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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133086 51474862 1 NSO6H23C24 ABC6D23E24 -183.67 6.69 -8.92 -1.18 0
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133087 51474863 1 NSO6H23C24 ABC6D23E24 -181.4 3.42 -8.88 -0.93 0
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133088 51474864 1 SN2O7C18H18 AB2C7D18E18 -177.76 8.25 -9.78 -1.54 0
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133089 51474865 1 SN2O7C18H18 AB2C7D18E18 -179.52 8.91 -9.67 -1.46 0
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133090 51474866 1 ClNSO5H22C24 ABCD5E22F24 -159.19 4.18 -8.93 -0.97 0
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133091 51474920 1 SO4N5C24H25 AB4C5D24E25 -74.17 9.91 -8.7 -0.76 0
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133092 51474921 1 SO3N5H25C26 AB3C5D25E26 -7.44 5.99 -8.56 -0.92 0
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133093 51474922 1 SO3N5H25C26 AB3C5D25E26 -8.53 5.98 -8.44 -0.88 0
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133094 51474923 1 SO3N5C19H19 AB3C5D19E19 31.31 11.49 -9.24 -1.11 1
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133095 51476795 1 O2N7C19H30 A2B7C19D30 -20.1 15.18 0.0 0.0 0
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133096 51476828 1 SN3O6C20H21 AB3C6D20E21 -183.52 2.96 -8.76 -1.14 1
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133097 51477242 1 NO2C13H28 AB2C13D28 -111.82 3.15 0.0 0.0 0
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133098 51477392 1 N3O4C22H27 A3B4C22D27 -167.21 2.73 -8.75 -0.01 0
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133099 51477393 1 NOSC18H21 ABCD18E21 -16.61 3.96 -8.97 -0.21 0
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133100 51477394 1 SN3O3C26H27 AB3C3D26E27 -63.3 6.1 -9.22 -0.34 0
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133101 51477395 1 SN3O3C26H27 AB3C3D26E27 -60.5 2.49 -9.22 -0.37 0
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133102 51477396 1 SN3O3C26H27 AB3C3D26E27 -61.49 6.75 -9.08 -0.35 0
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133103 51477397 1 SN3O3C26H27 AB3C3D26E27 -59.78 1.72 -9.09 -0.28 0
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133104 51477398 1 NOSC18H21 ABCD18E21 -19.15 2.43 -8.85 -0.08 0
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133105 51477652 1 ClFSN2O4H18C19 ABCD2E4F18G19 -186.48 6.29 -9.01 -0.93 0
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133106 51477700 1 O4N5C27H33 A4B5C27D33 -133.78 6.9 -9.0 -0.86 0
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133107 51477773 1 O2S2N3C19H25 A2B2C3D19E25 -48.22 5.68 -8.84 -1.04 0
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133108 51477774 1 S2O3N4C14H16 A2B3C4D14E16 -77.89 3.12 -9.11 -1.27 0
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133109 51477859 1 SF2N2O2C16H18 AB2C2D2E16F18 -120.64 5.14 -9.06 -0.89 1
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133110 51477860 1 SF2N2O2C16H19 AB2C2D2E16F19 -112.48 3.3 0.0 0.0 0