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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174488 75772227 1 ClON3C20H24 ABC3D20E24 -7.95 4.13 -8.83 -0.59 1
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174489 75772228 1 ON3C15H24 AB3C15D24 -11.93 4.74 0.0 0.0 0
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174490 75772229 1 ON3C15H23 AB3C15D23 -35.06 4.43 -8.94 0.02 0
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174491 75772645 2 ON2C11H12 AB2C11D12 -25.01 5.6 -9.67 -0.58 0
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174492 75772709 1 FO2N3C22H26 AB2C3D22E26 -101.2 5.7 -8.97 -0.19 0
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174493 75772710 1 F2O2N3C22H25 A2B2C3D22E25 -145.9 6.97 -8.95 -0.29 0
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174494 75772921 1 ClFO2N3H23C25 ABC2D3E23F25 -71.18 3.75 -9.11 -0.59 0
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174495 75772982 1 N3O4C28H31 A3B4C28D31 -93.48 6.48 -8.38 -0.14 0
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174496 75773075 1 ClN3O3C23H26 AB3C3D23E26 -93.99 2.25 -8.34 -0.8 0
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174497 75773263 1 O2N5C27H33 A2B5C27D33 -24.55 3.17 -8.32 -0.75 0
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174498 75773507 1 O3N4C25H30 A3B4C25D30 -75.82 4.01 -8.36 -0.73 0
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174499 75773713 1 SO2N5C22H23 AB2C5D22E23 50.39 2.02 -8.46 -1.02 0
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174500 75774089 2 N2C9H9 A2B9C9 83.33 2.39 -8.99 -0.4 0
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174501 75774623 1 ON4C25H28 AB4C25D28 19.2 3.97 -8.87 -0.38 0
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174502 75774959 1 FON4C26H29 ABC4D26E29 -48.33 3.87 -8.78 -0.2 0
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174503 75775095 1 N3O4H13C14 A3B4C13D14 -72.67 6.51 -10.2 -0.76 1
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174504 75775241 1 FO3N6C27H38 AB3C6D27E38 -104.84 0.74 0.0 0.0 0
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174505 75775368 1 FO4N6C27H39 AB4C6D27E39 -150.15 5.3 -8.47 -0.7 0
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174506 75775369 1 FO3N6C27H39 AB3C6D27E39 -114.89 5.06 -8.56 -0.77 0
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174507 75775557 1 FO2N4C20H23 AB2C4D20E23 0.33 3.92 -8.24 -0.5 0
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174508 75775558 1 FO2N4C22H23 AB2C4D22E23 -15.09 3.02 -8.46 -0.97 0
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174509 75775692 1 FO4N5C26H28 AB4C5D26E28 -99.26 3.07 -8.78 -1.4 0
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174510 75775693 1 FO4N5C27H30 AB4C5D27E30 -108.76 7.67 -8.22 -1.18 0
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174511 75775694 1 FO4N5C27H30 AB4C5D27E30 -103.69 8.79 -8.05 -1.2 0
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174512 75775695 1 FO3N6C25H27 AB3C6D25E27 -60.56 6.3 -8.7 -1.38 0
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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