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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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188307 77696580 1 ClN3O3C14H16 AB3C3D14E16 -71.28 9.13 -9.24 -2.13 0
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188308 77696780 1 BrNNaH3O4C10 ABCD3E4F10 -126.3 10.76 -9.64 -3.02 0
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188309 77696910 1 N2O3C16H20 A2B3C16D20 -109.48 6.62 -9.63 0.04 0
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188310 77696911 1 ON4C25H36 AB4C25D36 -21.54 3.66 -8.48 -0.19 0
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188311 77697098 1 NSO2C23H37 ABC2D23E37 -77.82 1.21 -8.56 0.4 0
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188312 77697430 1 NO3C26H37 AB3C26D37 -135.29 5.2 -9.09 0.11 0
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188313 77697757 1 N2F3O4C19H19 A2B3C4D19E19 -269.26 7.12 -9.35 -0.86 0
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188314 77698480 1 FO3N7C25H26 AB3C7D25E26 -64.93 2.53 -8.82 -0.47 0
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188315 77698725 1 OF2N2C16H28 AB2C2D16E28 -168.02 1.86 -8.82 0.63 0
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188316 77699600 1 SO6N10C46H58 AB6C10D46E58 -200.79 2.15 -8.44 -0.39 0
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188317 77699601 1 S2N4O8C35H38 A2B4C8D35E38 -234.5 4.86 -8.55 -0.77 0
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188318 77699602 1 S2N4O8C35H38 A2B4C8D35E38 -229.98 4.92 -8.78 -0.39 0
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188319 77699876 1 ClSO2N6C23H27 ABC2D6E23F27 -22.96 5.28 -8.67 -0.74 0
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188320 77699966 1 O2N3C17H17 A2B3C17D17 14.17 11.52 -8.89 -1.04 0
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188321 77699967 1 NC8H9 AB8C9 119.22 1.0 -8.69 0.03 0
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188322 77699968 1 ClSF2N3O4H16C20 ABC2D3E4F16G20 -152.07 4.16 -8.87 -1.29 0
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188324 77700089 1 BrN2O2S2C27H30 AB2C2D2E27F30 19.57 1.68 0.0 0.0 1
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188325 77700109 1 BrSN2O2C23H28 ABC2D2E23F28 14.31 1.66 0.0 0.0 0
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188326 77700160 1 O2N4C31H36 A2B4C31D36 -11.51 1.18 -8.9 -0.94 0
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188327 77700310 1 ClF2O2N6H15C16 AB2C2D6E15F16 -87.62 2.16 -9.45 -1.17 0
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188328 77700544 1 SO4C18H18 AB4C18D18 -118.64 2.85 -10.08 -0.98 0
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188329 77700620 1 SN2F3O6C21H35 AB2C3D6E21F35 -441.04 6.18 -9.55 -0.66 0
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188330 77700621 1 SN2O3C11H20 AB2C3D11E20 -117.69 2.83 -9.16 -0.35 0
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188331 77700622 1 SF2N2O7C32H42 AB2C2D7E32F42 -368.48 2.98 -8.75 -0.29 0
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188332 77700623 1 SN2O5C13H24 AB2C5D13E24 -219.69 6.04 -9.42 -0.49 0