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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408249 135081011 1 OSSeH6C7 ABCD6E7 7.68 1.02 -8.14 -0.62 -1
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408250 135081012 1 CoH5O6C7 AB5C6D7 -169.33 23.52 -10.44 -6.13 0
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408251 135081013 1 NO3H9C10 AB3C9D10 -73.85 7.45 -10.43 -0.69 0
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408252 135081014 1 PC7O8H15 AB7C8D15 -416.9 2.12 -9.98 0.11 -2
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408253 135081016 1 NO4C10H17 AB4C10D17 -194.51 2.07 -9.06 0.53 -2
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408254 135081017 1 NO4C11H19 AB4C11D19 -192.7 1.93 -8.43 0.21 -2
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408255 135081018 1 NO4C8H13 AB4C8D13 -182.03 2.0 -8.56 0.53 0
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408256 135081019 1 OC7H10 AB7C10 14.63 1.6 -8.92 0.67 0
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408258 135081021 1 FNOC10H18 ABCD10E18 -132.0 5.12 -9.87 0.84 0
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408259 135081022 1 BrOC11H13 ABC11D13 -25.37 2.22 -9.48 -0.41 0
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408260 135081023 1 NS2O4C8H11 AB2C4D8E11 -89.95 5.13 -9.13 -1.41 0
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408261 135081024 1 ZnF8H8N8C32 AB8C8D8E32 10.31 2.2 -7.9 -2.52 0
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408262 135081025 1 MgN8S8H88C136 AB8C8D88E136 877.15 29.35 -7.38 -2.88 0
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408263 135081026 2 N4S4H45C68 A4B4C45D68 750.08 4.92 -7.93 -2.58 0
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408264 135081027 1 BN6O16F36H37C54 AB6C16D36E37F54 -2360.06 8.16 -8.24 -2.93 0
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408265 135081028 1 BO2F3N6H12C26 AB2C3D6E12F26 -87.92 8.28 -7.93 -2.5 0
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408266 135081029 1 ZnO2N8H44C51 AB2C8D44E51 285.0 5.42 -9.29 -1.76 0
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408267 135081031 1 ZnO4N8H42C48 AB4C8D42E48 179.96 11.11 -9.09 -2.3 0
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408268 135081032 4 ON2H11C12 AB2C11D12 153.21 6.39 -7.81 -2.65 0
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408269 135081033 1 OC11H18 AB11C18 -19.51 1.92 -9.97 1.02 0
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408270 135081034 1 FN2C10H15 AB2C10D15 -36.17 1.66 -9.45 -0.25 0
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408271 135081035 1 NO3C13H23 AB3C13D23 -183.2 2.72 -9.76 0.53 0
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408272 135081036 1 ClNPO4C8H17 ABCD4E8F17 -237.36 5.27 -8.82 0.14 0
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408273 135081037 1 O2F3C11H13 A2B3C11D13 -227.95 3.93 -9.44 -0.64 0
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408274 135081038 1 NS2O3C9H11 AB2C3D9E11 -92.37 2.04 -9.3 -1.81 0
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408275 135081039 1 NOC11H13 ABC11D13 40.3 3.9 -9.7 0.48 0
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408276 135081040 1 NOC7H9 ABC7D9 -0.83 4.1 -9.35 0.43 0
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408277 135081041 1 NO2C12H23 AB2C12D23 -120.94 4.08 -9.02 1.35 0
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408278 135081042 1 FC15H15 AB15C15 -11.72 1.39 -9.28 0.25 0
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408279 135081043 1 NSO2C14H29 ABC2D14E29 -120.87 1.99 -8.4 0.82 0
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408280 135081044 1 BrO3C13H15 AB3C13D15 -108.06 2.39 -9.62 -0.42 0
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408281 135081045 1 BrPO3C8H14 ABC3D8E14 -147.17 1.43 -10.62 -0.38 0
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408282 135081046 1 O4C13H14 A4B13C14 -137.31 0.7 -9.55 -1.12 0
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408283 135081047 1 OSe2H6C7 AB2C6D7 3.23 0.79 -8.1 -0.51 0
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408284 135081048 1 NSO2C10H11 ABC2D10E11 -44.41 6.65 -8.18 -0.58 0
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408285 135081049 1 O3C13H16 A3B13C16 -96.67 3.53 -8.78 0.22 0
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408286 135081050 1 NSO3C11H11 ABC3D11E11 -79.43 5.0 -8.83 -0.8 0
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408287 135081051 1 NF3O3C8H12 AB3C3D8E12 -314.36 4.02 -10.34 0.3 0
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408288 135081052 1 NOC11H13 ABC11D13 -13.21 2.67 -9.14 0.42 -1
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408289 135081053 1 NO4C11H14 AB4C11D14 -137.61 1.23 0.0 0.0 0
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408290 135081054 1 SiO2C14H28 AB2C14D28 -147.87 1.88 -9.47 0.34 0
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408291 135081055 1 OC15H22 AB15C22 -2.45 3.31 -9.12 1.08 0
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408292 135081056 1 ClOF3H4C8 ABC3D4E8 -138.33 0.68 -9.63 -0.66 0
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408293 135081057 1 BrO2N3H8C12 AB2C3D8E12 -13.13 7.11 -9.6 -1.13 0
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408294 135081058 1 OC13H16 AB13C16 -23.48 2.98 -9.59 -0.32 0
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408295 135081059 1 OC11H22 AB11C22 -85.02 2.55 -9.59 1.13 0
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408296 135081060 1 FeO3C13H20 AB3C13D20 -61.3 6.93 -7.09 0.93 0
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408297 135081061 2 OC6H9 AB6C9 -78.66 5.49 -9.09 -0.37 0
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408298 135081062 1 BrOF3C10H16 ABC3D10E16 -212.65 3.64 -9.72 -0.81 0
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408299 135081063 1 CuF8H8N8C32 AB8C8D8E32 54.31 3.64 0.0 0.0 0