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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138363 52355163 2 NO3C11H15 AB3C11D15 -239.72 5.26 -9.08 -1.2 0
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138364 52355331 1 SO2N6C16H22 AB2C6D16E22 14.17 7.56 -8.01 -0.74 1
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138365 52355412 1 OF2N2C21H25 AB2C2D21E25 -85.64 4.13 0.0 0.0 0
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138366 52356474 1 FN3O5C19H20 AB3C5D19E20 -185.82 1.47 -8.6 -0.7 2
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138367 52356833 1 ClFOSN3C18H23 ABCDE3F18G23 -41.87 4.84 -8.24 -0.75 0
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138368 52356859 1 FN2O4C21H25 AB2C4D21E25 -171.0 6.42 -8.55 -0.14 0
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138369 52356860 1 FN2O4C21H25 AB2C4D21E25 -171.65 6.18 -8.49 -0.23 0
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138370 52356947 2 NO2C11H14 AB2C11D14 -131.83 6.76 -8.51 -0.25 0
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138371 52356960 1 FNO4C20H24 ABC4D20E24 -164.07 6.55 -8.51 -0.1 0
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138372 52356973 2 NO2C11H14 AB2C11D14 -120.03 6.06 -8.3 0.01 0
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138373 52357094 1 NSO3C20H23 ABC3D20E23 -82.64 7.11 -9.57 -0.59 0
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138374 52357187 1 N2O4C21H24 A2B4C21D24 -126.18 4.38 -8.36 -0.11 0
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138375 52357223 1 ClOSN5C16H16 ABCD5E16F16 101.67 6.05 -9.29 -0.94 1
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138376 52357484 1 NO2C5H14 AB2C5D14 -75.47 4.01 0.0 0.0 0
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138377 52357728 1 NS2O4H19C21 AB2C4D19E21 -92.67 5.42 -9.15 -1.2 0
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138378 52357751 1 SO2N6C17H24 AB2C6D17E24 5.03 5.44 -8.97 -0.66 1
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138379 52357752 1 ClOSN6C16H20 ABCD6E16F20 103.35 7.92 0.0 0.0 1
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138380 52357830 1 FN2O2C20H30 AB2C2D20E30 -117.99 4.99 0.0 0.0 0
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138381 52357838 1 ON3S3C19H19 AB3C3D19E19 56.82 5.48 -8.62 -0.99 0
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138382 52357839 1 ON3S3C19H19 AB3C3D19E19 54.66 4.17 -8.57 -0.95 1
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138383 52357840 1 N2O2C17H25 A2B2C17D25 -34.54 4.76 0.0 0.0 0
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138384 52357841 1 N2O2C17H24 A2B2C17D24 -55.22 4.41 -9.34 0.12 0
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138385 52357866 2 NOC9H12 ABC9D12 -22.6 3.83 -8.66 0.27 1
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138386 52358090 1 N2O3C19H29 A2B3C19D29 -94.31 4.28 0.0 0.0 0
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138387 52358345 1 OSN3C15H25 ABC3D15E25 -42.37 3.16 -8.77 -0.26 0