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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216122 85085759 2 O2C6H11 A2B6C11 -223.55 1.39 -10.75 0.66 0
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216123 85085760 1 O2C15H18 A2B15C18 -72.01 2.09 -9.33 0.41 0
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216124 85085761 1 O3C13H26 A3B13C26 -201.21 3.87 -10.33 0.81 0
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216125 85085762 1 OC16H22 AB16C22 -25.63 2.31 -9.39 0.85 0
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216126 85085763 1 SO2C12H22 AB2C12D22 -111.26 2.21 -8.79 0.14 0
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216127 85085764 1 SiO3C11H22 AB3C11D22 -197.26 1.09 -9.8 -0.21 0
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216128 85085765 1 ClON2H7C12 ABC2D7E12 47.75 6.93 -10.07 -2.23 0
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216129 85085766 1 BrO2C9H11 AB2C9D11 -72.86 4.54 -10.03 -0.12 0
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216130 85085767 1 NO5C10H17 AB5C10D17 -162.04 5.35 -10.98 -1.29 0
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216131 85085768 1 NO5C10H17 AB5C10D17 -250.86 3.32 -10.11 0.63 0
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216132 85085769 1 NO5C10H17 AB5C10D17 -210.53 2.81 -10.41 -0.21 0
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216133 85085770 1 NO3C13H13 AB3C13D13 -70.63 2.61 -9.73 -1.64 0
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216134 85085771 1 N3O4C9H17 A3B4C9D17 -100.77 3.88 -9.67 0.1 0
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216135 85085772 1 O2N3C12H13 A2B3C12D13 -11.66 11.06 -9.52 -1.13 0
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216136 85085773 1 O2N3C12H13 A2B3C12D13 -13.93 4.19 -9.4 -0.44 0
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216137 85085776 1 O2N5C9H21 A2B5C9D21 -96.94 4.49 -9.4 0.7 0
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216138 85085777 1 NOC15H21 ABC15D21 -27.49 2.77 -8.64 -0.71 0
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216139 85085779 1 NSC14H17 ABC14D17 45.88 5.84 -8.59 -0.77 0
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216140 85085782 1 OSF3H7C10 ABC3D7E10 -145.67 6.01 -9.41 -1.3 0
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216141 85085786 1 O2C15H20 A2B15C20 -66.84 2.65 -9.09 0.47 1
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216142 85085791 1 ON5C11H16 AB5C11D16 18.73 3.01 0.0 0.0 0
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216143 85085792 1 NO2C14H19 AB2C14D19 -43.75 3.7 -8.37 0.05 0
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216144 85085793 1 NO2C14H19 AB2C14D19 -33.58 2.58 -8.77 0.54 0
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216145 85085794 1 NO2C14H19 AB2C14D19 -69.07 2.34 -8.8 0.27 0
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216146 85085796 1 N2O4H10C11 A2B4C10D11 -88.75 4.03 -10.52 -0.37 0
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216147 85085797 1 LiSN2O2C10H17 ABC2D2E10F17 -92.31 8.5 -7.64 -0.01 0
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216148 85085798 1 SN2O2C10H18 AB2C2D10E18 -106.55 4.71 -8.95 -0.6 0
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216149 85085799 1 O4C13H14 A4B13C14 -144.31 5.04 -9.89 -0.58 0
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216150 85085800 1 O4C13H14 A4B13C14 -135.03 8.46 -9.53 -0.59 0
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216151 85085801 1 ON4C12H18 AB4C12D18 81.06 4.41 -9.96 -0.26 0
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216152 85085802 1 O2C15H22 A2B15C22 -93.04 3.27 -9.4 0.32 0
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216153 85085806 1 ClOC14H15 ABC14D15 -43.94 3.29 -9.41 -0.22 0
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216154 85085807 1 BrO3C8H11 AB3C8D11 -125.65 1.59 -10.6 -0.97 0
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216155 85085809 1 O2N5C10H13 A2B5C10D13 4.44 3.44 -8.97 -0.85 0
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216156 85085810 1 NO3C13H17 AB3C13D17 -94.29 2.45 -9.48 0.38 0
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216157 85085811 1 NO3C13H17 AB3C13D17 -72.04 4.86 -9.36 -0.09 0
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216158 85085813 1 HOC3Cl3F4 ABC3D3E4 -270.84 1.77 -11.65 -1.53 0
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216159 85085814 1 N2O4C11H12 A2B4C11D12 -118.78 5.22 -10.24 -2.03 0
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216160 85085815 2 NOH4C7 ABC4D7 33.29 2.14 -9.12 -1.65 0
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216161 85085816 1 FOSN2C11H11 ABCD2E11F11 -63.08 4.07 -9.1 -0.79 0
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216162 85085817 1 N2O3C12H16 A2B3C12D16 -70.99 2.15 -10.57 -0.08 0
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216163 85085818 1 N2O3C12H18 A2B3C12D18 -126.8 5.64 -9.79 0.16 0
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216164 85085819 1 O2N4C11H16 A2B4C11D16 -50.21 2.51 -8.32 -0.02 0
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216165 85085820 1 ON6C10H20 AB6C10D20 0.2 4.29 -9.17 -0.09 0
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216166 85085821 1 FO2C14H17 AB2C14D17 -130.25 2.82 -10.03 -0.61 0
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216167 85085823 1 O3C14H20 A3B14C20 -134.76 1.36 -9.6 0.06 0
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216168 85085825 1 SiN2O2C11H16 AB2C2D11E16 -87.59 1.47 -9.95 -0.79 0
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216169 85085826 1 OC16H28 AB16C28 -87.12 1.99 -9.28 1.6 0
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216170 85085827 1 OC16H28 AB16C28 -76.81 1.89 -9.1 1.15 0
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216171 85085828 1 OSiC14H24 ABC14D24 -89.42 2.19 -9.0 0.89 0