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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178507 76339791 1 S2N3O5C15H15 A2B3C5D15E15 -142.93 3.84 -8.95 -1.29 0
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178508 76339827 1 SO2N4C27H34 AB2C4D27E34 -23.23 2.59 -8.85 -1.78 0
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178509 76339975 1 S2O3N4H12C15 A2B3C4D12E15 -10.47 2.76 -8.75 -2.11 1
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178510 76340064 1 SN4O5H19C23 AB4C5D19E23 -75.37 5.33 0.0 0.0 0
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178511 76340065 1 O5N6H22C24 A5B6C22D24 -83.21 5.62 -8.4 -1.54 0
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178512 76340066 1 SN2O3H20C22 AB2C3D20E22 -36.29 6.02 -8.82 -0.77 0
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178513 76340067 1 SN3O4C27H29 AB3C4D27E29 -85.15 8.77 -7.82 -1.12 0
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178514 76340068 1 BrO2N3C18H20 AB2C3D18E20 -8.28 2.31 -9.08 -0.42 1
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178515 76340561 1 O3N6H15C19 A3B6C15D19 21.0 3.65 0.0 0.0 0
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178516 76340845 1 ClO4N6H17C20 AB4C6D17E20 -27.28 3.85 -9.17 -2.67 0
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178517 76341221 1 F2O2N5C19H19 A2B2C5D19E19 -35.69 6.12 -9.3 -1.51 0
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178518 76341390 1 FSO3N4H19C20 ABC3D4E19F20 -85.01 3.56 -9.15 -2.11 0
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178519 76341391 1 ClN3O3C23H26 AB3C3D23E26 -71.09 4.64 -8.28 -0.84 0
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178520 76341392 1 O3N4C26H30 A3B4C26D30 -47.98 4.37 -8.47 -0.71 0
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178521 76341424 1 N3O4C25H31 A3B4C25D31 -104.71 2.19 -8.3 -0.3 0
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178522 76341431 1 SN4O4C23H28 AB4C4D23E28 -98.94 4.65 -8.74 -0.98 0
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178523 76341660 1 SN4O5C23H24 AB4C5D23E24 -116.17 5.0 -8.49 -0.66 0
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178524 76342437 1 N2O5C26H32 A2B5C26D32 -147.69 3.64 -8.83 -0.6 0
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178525 76342438 1 SN3O4C26H33 AB3C4D26E33 -140.88 4.12 -9.16 -0.58 1
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178526 76342439 1 O4N6C25H33 A4B6C25D33 -117.36 1.73 0.0 0.0 0
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178527 76342441 1 N2O3C25H30 A2B3C25D30 -81.32 3.0 -8.93 -0.67 0
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178528 76342619 1 BrClN2O4C21H22 ABC2D4E21F22 -119.19 5.27 -8.78 -0.78 0
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178529 76342620 1 BrClN2O4H20C21 ABC2D4E20F21 -114.41 1.75 -9.02 -0.89 0
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178530 76342869 1 SO3N4C27H38 AB3C4D27E38 -149.86 8.26 -8.57 -0.32 0
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178531 76342876 1 SO3N4C19H20 AB3C4D19E20 -34.92 6.45 -9.0 -0.73 1