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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162050 57393445 1 ClFNO2C19H23 ABCD2E19F23 -116.42 3.52 -8.92 -0.16 0
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162051 57393448 1 NO2C15H21 AB2C15D21 -76.24 3.4 -9.01 0.09 0
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162052 57393453 2 O2N3C16H23 A2B3C16D23 -130.57 5.95 -8.76 -1.84 0
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162053 57393454 1 ClN2O3H13C14 AB2C3D13E14 -82.4 5.41 -9.1 -0.85 0
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162054 57393457 1 ClO2N3C22H26 AB2C3D22E26 -36.52 1.73 -9.35 -0.67 0
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162055 57393460 1 Cl2N3O3C20H21 A2B3C3D20E21 -73.71 3.79 -9.73 -0.76 0
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162056 57393464 1 O2N5H25C27 A2B5C25D27 14.48 3.27 -9.13 -0.87 0
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162057 57393469 1 FNO11C40H60 ABC11D40E60 -525.78 6.76 -9.36 -0.06 0
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162058 57393470 1 N3O6C33H49 A3B6C33D49 -253.44 7.6 -8.84 -0.33 0
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162059 57393478 1 NCl2O2H13C14 AB2C2D13E14 -43.44 2.51 -9.08 -0.54 0
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162060 57393482 2 O3H12C14 A3B12C14 -147.85 7.39 -9.41 -0.69 0
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162062 57393488 1 BrNO5C25H26 ABC5D25E26 -63.81 6.39 -8.62 -1.45 0
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162063 57393489 1 N2O5H16C20 A2B5C16D20 19.66 6.81 -10.43 -1.62 0
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162064 57393494 1 O2N3C18H19 A2B3C18D19 -23.19 2.71 -8.83 -0.46 0
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162066 57393499 1 NO2C20H30 AB2C20D30 -61.92 2.19 0.0 0.0 0
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162067 57393504 1 SN3O5H17C20 AB3C5D17E20 -104.43 6.69 -8.13 -1.26 0
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162068 57393508 1 SN2O2C21H38 AB2C2D21E38 -97.06 2.58 -8.45 -0.68 1
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162069 57393511 1 SN2O2C21H39 AB2C2D21E39 -66.77 3.5 0.0 0.0 1
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162070 57393513 1 SN2O4C20H37 AB2C4D20E37 -143.65 5.25 0.0 0.0 0
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162073 57393522 1 ClNO3H16C23 ABC3D16E23 -43.04 5.1 -9.09 -1.33 0
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162074 57393524 1 SO2N4C32H34 AB2C4D32E34 14.28 5.99 -8.89 -0.63 0
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162075 57393525 1 ClN2O2F6H23C24 AB2C2D6E23F24 -363.42 2.9 -8.85 -1.5 0
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162076 57393529 1 ClN4O5C36H43 AB4C5D36E43 -99.97 7.49 -8.94 -0.42 0
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162077 57393531 1 SF3N3O4C26H32 AB3C3D4E26F32 -309.76 5.84 -8.92 -1.02 0
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162078 57393533 1 SN2Cl3O6H23C25 AB2C3D6E23F25 -207.36 4.03 -9.38 -1.3 0