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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
374893 131349677 2 NO2H4C5 AB2C4D5 -42.98 6.31 -10.71 -1.68 0
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374894 131349690 1 NO2C10H11 AB2C10D11 -50.37 7.05 -9.35 -0.29 0
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374895 131349693 1 OSN3C8H11 ABC3D8E11 -12.09 3.51 -8.17 -0.31 0
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374896 131349698 1 NO2C10H11 AB2C10D11 -43.78 4.29 -8.8 -0.71 0
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374897 131349701 1 NO2C10H11 AB2C10D11 -44.3 3.82 -8.9 -0.59 0
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374898 131349703 2 FOC5H6 ABC5D6 -181.42 3.83 -8.61 -0.32 0
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374899 131349705 2 FOC5H6 ABC5D6 -177.86 1.25 -8.58 -0.32 0
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374900 131349706 2 FOC5H6 ABC5D6 -185.15 3.29 -8.97 -0.1 0
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374901 131349713 2 FOC5H6 ABC5D6 -181.37 0.8 -8.75 -0.19 0
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374902 131349714 2 FOC5H6 ABC5D6 -181.87 2.81 -8.84 -0.22 0
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374903 131349718 2 FOC5H6 ABC5D6 -178.15 3.81 -9.18 -0.36 0
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374904 131349720 2 FOC5H6 ABC5D6 -187.9 5.16 -9.2 0.04 0
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374905 131349724 1 IOF2H5C7 ABC2D5E7 -98.9 2.02 -9.85 -1.44 0
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374906 131349725 1 NOF4H5C9 ABC4D5E9 -198.74 5.04 -10.06 -1.24 0
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374907 131349730 1 ClIOF2H4C8 ABCD2E4F8 -92.71 1.25 -9.97 -1.55 0
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374908 131349733 4 FHOC2 ABCD2 -347.4 5.5 -10.33 -1.74 0
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374909 131349738 1 BrIOF2H4C8 ABCD2E4F8 -83.61 3.82 -10.22 -1.68 0
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374910 131349740 1 ClIOF2H4C8 ABCD2E4F8 -95.11 2.02 -9.92 -1.52 0
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374911 131349741 1 ClIOF2H4C8 ABCD2E4F8 -95.23 3.86 -10.28 -1.79 0
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374912 131349742 1 ClIOF2H4C8 ABCD2E4F8 -91.35 1.65 -9.93 -1.49 0
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374913 131349743 1 ClIOF2H4C8 ABCD2E4F8 -91.2 4.66 -10.08 -1.69 0
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374914 131349746 1 IOF2H3C6 ABC2D3E6 -90.05 1.04 -9.58 -1.37 0
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374915 131349748 2 OF2H3C4 AB2C3D4 -282.97 4.27 -9.98 -0.83 0
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374916 131349749 2 OF2H3C4 AB2C3D4 -277.06 1.41 -10.02 -1.08 0
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374917 131349756 1 ClIOF2H4C8 ABCD2E4F8 -92.64 2.03 -10.03 -1.66 0
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374918 131349757 1 ClIOF2H4C8 ABCD2E4F8 -95.38 2.09 -9.87 -1.48 0
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374919 131349760 1 BrO2F4H5C9 AB2C4D5E9 -268.69 1.39 -10.48 -1.61 0
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374920 131390507 1 NF2O2C9H11 AB2C2D9E11 -174.33 1.69 -8.94 -0.28 0
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374921 131407082 1 ClSN2C11H13 ABC2D11E13 40.76 2.72 -8.61 -0.54 0
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374922 131407083 1 ClSF2O2H5C9 ABC2D2E5F9 -152.13 4.2 -8.93 -1.07 0
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374923 131407106 1 NO4C11H13 AB4C11D13 -162.43 6.2 -9.32 -0.99 0
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374924 131407110 1 N3O3C10H13 A3B3C10D13 -99.13 2.2 -8.51 0.01 0
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374925 131407112 1 N3O3C10H13 A3B3C10D13 -104.29 5.54 -9.7 -0.56 0
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374926 131407120 1 ClNSO3H8C10 ABCD3E8F10 -21.6 5.35 -9.09 -1.69 0
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374927 131407126 1 BrNSO2H8C10 ABCD2E8F10 -36.02 5.04 -8.52 -0.96 0
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374928 131407181 1 BrNO2C12H16 ABC2D12E16 -84.94 2.31 -9.68 -0.26 0
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374929 131407182 1 BNO4C15H22 ABC4D15E22 -228.11 3.41 -9.14 -0.06 0
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374930 131407183 1 BNO3C15H24 ABC3D15E24 -203.95 3.09 -8.85 0.12 0
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374931 131407184 1 BNO3C15H24 ABC3D15E24 -200.95 2.89 -8.92 0.03 0
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374932 131407186 1 NOF3C10H12 ABC3D10E12 -185.96 4.92 -9.95 -0.84 0
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374933 131407195 1 NF3C11H12 AB3C11D12 -120.62 3.66 -9.76 -0.65 0
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374934 131407246 1 ClNSF3H7C10 ABCD3E7F10 -129.72 2.14 -9.12 -1.05 0
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374935 131407344 1 BNF2O3C16H22 ABC2D3E16F22 -303.18 4.65 -9.31 0.09 0
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374936 131407345 1 N2O3C11H12 A2B3C11D12 -99.04 6.03 -9.15 -0.43 0
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374937 131407346 1 N2O3C11H12 A2B3C11D12 -99.13 4.54 -8.94 -0.4 0
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374938 131407378 1 BrSO3H7C11 ABC3D7E11 -69.38 7.49 -9.35 -1.58 0
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374939 131407413 1 SF2O2H8C10 AB2C2D8E10 -140.57 2.79 -8.84 -0.84 0
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374940 131407414 1 SF2O2H8C10 AB2C2D8E10 -142.34 5.12 -8.6 -1.01 0
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374941 131407453 1 ON4H6C7 AB4C6D7 76.07 5.68 -9.55 -0.67 0
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374942 131407524 1 SBr2F3H5C10 AB2C3D5E10 -115.35 2.94 -9.37 -1.53 0