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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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292900 117362982 1 ON2C15H20 AB2C15D20 -34.83 5.53 -8.27 0.08 0
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292901 117362991 1 ON2C15H20 AB2C15D20 -17.44 2.28 -9.13 -0.5 0
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292902 117362993 1 ON2C15H20 AB2C15D20 -41.29 2.41 -8.73 -0.11 0
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292903 117362997 1 ON2C15H20 AB2C15D20 -6.44 2.27 -8.0 0.16 0
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292904 117363043 1 ON2C15H20 AB2C15D20 -3.41 1.66 -8.73 -0.14 0
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292905 117363058 1 ON2C15H20 AB2C15D20 -35.09 1.81 -8.73 -0.05 0
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292906 117363153 1 ON2C15H20 AB2C15D20 -16.71 3.8 -8.06 0.18 0
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292907 117363492 2 NC8H12 AB8C12 6.52 1.98 -8.73 0.31 0
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292908 117363495 2 NC8H12 AB8C12 8.27 2.37 -8.65 0.38 0
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292909 117363738 1 ClO4C11H13 AB4C11D13 -168.56 5.38 -9.28 -0.66 0
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292910 117363739 1 ClO4C11H13 AB4C11D13 -174.65 3.31 -8.63 -0.06 0
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292911 117363778 1 ClFO2C12H14 ABC2D12E14 -148.34 5.25 -9.66 -0.49 0
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292912 117363813 1 ClFO2C12H14 ABC2D12E14 -147.45 4.8 -9.72 -0.52 0
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292913 117363857 1 ClO3C12H17 AB3C12D17 -130.11 4.92 -8.82 -0.18 0
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292914 117363870 1 ClO3C12H17 AB3C12D17 -123.57 3.28 -8.31 -0.08 0
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292915 117363886 1 ClO3C12H17 AB3C12D17 -134.5 3.49 -9.28 -0.37 0
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292916 117363935 1 ClFOC13H18 ABCD13E18 -117.02 1.64 -9.4 -0.08 0
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292917 117364086 1 BrO2C10H13 AB2C10D13 -71.32 2.3 -9.42 -0.14 0
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292918 117365089 1 O2N3C13H15 A2B3C13D15 -30.55 5.58 -9.08 -0.47 0
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292919 117365110 1 O2N3C13H15 A2B3C13D15 -36.95 6.29 -9.14 -0.6 0
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292920 117365139 1 O2N3C13H15 A2B3C13D15 2.48 3.78 -8.19 -0.92 0
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292921 117365153 1 O2N3C13H15 A2B3C13D15 7.03 3.25 -8.25 -0.15 0
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292922 117365235 1 FNOC15H16 ABCD15E16 -67.47 4.74 -9.54 -0.2 0
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292923 117365265 1 FN3C14H16 AB3C14D16 2.06 5.79 -9.07 -0.74 0
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292924 117365271 1 FN3C14H16 AB3C14D16 17.91 5.13 -9.09 -0.75 0
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292925 117365281 1 FNSO2C11H16 ABCD2E11F16 -111.49 5.03 -8.75 -0.55 0
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292926 117365332 1 NO2C15H19 AB2C15D19 -60.07 6.51 -8.28 0.17 0
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292927 117365339 1 NO2C15H19 AB2C15D19 -55.45 3.67 -9.05 0.06 0
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292928 117365372 1 NO2C15H19 AB2C15D19 -37.04 2.03 -8.77 -0.08 0
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292929 117365386 1 NO2C15H19 AB2C15D19 -54.02 4.19 -9.65 -0.19 0
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292930 117365389 1 NO2C15H19 AB2C15D19 -67.59 3.27 -8.99 -0.05 0
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292931 117365435 1 NO2C15H19 AB2C15D19 -56.28 4.41 -8.82 -0.21 0
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292932 117365452 1 NO2C15H19 AB2C15D19 -59.28 1.59 -7.99 -0.15 0
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292933 117365456 1 NO2C15H19 AB2C15D19 -85.0 4.85 -9.13 0.26 0
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292934 117365524 1 ON3C14H19 AB3C14D19 -8.41 3.67 -9.1 -0.25 0
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292935 117365525 1 ON3C14H19 AB3C14D19 -10.33 5.78 -8.94 -0.14 0
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292936 117365526 1 ON3C14H19 AB3C14D19 -11.44 3.97 -8.7 0.1 0
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292937 117365593 1 ON3C14H19 AB3C14D19 11.36 3.57 -8.7 0.02 0
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292938 117365607 1 ON3C14H19 AB3C14D19 -9.19 2.77 -9.03 -0.24 0
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292939 117365609 1 ON3C14H19 AB3C14D19 -11.42 3.09 -8.76 -0.01 0
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292940 117365628 1 ON3C14H19 AB3C14D19 0.54 4.06 -8.6 0.11 0
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292941 117365639 1 ON3C14H19 AB3C14D19 -20.31 4.74 -8.74 -0.08 0
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292942 117365642 1 ON3C14H19 AB3C14D19 -10.06 3.32 -8.65 -0.04 0
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292943 117365783 1 SN3C13H15 AB3C13D15 54.08 3.21 -8.13 -0.01 0
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292944 117365817 1 NOSC14H15 ABCD14E15 -6.84 2.75 -8.53 -0.32 0
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292945 117365835 1 NO2S2C10H15 AB2C2D10E15 -65.59 3.49 -9.03 -0.76 0
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292946 117365836 1 NO2S2C10H15 AB2C2D10E15 -62.06 6.47 -8.63 -0.67 0
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292947 117366103 1 NOC16H23 ABC16D23 -41.13 2.2 -8.45 0.45 0
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292948 117366114 1 NOC16H23 ABC16D23 -25.21 5.71 -9.06 -0.47 0
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292949 117366143 1 NOC16H23 ABC16D23 -55.07 1.06 -8.43 0.47 0