List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
295000 117511327 1 BrNO3C14H20 ABC3D14E20 -101.21 3.25 -8.52 -0.23 0
295001 117511328 1 BrNO3C14H20 ABC3D14E20 -108.71 5.56 -8.83 -0.42 0
295002 117511336 1 BrNO3C14H20 ABC3D14E20 -94.61 4.15 -8.64 -0.28 0
295003 117511340 1 BrNO3C14H20 ABC3D14E20 -110.7 5.07 -8.75 -0.13 0
295004 117511342 1 BrNO3C14H20 ABC3D14E20 -81.81 3.34 -8.64 -0.23 0
295005 117511399 1 O3F6H12C13 A3B6C12D13 -439.31 2.68 -10.36 -0.9 0
295006 117511437 1 BrNO2C15H24 ABC2D15E24 -85.75 1.86 -8.97 -0.25 0
295007 117511448 1 F3O4C16H17 A3B4C16D17 -309.34 9.04 -9.45 -0.9 0
295008 117511453 1 N2O5C17H18 A2B5C17D18 -149.93 4.92 -8.2 -0.66 0
295009 117511479 2 NO2C9H11 AB2C9D11 -155.99 3.36 -9.4 -0.44 0
295010 117511486 2 NO2C9H11 AB2C9D11 -154.97 2.99 -9.16 -0.51 0
295011 117511599 1 BrFN2O3C12H12 ABC2D3E12F12 -147.59 6.13 -9.59 -0.88 0
295012 117511625 1 BrO5C13H15 AB5C13D15 -173.14 3.4 -9.4 -0.64 0
295013 117511672 1 BrO5C13H15 AB5C13D15 -173.88 5.57 -9.39 -1.11 0
295014 117511680 1 BrO5C13H15 AB5C13D15 -161.42 4.79 -8.96 -0.66 0
295015 117511777 1 BrO4C14H19 AB4C14D19 -157.94 2.45 -9.26 -0.38 0
295016 117511830 1 BrO4C14H19 AB4C14D19 -165.16 2.65 -9.64 -0.63 0
295017 117511838 1 BrN2O3C13H19 AB2C3D13E19 -48.44 3.97 -8.85 -0.29 0
295018 117511879 1 NF3O4C15H16 AB3C4D15E16 -300.37 10.21 -9.35 -0.79 0
295019 117511893 1 N3O4C17H21 A3B4C17D21 -98.6 4.02 -8.38 -0.86 0
295020 117511910 1 FNSO4C15H22 ABCD4E15F22 -201.02 4.99 -9.44 -0.79 0
295021 117511919 1 NO4C19H25 AB4C19D25 -182.18 6.12 -8.71 -0.15 0
295022 117511937 1 FNO2S2C15H22 ABC2D2E15F22 -128.24 2.55 -8.95 -0.91 0
295023 117512014 1 BrFN3O3C11H11 ABC3D3E11F11 -68.88 5.15 -8.85 -1.09 0
295024 117512049 1 BrNO5C12H14 ABC5D12E14 -172.15 6.82 -9.21 -0.96 0
295025 117512056 1 BrFNO3C13H15 ABCD3E13F15 -131.44 3.1 -9.81 -0.82 0
295026 117512086 1 BrNO4C13H18 ABC4D13E18 -155.82 5.98 -9.13 -0.66 0
295027 117512098 1 BrNO4C13H18 ABC4D13E18 -151.54 6.21 -9.15 -0.56 0
295028 117512158 1 BrNSO3C12H14 ABCD3E12F14 -70.47 7.02 -9.09 -0.43 0
295029 117512208 1 BrFNO2C14H19 ABCD2E14F19 -108.02 3.46 -9.01 -0.59 0
295030 117512268 1 F3O4C16H19 A3B4C16D19 -308.59 7.2 -8.84 -0.45 0
295031 117512275 1 BrNS2C13H18 ABC2D13E18 19.37 0.97 -8.7 -0.75 0
295032 117512276 1 BrNS2C13H18 ABC2D13E18 20.66 2.41 -8.3 -0.52 0
295033 117512279 1 BrNS2C13H18 ABC2D13E18 34.33 2.93 -8.43 -0.58 0
295034 117512319 1 O5C19H24 A5B19C24 -211.29 4.98 -8.35 -0.17 0
295035 117512453 1 BrFO4C13H14 ABC4D13E14 -177.27 1.78 -9.09 -0.9 0
295036 117512478 1 BrFO4C13H14 ABC4D13E14 -188.37 5.95 -9.23 -0.94 0
