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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230099 87570167 1 SiS2O4C47H80 AB2C4D47E80 -305.32 3.32 -8.28 0.04 0
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230100 87570168 1 SN3O4F6H11C13 AB3C4D6E11F13 -368.61 8.11 -10.14 -1.44 0
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230101 87570181 1 FO3N6C23H27 AB3C6D23E27 -33.57 4.85 -8.66 -0.92 0
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230102 87570182 2 FC4H7 AB4C7 -118.47 2.44 -10.18 1.17 0
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230103 87570184 2 FC4H7 AB4C7 -112.02 1.76 -10.24 1.11 0
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230104 87570198 1 NaSO3N8H18C32 ABC3D8E18F32 86.1 4.79 0.0 0.0 0
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230105 87570200 1 N2O7C29H34 A2B7C29D34 -181.41 7.53 -8.46 -0.21 0
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230107 87570208 1 FNO6C28H30 ABC6D28E30 -186.23 1.52 -8.47 -0.94 0
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230108 87570226 1 ClFNO4H17C19 ABCD4E17F19 -112.68 3.39 -9.08 -0.8 0
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230109 87570233 1 N2O11H20C21 A2B11C20D21 -235.11 1.24 -9.52 -1.52 0
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230110 87570234 1 O5N12C31H50 A5B12C31D50 -33.75 12.3 -8.19 -1.76 0
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230111 87570238 1 FNO3C10H10 ABC3D10E10 -62.48 6.1 -9.96 -1.26 0
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230112 87570241 1 NO4C17H25 AB4C17D25 -142.63 5.0 -9.57 0.11 0
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230113 87570242 1 FNO3C17H22 ABC3D17E22 -122.87 7.01 -9.26 -0.46 0
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230114 87570243 1 SO2N3C11H11 AB2C3D11E11 -28.58 12.5 -8.83 -1.44 0
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230115 87570244 1 O4C19H36 A4B19C36 -255.55 8.15 -10.34 0.16 0
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230116 87570245 1 O4C19H36 A4B19C36 -253.45 3.37 -10.53 0.68 0
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230117 87570247 2 O3H4C5 A3B4C5 -2.5 8.1 -9.7 -1.62 0
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230118 87570249 1 ClO2N3C16H24 AB2C3D16E24 -24.84 3.13 -7.99 -0.1 0
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230119 87570250 1 O6C21H38 A6B21C38 -346.66 3.37 -10.85 0.26 0
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230120 87570251 1 ClFN2O4H20C21 ABC2D4E20F21 -72.5 3.06 -9.35 -0.44 0
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230121 87570252 1 F2N2O5C27H28 A2B2C5D27E28 -189.04 6.1 -8.69 -0.78 0
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230122 87570254 1 F2N2O5C27H28 A2B2C5D27E28 -218.5 6.61 -9.08 -0.84 0
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230123 87570255 2 O3C14H14 A3B14C14 -218.23 1.46 -9.06 -0.09 0
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230124 87570256 2 O8C29H32 A8B29C32 -290.45 3.66 -8.56 -0.09 1
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230125 87570257 1 N2O6H11C12 A2B6C11D12 -150.9 6.09 0.0 0.0 0
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230126 87570261 1 NBr2O4H17C19 AB2C4D17E19 -50.28 5.21 -8.96 -0.67 0
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230127 87570262 1 NBr2O4H17C19 AB2C4D17E19 -52.3 6.94 -8.8 -0.77 0
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230128 87570270 1 SCl2O2N5C24H29 AB2C2D5E24F29 -23.77 3.76 -8.75 -1.3 0
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230129 87570273 1 ClOC5H9 ABC5D9 -56.99 2.66 -9.46 0.45 0
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230130 87570275 1 FS2O3N5H16C18 AB2C3D5E16F18 -65.87 3.33 -9.18 -1.34 0
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230131 87570277 1 NSO6C29H33 ABC6D29E33 -140.98 2.56 -8.35 -0.53 1
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230132 87570278 1 NO2C10H20 AB2C10D20 -61.83 3.58 0.0 0.0 0
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230133 87570279 1 NSO6C29H33 ABC6D29E33 -139.84 1.77 -8.54 -0.77 0
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230134 87570280 1 SN3O4C27H29 AB3C4D27E29 -66.19 4.37 -8.7 -0.94 1
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230135 87570281 1 NO2C11H22 AB2C11D22 -69.89 2.87 0.0 0.0 0
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230136 87570282 1 NSSiF3O5C30H32 ABCD3E5F30G32 -263.22 7.58 -8.36 -1.93 0
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230138 87570286 1 FS2O3N5H16C18 AB2C3D5E16F18 -73.85 3.54 -9.25 -1.39 0
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230140 87570291 2 OC11H21 AB11C21 -169.46 5.67 -10.34 -0.19 0
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230141 87570292 1 ClN2O2F6H17C21 AB2C2D6E17F21 -372.99 3.83 -10.1 -1.24 0
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230142 87570293 1 ClON6C16H17 ABC6D16E17 47.46 5.62 -9.02 -1.08 0
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230143 87570295 1 CuS2N6C7H13 AB2C6D7E13 149.04 10.69 -8.46 -0.6 1
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230144 87570296 1 NBr2O4Cl8H18C24 AB2C4D8E18F24 -118.52 7.93 0.0 0.0 0
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230147 87570299 1 NO3C21H23 AB3C21D23 -92.05 1.56 -8.91 -0.51 0
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230148 87570300 2 NSH17C21 ABC17D21 186.69 3.21 -7.76 -0.19 0
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230149 87570301 2 OC4H6 AB4C6 -69.09 4.95 -10.25 0.35 0
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230150 87570302 1 O2N6H14C15 A2B6C14D15 24.87 6.74 -9.02 -1.2 0
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230151 87570306 1 SCl2N5O5C26H33 AB2C5D5E26F33 -121.04 2.52 -8.93 -1.44 -1
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230152 87570307 1 SCl2N5O5C26H32 AB2C5D5E26F32 -120.16 6.52 0.0 0.0 0
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230153 87570309 1 O3N5H15C16 A3B5C15D16 -4.29 3.11 -8.8 -0.96 0