ABC2D16E16 16.74 2.44 -9.01 -0.94 0
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183791 77070229 1 INO2H14C15 ABC2D14E15 19.66 2.9 -8.76 -0.98 0
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183792 77070230 1 ION3C12H18 ABC3D12E18 30.01 2.44 -8.94 -0.67 0
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183793 77070231 1 IO2N3C13H20 AB2C3D13E20 -5.75 2.55 -9.09 -0.76 0
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183794 77070232 1 ION4C13H19 ABC4D13E19 44.11 2.5 -8.9 -0.79 0
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183795 77070233 1 INO3C16H16 ABC3D16E16 -17.62 3.03 -8.58 -0.81 0
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183796 77070290 1 FON3C11H16 ABC3D11E16 -67.83 4.25 -9.4 -0.63 0
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183797 77070840 1 FOSN2C12H15 ABCD2E12F15 -15.63 3.15 -8.72 -0.52 0
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183798 77070906 1 OF2N3C12H15 AB2C3D12E15 -57.72 0.82 -8.68 -0.18 0
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183799 77071953 1 NO3C15H17 AB3C15D17 -80.54 3.01 -10.01 -1.22 0
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183800 77071954 1 O2N3C10H19 A2B3C10D19 -50.68 3.47 -9.23 0.58 0
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183801 77071955 1 O2N3C11H21 A2B3C11D21 -57.11 3.07 -9.3 0.44 0
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183802 77071989 1 N3O3C15H25 A3B3C15D25 -70.31 2.85 -9.4 0.31 0
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183803 77071990 1 O2N3C15H27 A2B3C15D27 -38.9 4.25 -9.19 0.54 0
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183804 77071991 1 SN2O6C8H12 AB2C6D8E12 -229.01 3.41 -10.92 -0.82 0
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183805 77072269 1 BrO2N4C10H11 AB2C4D10E11 -53.16 6.28 -9.11 -1.15 0
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183806 77072448 1 O2N4C13H24 A2B4C13D24 -86.47 5.85 -9.38 0.08 0
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183807 77072544 2 ON2C6H9 AB2C6D9 -32.06 3.26 -9.15 -0.52 0
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183808 77072650 1 N3O5C11H17 A3B5C11D17 -231.04 6.27 -9.99 -0.06 0
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183809 77072651 1 Cl2N4C15H16 A2B4C15D16 55.07 2.29 -8.79 -0.67 0
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183810 77073082 1 NO3C17H21 AB3C17D21 -114.21 5.71 -9.46 -0.87 0
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183811 77073083 1 N2O4C13H14 A2B4C13D14 -140.38 6.07 -9.96 -0.81 0
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183812 77073326 1 ON3F4C12H15 AB3C4D12E15 -191.61 2.07 -9.22 -0.6 0
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183813 77073380 1 NSO2F3C12H14 ABC2D3E12F14 -212.35 5.41 -9.47 -1.26 1
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183814 77073498 1 BrN2O3C14H14 AB2C3D14E14 -81.81 2.72 0.0 0.0 0
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183815 77073534 1 BrO2N3C13H18 AB2C3D13E18 -34.57 2.46 -9.07 -0.48 0
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183816 77073535 1 BrN3C8H10 AB3C8D10 47.37 0.67 -8.64 -0.4 0
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183817 77073536 1 BrO2N3C14H20 AB2C3D14E20 -44.37 4.29 -9.23 -0.31 0
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183818 77073830 1 N2O2C13H18 A2B2C13D18 -66.78 5.28 -9.43 -0.09 0
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183819 77074054 1 NO3C12H21 AB3C12D21 -139.54 4.93 -9.19 -0.35 0
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183820 77074055 1 N2O2C13H26 A2B2C13D26 -87.7 2.42 -8.71 -0.05 0
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183821 77074056 2 NOC6H12 ABC6D12 -86.93 5.66 -8.87 -0.2 0
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183822 77074220 1 ClNO2C14H18 ABC2D14E18 -68.16 7.36 -9.15 -0.27 0
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183823 77074721 1 N2O2C13H24 A2B2C13D24 -87.98 2.35 -8.34 -0.06 0
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183824 77074722 2 NOC6H11 ABC6D11 -86.99 5.71 -8.51 -0.29 0
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183825 77074723 1 NO2C18H21 AB2C18D21 -40.14 3.01 -8.55 -0.39 0
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183826 77074724 1 NO2C17H19 AB2C17D19 -40.3 5.3 -8.58 -0.5 0
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183827 77074725 1 N2O3C16H22 A2B3C16D22 -86.12 6.68 -8.82 0.01 0
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183828 77074910 1 SO2C6H10 AB2C6D10 -82.09 5.84 -9.0 -0.4 0
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183829 77075701 1 O4N5C10H13 A4B5C10D13 -69.3 4.47 -9.51 -1.03 0
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183830 77075702 1 OSN3C12H13 ABC3D12E13 17.82 6.77 -9.24 -1.04 0
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183831 77075752 2 O2C7H9 A2B7C9 -138.01 4.79 -8.38 -0.28 0
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183832 77075826 1 ClN2O2C9H11 AB2C2D9E11 -50.04 2.89 -9.39 -0.58 0
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183833 77076164 1 N2O2C9H12 A2B2C9D12 -42.17 3.7 -9.42 -0.44 0
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183834 77076694 1 ON6C11H18 AB6C11D18 15.65 8.65 -9.49 -1.05 0
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183835 77077057 1 ON6C9H14 AB6C9D14 25.21 7.6 -9.52 -0.89 0
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183836 77077163 1 ON6C13H20 AB6C13D20 6.35 4.46 -9.36 0.09 0
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183837 77077164 1 ON8C12H20 AB8C12D20 19.72 1.55 -9.01 0.44 0
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183838 77077565 1 SO3N4C12H20 AB3C4D12E20 -78.55 2.55 -9.18 -0.39 0
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183840 77078029 1 FSN3O5C25H26 ABC3D5E25F26 -225.97 4.69 -8.8 -0.58 0