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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174513 75775696 1 FO2N5C25H28 AB2C5D25E28 -13.89 7.36 -8.48 -1.36 0
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174514 75775697 1 FO2N5H28C30 AB2C5D28E30 30.46 3.28 -8.77 -1.42 0
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174515 75775698 1 FO3N5C23H24 AB3C5D23E24 -46.48 1.43 -8.85 -1.44 0
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174516 75775699 1 FSO2N5C23H24 ABC2D5E23F24 -7.95 1.36 -8.86 -1.45 0
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174517 75776137 1 FN4O4C18H21 AB4C4D18E21 -137.41 2.79 -8.51 -0.72 0
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174518 75776346 1 FO3N4C27H33 AB3C4D27E33 -91.34 6.17 -8.4 -0.62 0
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174519 75776347 1 FN4O4C26H31 AB4C4D26E31 -120.83 7.63 -8.33 -0.59 0
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174520 75776376 1 FO2N4C26H31 AB2C4D26E31 -54.71 4.06 -8.77 -0.85 0
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174521 75776704 1 FO2N4C24H27 AB2C4D24E27 -34.69 5.44 -8.86 -1.16 0
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174522 75777441 1 O2F4N4H22C27 A2B4C4D22E27 -134.7 4.41 -8.53 -1.2 0
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174523 75777788 1 FO2N4C25H37 AB2C4D25E37 -99.56 4.44 -8.34 -0.6 0
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174524 75778094 1 O2N4C21H28 A2B4C21D28 -36.07 6.55 -8.27 -0.28 0
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174525 75778241 1 FO2N4C21H27 AB2C4D21E27 -65.38 6.24 -9.16 -0.8 0
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174526 75778333 1 FO2N4C21H29 AB2C4D21E29 -81.8 3.81 -9.24 -0.27 1
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174527 75778676 1 O2N5C20H28 A2B5C20D28 14.17 4.27 0.0 0.0 1
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174528 75779449 1 O2N3C26H34 A2B3C26D34 -13.96 2.02 0.0 0.0 0
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174529 75779573 1 FN3O3C25H26 AB3C3D25E26 -75.17 3.22 -8.81 -0.69 0
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174530 75779574 1 N3O3C26H29 A3B3C26D29 -36.88 2.41 -8.76 -0.29 0
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174531 75779575 1 N3O3C27H31 A3B3C27D31 -46.86 5.58 -8.79 -0.22 0
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174532 75779725 1 BrSN3O3C23H24 ABC3D3E23F24 -18.97 4.27 -8.63 -0.92 0
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174533 75779726 1 BrN3O3C25H26 AB3C3D25E26 -23.29 4.01 -8.61 -0.82 0
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174534 75779727 1 BrN3O4C26H28 AB3C4D26E28 -64.34 5.51 -8.7 -0.89 0
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174535 75779728 1 BrN3O3C25H28 AB3C3D25E28 -47.84 4.32 -8.66 -0.76 1
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174536 75779764 1 N3O4C25H36 A3B4C25D36 -114.14 7.65 0.0 0.0 1
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174537 75780240 1 ClOSN4C22H32 ABCD4E22F32 -11.21 3.58 0.0 0.0 1