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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167531 74844164 2 NO2C12H12 AB2C12D12 -56.31 1.32 -8.82 -0.66 1
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167532 74844225 1 O4N5C23H28 A4B5C23D28 -47.03 6.29 0.0 0.0 1
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167533 74844226 1 ClO2N5C25H31 AB2C5D25E31 0.39 3.65 0.0 0.0 0
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167534 74844252 1 O3N4C20H22 A3B4C20D22 -79.14 3.06 -8.98 -0.53 1
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167535 74844290 1 NS2O4C16H24 AB2C4D16E24 -142.12 6.12 0.0 0.0 1
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167536 74844506 1 S2N3O5C23H32 A2B3C5D23E32 -167.16 7.81 0.0 0.0 1
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167537 74844507 1 S2N3O6C19H26 A2B3C6D19E26 -186.28 6.93 0.0 0.0 1
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167538 74844508 1 ON4C26H31 AB4C26D31 69.56 17.13 0.0 0.0 0
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167539 74844509 1 ON4C26H30 AB4C26D30 49.41 4.61 -8.66 -1.16 1
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167540 74844510 1 O2N3C26H34 A2B3C26D34 -8.46 5.79 0.0 0.0 0
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167541 74844702 1 ClO3N5C23H30 AB3C5D23E30 -70.6 7.19 -9.46 -0.52 1
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167542 74844856 1 SN2O5C17H21 AB2C5D17E21 -108.08 8.63 0.0 0.0 1
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167543 74845045 1 NS2O4C19H24 AB2C4D19E24 -108.41 6.21 0.0 0.0 1
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167544 74845046 1 FN2O2C19H30 AB2C2D19E30 -124.7 4.88 0.0 0.0 1
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167545 74845047 1 ON6C21H33 AB6C21D33 23.44 5.04 0.0 0.0 1
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167546 74845048 1 NS2O4C20H26 AB2C4D20E26 -118.77 6.31 0.0 0.0 1
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167547 74845049 1 NS2O5C20H26 AB2C5D20E26 -147.81 7.42 0.0 0.0 0
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167548 74845151 1 SN2O3C22H26 AB2C3D22E26 -82.16 2.56 -9.14 -0.06 1
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167549 74845152 1 SN2O5C22H27 AB2C5D22E27 -126.15 3.47 0.0 0.0 0
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167550 74845169 1 SN2O4C19H22 AB2C4D19E22 -115.04 2.28 -9.21 0.0 1
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167551 74845170 1 FSN2O3C21H24 ABC2D3E21F24 -110.76 3.39 0.0 0.0 0
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167552 74845178 1 SN2O5C22H24 AB2C5D22E24 -146.36 2.38 -8.94 -0.33 1
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167553 74845206 1 O2N3C24H38 A2B3C24D38 -83.87 4.43 0.0 0.0 0
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167554 74845511 1 N2O3C25H28 A2B3C25D28 -75.6 3.5 -9.3 -0.61 0
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167555 74845512 1 N2O3C25H28 A2B3C25D28 -75.84 6.06 -9.17 -0.42 0