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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227231 87560731 1 N2O2C27H32 A2B2C27D32 -27.08 1.97 -8.47 -0.54 0
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227232 87560732 1 O6C9H10 A6B9C10 -229.24 5.51 -11.32 -1.68 0
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227233 87560739 1 ClO3N4H21C25 AB3C4D21E25 -2.82 2.62 -8.45 -1.13 0
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227234 87560747 1 O2F7H13C14 A2B7C13D14 -415.45 4.49 -10.11 -1.0 0
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227235 87560749 1 O3C17H34 A3B17C34 -138.09 3.39 -10.26 -0.25 0
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227236 87560758 1 ClFO4N5C30H33 ABC4D5E30F33 -108.7 3.52 -8.95 -1.21 0
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227237 87560765 1 BrClNO4H9C11 ABCD4E9F11 -112.95 9.58 -10.24 -1.63 0
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227238 87560766 1 ClFSO2N4C22H24 ABCD2E4F22G24 -62.11 3.05 -9.12 -0.95 0
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227239 87560769 1 NO2H21C28 AB2C21D28 51.03 3.66 -9.38 -1.22 0
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227240 87560778 1 S2N7O9C23H23 A2B7C9D23E23 -120.26 8.5 -9.43 -2.24 0
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227241 87560782 1 SN2F4O5H12C14 AB2C4D5E12F14 -330.14 3.21 -9.67 -2.1 -1
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227242 87560787 1 ClN3S4O10H13C17 AB3C4D10E13F17 -228.26 6.95 0.0 0.0 0
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227243 87560789 1 ClOF3N4C14H14 ABC3D4E14F14 -99.83 3.45 -9.51 -1.31 0
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227244 87560800 1 ClF2S2N8O8C44H49 AB2C2D8E8F44G49 -277.93 8.68 -9.68 -1.62 0
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227245 87560805 1 N2O3C6H6 A2B3C6D6 -78.04 3.52 -10.45 -0.63 0
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227246 87560831 2 NOC5H7 ABC5D7 -26.5 3.71 -9.2 -0.17 0
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227247 87560835 1 Cl2O3N4C9H22 A2B3C4D9E22 -178.78 6.08 -9.92 0.15 0
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227248 87560844 1 NO2C8H13 AB2C8D13 -66.69 3.13 -9.11 0.04 0
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227249 87560846 1 IO5C31H37 AB5C31D37 -175.34 3.14 -9.52 -0.76 0
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227250 87560855 1 N2Si4O9C32H56 A2B4C9D32E56 -504.23 16.57 -9.26 -0.89 1
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227251 87560865 1 ClSO2N3H15C18 ABC2D3E15F18 -8.98 8.23 0.0 0.0 0
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227252 87560866 1 ClSO2N3H16C18 ABC2D3E16F18 -7.16 10.01 -8.84 -0.68 0
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227253 87560875 1 BrSiC17H25 ABC17D25 7.93 2.22 -9.17 -0.2 0
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227254 87560890 2 NH2O3C5 AB2C3D5 -79.23 5.75 -10.33 -1.96 2
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227255 87560892 1 N2O4C27H56 A2B4C27D56 -283.63 5.66 -8.24 0.6 0