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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178211 76295406 1 ClO2N4C23H27 AB2C4D23E27 -55.77 4.87 -9.27 -0.43 0
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178212 76295407 1 N2O3C21H22 A2B3C21D22 -43.5 4.81 -8.82 -0.86 0
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178213 76295682 1 O3N5C26H27 A3B5C26D27 -27.24 0.64 -8.55 -1.03 0
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178214 76295886 1 ClSO2N4C25H27 ABC2D4E25F27 -4.2 3.02 -9.2 -0.62 0
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178215 76296169 1 SN3O4C27H29 AB3C4D27E29 -70.3 6.67 -8.98 -0.83 0
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178216 76297612 1 SN4O4C26H34 AB4C4D26E34 -106.71 9.21 -8.8 -1.32 0
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178217 76297613 1 SN3O7C23H27 AB3C7D23E27 -204.22 11.53 -8.49 -1.44 0
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178218 76297614 1 SN3O6C22H27 AB3C6D22E27 -198.61 9.4 -8.74 -0.45 0
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178219 76297782 1 SN4O4C21H24 AB4C4D21E24 -106.82 3.15 -8.93 -1.13 0
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178220 76297783 1 SF3O3N4C23H25 AB3C3D4E23F25 -219.9 6.32 -8.98 -1.43 0
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178221 76297823 1 SO4N5C23H29 AB4C5D23E29 -149.47 6.73 -8.69 -0.73 0
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178222 76298054 1 SO3N4C22H30 AB3C4D22E30 -110.6 2.75 -8.4 0.12 0
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178223 76298251 1 BrSO3N5C17H18 ABC3D5E17F18 -31.37 1.52 -9.09 -1.34 0
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178224 76298252 1 S2N5O5C21H29 A2B5C5D21E29 -177.73 7.64 -8.44 -0.66 0
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178225 76298267 1 FSO3N4C23H25 ABC3D4E23F25 -92.4 3.36 -8.62 -1.24 0
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178226 76298457 1 N2O2S3H12C18 A2B2C3D12E18 49.83 6.16 -8.25 -1.92 0
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178227 76298458 1 BrO3N4C17H17 AB3C4D17E17 -57.67 7.39 -9.41 -1.06 0
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178228 76298459 1 FBr2N2O2C13H13 AB2C2D2E13F13 -114.45 2.45 -9.94 -0.82 0
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178229 76298494 1 BrN3O3C18H18 AB3C3D18E18 -67.64 4.69 -9.56 -0.82 0
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178230 76298641 1 BrS2N3O4H10C12 AB2C3D4E10F12 -32.65 7.98 -9.55 -2.31 0
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178231 76298642 1 BrSN3O3H12C17 ABC3D3E12F17 21.62 6.09 -9.55 -2.18 0
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178232 76298643 1 BrF2N3O5H12C16 AB2C3D5E12F16 -188.69 0.68 -9.33 -2.42 0
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178233 76298691 1 BrFN4O4C17H18 ABC4D4E17F18 -194.94 6.55 -10.08 -0.72 1
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178234 76298864 1 BrO4N6H12C14 AB4C6D12E14 1.05 15.99 0.0 0.0 0
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178235 76299066 2 O2N3C12H14 A2B3C12D14 -40.65 4.22 -9.52 -0.89 0
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178236 76299199 1 BrN4O4H17C19 AB4C4D17E19 -49.67 5.5 -9.66 -1.61 0
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178237 76300319 1 O2N3C23H31 A2B3C23D31 -48.09 7.9 -8.69 0.05 0
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178238 76300608 1 S2N4O5C19H22 A2B4C5D19E22 -138.33 10.06 -8.32 -1.43 0
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178239 76301496 1 S2N4O5C21H30 A2B4C5D21E30 -206.64 7.2 -8.78 -0.49 0
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178240 76302360 2 N2O2C9H16 A2B2C9D16 -183.42 7.42 -9.67 0.08 0
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178241 76302570 1 SN2O2H20C23 AB2C2D20E23 35.01 4.92 -9.05 -1.03 0
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178242 76303054 1 O3N5C26H35 A3B5C26D35 -33.46 6.99 -8.62 -0.11 0
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178243 76303384 1 SN2O7C21H30 AB2C7D21E30 -269.75 7.24 -9.24 -1.19 0
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178244 76303385 1 SN2O7C17H24 AB2C7D17E24 -248.99 9.41 -9.12 -1.14 0
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178245 76303386 1 SN4O6C23H26 AB4C6D23E26 -132.2 6.57 -8.87 -1.19 0
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178246 76303441 1 NSO7C23H25 ABC7D23E25 -196.11 8.89 -8.91 -1.14 0
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178247 76303442 1 NSO7C22H27 ABC7D22E27 -228.28 2.4 -8.87 -0.94 0
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178248 76303443 1 ClSO3N4C22H29 ABC3D4E22F29 -103.22 2.58 -8.53 -0.49 0
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178249 76303665 1 SO4N5C21H27 AB4C5D21E27 -117.03 9.66 -9.09 -0.79 0
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178250 76303850 1 ClO2N5C21H22 AB2C5D21E22 8.93 2.17 -8.76 -1.56 0
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178251 76304758 1 SN4O5C19H28 AB4C5D19E28 -210.43 10.07 -8.98 -0.33 0
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178252 76304877 1 O2S2N5C20H25 A2B2C5D20E25 -9.24 7.71 -8.78 -1.75 0
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178253 76304878 1 O4N5C26H39 A4B5C26D39 -170.62 8.32 -8.57 0.07 0
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178254 76304879 1 SN3O3C27H31 AB3C3D27E31 -33.49 6.34 -8.64 -0.57 0
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178255 76305162 1 SO2N4C25H32 AB2C4D25E32 -17.12 4.59 -8.91 -1.75 0
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178256 76305550 1 N2O5C20H22 A2B5C20D22 -162.1 1.99 -8.71 0.02 0
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178257 76305620 1 BrNOSC16H18 ABCDE16F18 34.07 3.87 -9.39 -1.08 0
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178258 76305703 1 OF3N3H20C21 AB3C3D20E21 -126.96 3.39 -8.91 -1.02 0
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178259 76306263 1 O2N3C23H29 A2B3C23D29 -66.97 4.44 -8.5 0.05 0
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178260 76306334 2 NO2C12H17 AB2C12D17 -161.94 5.4 -8.4 -0.44 0