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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38053 8026655 1 SN3O4C20H21 AB3C4D20E21 -86.4 2.84 -8.84 -1.36 0
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38054 8026668 1 SN3O4H17C20 AB3C4D17E20 -46.76 12.26 -9.8 -1.35 0
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38055 8026676 1 NO4C23H29 AB4C23D29 -146.42 5.69 -8.7 0.03 1
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38056 8026677 1 O3N5C23H28 A3B5C23D28 -56.81 10.39 0.0 0.0 0
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38057 8026678 1 O3N5C23H27 A3B5C23D27 -74.55 8.97 -9.19 -0.57 0
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38058 8026714 1 Br2N2O2C15H16 A2B2C2D15E16 -61.13 2.14 -9.36 -0.57 0
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38059 8026716 1 ClN2O5C20H21 AB2C5D20E21 -154.72 6.46 -9.21 -1.42 0
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38060 8026718 2 NO2C11H12 AB2C11D12 -102.95 8.97 -8.87 -1.3 0
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38061 8026722 1 NO5H17C20 AB5C17D20 -130.39 1.22 -8.97 -1.01 0
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38062 8026728 1 OSN6C11H12 ABC6D11E12 78.14 7.04 -9.02 -1.06 0
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38063 8026731 1 NSO3C21H23 ABC3D21E23 -91.75 4.48 -8.54 -0.14 0
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38064 8026732 1 NSO3C21H23 ABC3D21E23 -92.31 5.8 -8.5 -0.12 0
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38065 8026736 1 S2O3N4C19H26 A2B3C4D19E26 -101.51 8.74 -8.78 -0.86 0
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38066 8026737 1 S2O3N4C19H26 A2B3C4D19E26 -101.92 8.63 -9.07 -1.14 0
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38067 8026745 1 ClFON2H14C19 ABCD2E14F19 -6.27 2.11 -9.24 -1.2 0
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38068 8026749 1 BrO2N3H12C16 AB2C3D12E16 -6.96 2.95 -9.24 -1.45 1
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38069 8026753 1 SF2N2O3C17H21 AB2C2D3E17F21 -160.97 6.7 0.0 0.0 0
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38070 8026765 1 NSO3C18H21 ABC3D18E21 -80.24 1.97 -8.82 -0.17 0
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38071 8026766 1 SN3O5C19H19 AB3C5D19E19 -168.93 6.05 -9.23 -0.74 0
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38072 8026775 1 SN4O4C19H20 AB4C4D19E20 -117.19 9.25 -9.45 -0.74 1
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38073 8026794 1 BrFN2C13H17 ABC2D13E17 5.87 5.21 0.0 0.0 1
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38074 8026808 1 SO3N4C19H23 AB3C4D19E23 -30.11 7.33 0.0 0.0 0
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38075 8026817 1 SO2N4H18C21 AB2C4D18E21 72.57 5.58 -8.46 -0.99 0
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38076 8026822 1 OS2N6H18C19 AB2C6D18E19 75.95 4.09 -8.52 -1.14 0
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38077 8026824 1 SO2N3H17C18 AB2C3D17E18 -6.61 6.98 -9.16 -0.75 0
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38078 8026825 1 SO2N3H17C18 AB2C3D17E18 -11.87 3.44 -9.26 -0.84 0
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38079 8026827 1 O2N3C14H17 A2B3C14D17 -58.44 2.54 -9.33 -0.91 0
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38080 8026839 1 OF3N5H18C21 AB3C5D18E21 -89.56 5.64 -9.28 -0.47 0
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38081 8026841 1 OS2N5H13C16 AB2C5D13E16 75.18 6.21 -8.91 -1.29 0
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38082 8026856 1 FN4O4H11C15 AB4C4D11E15 -143.71 9.2 -9.16 -1.31 0
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38083 8026871 1 O3N4H20C22 A3B4C20D22 -58.48 4.18 -9.27 -1.42 0
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38084 8026891 1 N4O5C19H22 A4B5C19D22 -180.61 2.17 -9.82 -1.52 0
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38085 8026893 1 N4O6H16C19 A4B6C16D19 -96.66 5.56 -9.71 -1.49 0
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38086 8026894 1 ClFN3O4H11C17 ABC3D4E11F17 -133.81 2.96 -9.37 -1.48 0
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38087 8026915 1 OSN3H13C14 ABC3D13E14 27.85 2.66 -8.77 -0.42 0
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38088 8026919 1 N3S3H11C15 A3B3C11D15 118.2 2.65 -8.62 -1.25 0
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38089 8026938 1 ClSN4O4C15H17 ABC4D4E15F17 -104.69 4.51 -9.33 -1.58 0
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38090 8026940 1 ClN2O3H13C17 AB2C3D13E17 -39.96 5.39 -9.55 -1.05 0
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38091 8026946 1 SN3O3C18H23 AB3C3D18E23 -94.0 6.27 -8.85 -0.51 0
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38092 8026948 1 OS2N4C14H14 AB2C4D14E14 42.76 5.65 -8.48 -0.68 0
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38093 8026954 1 F2O2N4C21H22 A2B2C4D21E22 -117.41 5.56 -9.42 -0.84 0
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38094 8026958 1 NO7C22H25 AB7C22D25 -225.26 9.77 -8.65 -0.82 1
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38095 8026959 1 ClON3H19C21 ABC3D19E21 44.61 8.22 0.0 0.0 1
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38096 8026961 1 ClON3H19C21 ABC3D19E21 45.75 5.92 0.0 0.0 0
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38097 8026968 1 ClO3N4C20H21 AB3C4D20E21 -69.08 7.17 -9.01 -1.04 0
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38098 8027001 1 N3O4C15H19 A3B4C15D19 -111.96 0.83 -9.29 -0.78 0
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38099 8027016 1 SO3N5C16H17 AB3C5D16E17 -82.71 11.27 -8.34 -1.1 0
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38100 8027022 1 SO2N4C18H28 AB2C4D18E28 -57.06 8.19 -9.06 -0.4 0
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38101 8027024 1 O3N4C21H24 A3B4C21D24 -67.41 10.01 -8.82 -0.3 0
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38102 8027028 2 ON2H8C11 AB2C8D11 62.23 3.86 -9.14 -1.18 1