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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398059 135031583 2 OC5H8 AB5C8 -102.27 6.37 -10.34 0.1 0
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398060 135031586 1 OH22C24 AB22C24 37.64 3.77 -8.93 -0.48 0
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398061 135031588 2 ClNSC8H10 ABCD8E10 5.61 2.13 -8.65 -1.45 0
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398062 135031589 1 OC13H22 AB13C22 -62.04 4.03 -9.74 0.49 0
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398063 135031595 1 O4C19H28 A4B19C28 -164.34 2.71 -8.31 0.24 0
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398065 135031606 1 N2O5C21H30 A2B5C21D30 -219.42 5.2 -9.31 -0.29 0
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398066 135031612 1 O2N3C17H19 A2B3C17D19 34.02 5.04 -9.37 0.12 0
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398067 135031619 2 NOH8C9 ABC8D9 39.92 3.91 -8.46 -0.86 -2
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398069 135031621 1 N2O2H22C25 A2B2C22D25 58.4 1.7 -8.46 -0.57 0
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398070 135031622 1 N2O4C17H18 A2B4C17D18 -137.02 1.89 -8.58 -0.29 0
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398071 135031623 1 NO4C16H17 AB4C16D17 -115.78 2.89 -8.58 -0.19 0
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398072 135031624 1 NSiO5C23H35 ABC5D23E35 -259.58 2.0 -8.62 -0.21 0
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398073 135031628 1 FO3C19H19 AB3C19D19 -109.16 2.94 -8.63 -0.47 0
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398074 135031629 1 O3H18C19 A3B18C19 -64.54 2.72 -8.58 -0.85 0
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398075 135031630 2 FOH8C9 ABC8D9 -121.98 2.23 -9.34 -0.61 0
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398076 135031631 1 FO2H15C18 AB2C15D18 -78.42 1.67 -9.21 -0.93 0
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398077 135031632 1 FO3C19H19 AB3C19D19 -113.74 2.97 -9.06 -0.26 0
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398078 135031633 1 FO3C19H19 AB3C19D19 -110.97 3.01 -8.59 -0.26 0
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398079 135031636 1 NO2C14H15 AB2C14D15 36.83 3.15 -10.66 0.14 0
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398080 135031640 1 NO2C8H13 AB2C8D13 -83.39 2.58 -9.48 0.5 0
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398081 135031643 1 NSiO2C19H33 ABC2D19E33 -160.41 3.26 -8.74 0.35 0
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398082 135031655 1 O3N4C14H16 A3B4C14D16 -4.12 10.82 -9.34 -0.46 0
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398083 135031661 1 C17H28 A17B28 -5.6 0.9 -8.94 1.25 0
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398084 135031667 2 OC10H12 AB10C12 -52.19 1.67 -9.17 0.32 0
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398085 135031682 2 O2C11H16 A2B11C16 -207.06 1.26 -8.68 0.63 0
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398086 135031685 1 FN2O2C17H17 AB2C2D17E17 -18.13 3.9 -9.03 -0.55 0
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398087 135031692 1 NO4C12H13 AB4C12D13 -130.97 2.58 -10.1 -0.82 0
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398088 135031705 1 NOC10H15 ABC10D15 -10.5 4.64 -8.52 -0.19 0
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398089 135031726 1 FO3C19H19 AB3C19D19 -105.92 2.89 -8.64 -0.2 0
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398090 135031733 1 N4C23H28 A4B23C28 57.06 2.52 -7.91 0.4 0
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398091 135031734 1 NSO3C14H19 ABC3D14E19 -24.97 8.51 -9.26 -0.21 0
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398092 135031737 1 NF3O7C19H20 AB3C7D19E20 -388.67 6.41 -10.07 -1.25 0
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398093 135031738 1 BrNO7C18H20 ABC7D18E20 -219.06 4.05 -9.63 -1.29 0
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398094 135031739 1 NO8C19H23 AB8C19D23 -266.28 2.38 -9.03 -0.83 0
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398095 135031742 1 NO7C14H19 AB7C14D19 -235.91 3.63 -9.8 -1.03 0
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398096 135031747 1 O2S2H16C17 A2B2C16D17 -28.89 3.25 -8.69 -0.04 0
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398097 135031759 1 O3N5C16H22 A3B5C16D22 35.93 6.84 0.0 0.0 0
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398098 135031770 1 NO3C11H19 AB3C11D19 -88.56 1.56 -9.99 -0.46 0
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398099 135031777 1 O3H14C19 A3B14C19 -53.26 4.22 -8.72 -1.05 0
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398100 135031780 2 O2H5C8 A2B5C8 -75.23 4.64 -8.75 -1.2 0
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398101 135031793 1 ON2F7H13C16 AB2C7D13E16 -340.68 4.63 -9.75 -0.89 0
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398102 135031796 1 OC14H24 AB14C24 -68.9 3.44 -10.03 0.77 0
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398103 135031798 1 O4H14C19 A4B14C19 -75.07 3.76 -9.82 -1.39 0
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398104 135031805 1 ClO2N7H14C17 AB2C7D14E17 70.96 6.37 -9.23 -1.04 0
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398105 135031806 1 ClO2N7H14C17 AB2C7D14E17 72.36 8.05 -9.17 -0.96 0
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398106 135031807 1 BrO2N7H14C17 AB2C7D14E17 83.01 6.44 -9.23 -1.04 0
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398107 135031808 1 FO2N7H14C17 AB2C7D14E17 33.31 7.86 -9.23 -1.04 0
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398108 135031809 1 O2N7H15C17 A2B7C15D17 81.71 7.05 -9.12 -0.95 0
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398109 135031810 1 O2N7H17C18 A2B7C17D18 71.63 6.47 -9.06 -0.92 0
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398110 135031813 1 F3O3N7H14C18 A3B3C7D14E18 -123.67 6.09 -9.3 -1.08 0