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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47118 10529722 1 O5C32H46 A5B32C46 -260.48 6.01 -9.48 -0.27 0
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47119 10529723 2 O2N3C13H25 A2B3C13D25 -254.87 2.67 -9.39 0.1 0
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47120 10529726 1 BrIN2O4C16H20 ABC2D4E16F20 -152.91 2.72 -9.5 -1.02 0
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47121 10529730 1 BrO5C27H27 AB5C27D27 -115.03 3.56 -8.61 -0.07 0
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47122 10529734 1 O4N7H25C27 A4B7C25D27 4.65 8.29 -8.95 -1.23 0
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47123 10529740 1 NSO6C28H33 ABC6D28E33 -200.06 5.98 -8.45 -0.14 0
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47124 10529741 1 N3O5C29H41 A3B5C29D41 -235.23 6.41 -9.74 -0.38 0
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47125 10529761 1 O3H32C36 A3B32C36 8.27 1.25 -9.37 -0.06 0
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47126 10529773 1 SO2C33H52 AB2C33D52 -144.94 5.68 -9.83 -0.48 0
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47127 10529778 1 N3P3Cl4O6C10H20 A3B3C4D6E10F20 -391.92 6.14 -8.73 -2.21 0
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47128 10529779 1 Cl2O9H22C23 A2B9C22D23 -332.52 4.78 -9.19 -1.31 0
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47129 10529794 1 NPSiO5C27H36 ABCD5E27F36 -244.35 3.01 -9.14 -0.06 0
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47130 10529795 1 SN3O5C27H35 AB3C5D27E35 -140.41 8.46 -8.66 -0.98 0
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47131 10529798 1 CoN2Cl3O3C21H23 AB2C3D3E21F23 -110.04 23.72 0.0 0.0 0
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47132 10529819 1 O8C29H38 A8B29C38 -348.5 6.43 -9.78 -0.68 0
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47133 10529864 1 O10C27H32 A10B27C32 -339.61 4.6 -9.72 -0.51 0
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47134 10529872 1 N2O7C28H40 A2B7C28D40 -297.91 3.29 -9.85 -0.26 0
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47135 10529887 1 O3N4C28H40 A3B4C28D40 -123.46 2.78 -9.16 -0.4 0
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47136 10529902 1 NSSiF3O3C25H38 ABCD3E3F25G38 -322.88 4.47 -8.71 -1.32 0
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47137 10529904 1 NSiO3C32H43 ABC3D32E43 -153.45 3.15 -9.0 0.12 0
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47138 10529908 1 BrNSO5C24H24 ABCD5E24F24 -145.43 7.2 -9.5 -0.46 0
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47139 10529914 1 O11C26H30 A11B26C30 -441.52 5.11 -8.73 -0.41 0
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47140 10529924 1 O3N4H30C32 A3B4C30D32 -25.12 7.36 -8.82 -0.47 0
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47141 10529925 1 N2P2O3C28H44 A2B2C3D28E44 -171.68 3.44 -8.3 -0.15 1
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47142 10529947 1 O2N3C22H32 A2B3C22D32 -65.77 3.11 0.0 0.0 0
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47143 10529953 1 O2S2N5C27H29 A2B2C5D27E29 31.62 4.87 -8.5 -0.48 0
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47144 10529965 1 PO2Se2C23H23 AB2C2D23E23 -27.61 6.19 -8.4 -0.36 0
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47145 10529967 1 O5F6C25H26 A5B6C25D26 -457.66 5.61 -9.52 -0.32 0
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47146 10529969 1 P2O9C23H38 A2B9C23D38 -555.42 4.42 -9.74 0.36 0
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47147 10529978 1 N2O5H28C32 A2B5C28D32 -116.29 9.18 -8.77 -0.81 0
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47148 10529981 2 NOH14C18 ABC14D18 214.47 1.88 -7.82 -1.3 0
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47149 10529984 1 N4O6C27H44 A4B6C27D44 -307.78 10.05 -9.71 -0.07 0
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47150 10529988 1 O5C33H44 A5B33C44 -216.4 5.36 -8.77 -0.84 0
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47151 10529995 1 Si3O5C25H56 A3B5C25D56 -443.83 1.68 -8.9 0.9 0
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47152 10530006 1 N5O5H23C29 A5B5C23D29 -73.45 8.19 -8.49 -1.3 0
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47153 10530008 1 O4N11C23H27 A4B11C23D27 -25.86 6.37 -8.4 -0.59 0
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47154 10530011 1 SN3O6C27H27 AB3C6D27E27 -135.19 11.14 -8.55 -1.15 0
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47155 10530015 1 N3O7C27H43 A3B7C27D43 -340.62 8.04 -9.49 -0.47 0
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47156 10530016 1 O2S2N3H23C30 A2B2C3D23E30 53.95 5.02 -8.42 -1.33 0
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47157 10530025 1 ClNO4C31H36 ABC4D31E36 -150.17 2.95 -8.35 -0.17 0
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47158 10530028 1 N2F3O3H29C30 A2B3C3D29E30 -151.22 4.46 -9.18 -1.38 0
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47159 10530057 1 N3O7C28H33 A3B7C28D33 -282.42 6.86 -9.51 0.03 0
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47160 10530060 1 SN5O5C26H29 AB5C5D26E29 -89.06 4.21 -9.06 -0.5 0
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47161 10530061 1 SO6N7C22H33 AB6C7D22E33 -225.83 3.53 -9.38 -0.66 0
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47162 10530067 1 NOH37C38 ABC37D38 62.69 1.5 -8.16 -0.18 0
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47163 10530081 1 NCl2O3C30H31 AB2C3D30E31 -68.71 3.36 -9.03 -1.18 0
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47164 10530127 1 SN3O6C26H43 AB3C6D26E43 -303.13 1.88 -9.17 -0.15 0
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47165 10530132 1 ClF3N3O5H23C24 AB3C3D5E23F24 -321.84 1.32 -8.48 -1.1 0
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47166 10530134 2 BrNC13H13 ABC13D13 61.59 7.75 -7.87 -0.95 2
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47167 10530135 2 NC13H13 AB13C13 161.96 4.56 -4.32 -1.9 0