295037 117512508 1 BrO5C13H17 AB5C13D17 -183.39 4.71 -8.65 -0.52 0
295038 117512535 1 BrO5C13H17 AB5C13D17 -181.59 3.7 -8.68 -0.33 0
295039 117512597 1 BrFN2O2C13H18 ABC2D2E13F18 -98.92 2.94 -8.71 -0.58 0
295040 117512598 1 BrFN2O2C13H18 ABC2D2E13F18 -94.84 4.26 -7.7 -0.27 0
295041 117512605 1 BrFN2O2C13H18 ABC2D2E13F18 -87.99 2.35 -8.72 -0.31 0
295042 117512624 1 BrFSN2C13H18 ABCD2E13F18 -21.62 2.28 -8.66 -0.68 0
295043 117512626 1 NSF2O6H9C12 ABC2D6E9F12 -237.85 4.19 -9.83 -2.05 0
295044 117512633 1 FS2N3O4C11H12 AB2C3D4E11F12 -142.76 6.96 -9.2 -1.23 0
295045 117512661 1 NO4C19H27 AB4C19D27 -162.05 7.44 -8.83 -0.27 0
295046 117512663 1 NO4C19H27 AB4C19D27 -198.0 3.84 -9.89 -0.48 0
295047 117512683 1 NO3C20H31 AB3C20D31 -148.6 7.84 -8.9 -0.1 0
295048 117512732 1 BrClO3C13H14 ABC3D13E14 -102.9 5.91 -9.37 -0.8 0
295049 117512736 1 BrClO3C13H14 ABC3D13E14 -119.12 5.99 -9.54 -0.9 0
295050 117512818 1 BrFNO4C12H13 ABCD4E12F13 -190.93 9.75 -9.39 -0.99 0
295051 117512945 1 SF2O5C14H16 AB2C5D14E16 -286.89 7.66 -9.89 -1.47 0
295052 117513031 1 ClS2O4C13H15 AB2C4D13E15 -135.19 7.94 -8.7 -1.0 0
295053 117513222 1 NSF2O5C13H15 ABC2D5E13F15 -275.64 3.64 -9.91 -1.36 0
295054 117513534 1 S2O7C12H16 A2B7C12D16 -263.71 9.11 -10.58 -1.19 0
295055 117513555 1 SO4C18H24 AB4C18D24 -144.2 7.47 -8.78 -0.28 0
295056 117513573 1 SN2O2C18H28 AB2C2D18E28 -61.18 3.25 -8.16 0.31 0
295057 117513596 1 ClN2O4C16H17 AB2C4D16E17 -118.54 10.13 -9.16 -0.73 0
295058 117513601 1 ClN2O4C16H17 AB2C4D16E17 -84.99 7.67 -8.86 -0.71 0
295059 117513682 1 BrN2O3H13C14 AB2C3D13E14 -38.2 3.99 -9.32 -1.08 0
295060 117513683 1 BrN2O3H13C14 AB2C3D13E14 -37.95 5.46 -9.07 -0.81 0
295061 117513889 1 BrNO4H12C14 ABC4D12E14 -74.78 3.7 -9.8 -1.5 0
295062 117513902 1 BrNO4H12C14 ABC4D12E14 -53.33 6.05 -9.46 -1.34 0
295063 117513906 1 BrNO4H12C14 ABC4D12E14 -78.31 5.48 -9.84 -1.5 0
295064 117514241 1 BrNOC17H24 ABCD17E24 -41.91 1.86 -8.9 -0.1 0
295065 117514318 1 N2O2C21H26 A2B2C21D26 -57.18 6.59 -8.33 -0.12 0
295066 117514538 1 BrO3C16H19 AB3C16D19 -121.88 5.0 -9.74 -0.57 0
295067 117514641 1 BrON2C16H23 ABC2D16E23 -40.2 3.32 -8.52 -0.24 0
295068 117514723 1 ClNO2F4C14H14 ABC2D4E14F14 -277.74 3.12 -9.51 -0.9 0
295069 117514758 1 BrNO5H10C13 ABC5D10E13 -105.95 4.9 -9.15 -1.35 0
295070 117514760 1 BrNO5H10C13 ABC5D10E13 -104.91 8.25 -9.03 -1.2 0
295071 117514845 1 BrFON3C14H15 ABCD3E14F15 -3.84 4.43 -8.81 -0.55 0
295072 117514999 1 BrNO2C16H22 ABC2D16E22 -87.14 4.3 -8.94 -0.3 0
295073 117515291 1 ClSO4C16H17 ABC4D16E17 -121.43 6.22 -8.8 -0.97 0
295074 117515297 1 ClSO3C17H21 ABC3D17E21 -135.89 3.98 -8.89 -0.5 0