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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293950 117419929 1 SO2N4C11H14 AB2C4D11E14 -20.7 3.22 -8.69 0.03 0
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293951 117419930 1 SN2O3C12H14 AB2C3D12E14 -27.43 2.65 -8.38 -0.44 0
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293952 117420099 1 N2O3C14H22 A2B3C14D22 -76.06 2.24 -8.57 0.11 0
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293953 117420103 1 N2O3C14H22 A2B3C14D22 -76.07 1.47 -9.03 -0.14 0
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293954 117420104 1 N2O3C14H22 A2B3C14D22 -70.52 2.1 -8.65 0.02 0
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293955 117420108 1 N2O3C14H22 A2B3C14D22 -95.19 3.22 -8.06 0.02 0
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293956 117420110 1 N2O3C14H22 A2B3C14D22 -99.05 5.3 -8.47 0.08 0
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293957 117420127 1 N2O3C14H22 A2B3C14D22 -126.39 6.78 -8.96 0.16 0
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293958 117420166 1 N2O3C14H22 A2B3C14D22 -148.16 1.5 -9.12 -0.19 0
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293959 117420249 1 SO3C14H18 AB3C14D18 -105.91 6.47 -8.51 -0.26 0
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293960 117420251 1 SO3C14H18 AB3C14D18 -94.82 5.25 -10.0 -0.63 0
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293961 117420308 1 SO3C14H18 AB3C14D18 -110.07 3.36 -8.75 -0.29 0
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293962 117420310 1 SO3C14H18 AB3C14D18 -118.91 3.55 -8.56 -0.21 0
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293963 117420318 1 SO3C14H18 AB3C14D18 -75.71 4.88 -8.8 -0.08 0
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293964 117420326 1 SO3C14H18 AB3C14D18 -107.37 3.93 -8.57 -0.17 0
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293965 117420347 1 O3C16H26 A3B16C26 -141.18 2.28 -8.16 0.14 0
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293966 117420348 1 O3C16H26 A3B16C26 -137.22 3.43 -8.65 0.11 0
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293967 117420350 1 OC19H22 AB19C22 -8.33 3.58 -8.99 -0.27 0
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293968 117420359 2 NC9H11 AB9C11 43.92 2.81 -8.71 0.14 0
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293969 117420478 1 ClO2F3H10C11 AB2C3D10E11 -211.15 2.94 -9.48 -1.04 0
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293970 117420480 1 ClO2F3H10C11 AB2C3D10E11 -213.39 2.21 -9.55 -0.96 0
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293971 117420525 1 ClN2O3H11C12 AB2C3D11E12 -64.05 3.57 -9.48 -0.79 0
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293972 117420530 1 ClN2O3H11C12 AB2C3D11E12 -64.31 6.57 -8.7 -1.93 0
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293973 117420536 1 ClN2O3H11C12 AB2C3D11E12 -73.28 6.28 -9.01 -0.83 0
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293974 117420545 1 ClN2O3H11C12 AB2C3D11E12 -70.24 4.87 -9.03 -0.75 0
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293975 117420546 1 ClN2O3H11C12 AB2C3D11E12 -67.18 3.1 -8.65 -1.82 0
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293976 117420558 1 ClN2O3H11C12 AB2C3D11E12 -53.14 4.47 -8.56 -1.85 0
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293977 117420707 1 ClO3C14H15 AB3C14D15 -122.75 2.3 -9.06 -0.48 0
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293978 117420715 1 ClN2O2C13H15 AB2C2D13E15 -61.55 6.57 -8.38 -0.2 0
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293979 117420724 1 ClN2O2C13H15 AB2C2D13E15 -19.52 2.31 -8.79 -0.46 0
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293980 117420741 1 ClN2O2C13H15 AB2C2D13E15 -23.46 4.94 -8.82 -0.44 0
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293981 117420759 1 ClN2O2C13H15 AB2C2D13E15 -46.81 2.05 -8.83 -0.59 0
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293982 117420804 1 ClO2C15H19 AB2C15D19 -65.21 4.63 -9.27 -0.24 0
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293983 117420806 1 ClO2C15H19 AB2C15D19 -102.47 4.52 -8.95 -0.18 0
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293984 117420857 1 ClON2C14H19 ABC2D14E19 -34.05 2.42 -8.78 -0.67 0
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293985 117420870 1 ClON2C14H19 ABC2D14E19 -28.12 2.5 -8.94 -0.21 0
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293986 117421001 1 BrON2C11H11 ABC2D11E11 31.3 2.69 -9.22 -0.24 0
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293987 117421007 1 BrON2C11H11 ABC2D11E11 30.3 2.75 -9.27 -0.31 0
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293988 117421157 1 NF2O3H11C13 AB2C3D11E13 -185.84 5.17 -9.72 -0.74 0
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293989 117421168 1 NF2O3H11C13 AB2C3D11E13 -161.8 4.32 -9.25 -0.76 0
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293990 117421349 1 NO5C13H17 AB5C13D17 -176.46 4.47 -8.79 -0.27 0
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293991 117421351 1 NO5C13H17 AB5C13D17 -176.87 2.5 -8.82 -0.09 0
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293992 117421371 1 NO5C13H17 AB5C13D17 -181.78 8.34 -9.06 -0.15 0
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293993 117421390 1 NO3H13C16 AB3C13D16 -59.66 6.67 -9.5 -1.3 0
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293994 117421431 1 SN3O3C11H13 AB3C3D11E13 -75.24 6.26 -8.81 -0.83 0
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293995 117421433 1 SN3O3C11H13 AB3C3D11E13 -56.3 2.9 -8.7 -1.15 0
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293996 117421501 1 FNO3C14H18 ABC3D14E18 -124.63 5.52 -8.77 -0.29 0
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293997 117421525 1 FNO3C14H18 ABC3D14E18 -167.33 8.79 -9.32 -0.34 0
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293998 117421526 1 FNO3C14H18 ABC3D14E18 -163.71 7.59 -9.24 -0.28 0
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293999 117421546 1 FNO3C14H18 ABC3D14E18 -148.22 7.73 -8.85 -0.23 0