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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161666 57392284 1 NO2H19C23 AB2C19D23 -7.58 3.52 -9.32 -0.1 0
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161667 57392285 1 NO2H21C24 AB2C21D24 -12.54 3.37 -8.71 -0.07 0
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161668 57392289 1 FN7C22H28 AB7C22D28 22.36 3.88 -8.24 -0.47 0
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161671 57392295 1 FN3O3H28C30 AB3C3D28E30 -19.51 5.26 -8.53 -1.33 0
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161672 57392296 1 N3O3H25C28 A3B3C25D28 58.43 11.06 -8.44 -2.56 0
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161673 57392299 1 FN3O3S3C19H22 AB3C3D3E19F22 -120.94 3.45 -8.91 -1.13 0
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161674 57392302 1 BrCl2O2N4C29H33 AB2C2D4E29F33 -22.68 7.67 -8.13 -1.36 0
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161676 57392305 1 SN3O3C15H15 AB3C3D15E15 13.51 10.75 -8.91 -1.41 0
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161677 57392306 1 OSN2C16H18 ABC2D16E18 14.07 5.61 -8.68 -0.68 0
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161678 57392308 1 NO3C15H31 AB3C15D31 -183.33 2.12 -9.48 1.75 0
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161679 57392311 1 N5C17H19 A5B17C19 67.78 8.47 -8.78 -0.68 0
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161680 57392312 5 NC3H3 AB3C3 101.53 6.42 -8.87 -0.77 0
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161682 57392318 1 ClNO3C20H24 ABC3D20E24 -112.06 3.03 -9.18 -0.65 0
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161683 57392319 1 N7O7C33H43 A7B7C33D43 -287.94 5.26 -9.21 -0.18 0
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161684 57392321 1 FSO2N4H15C20 ABC2D4E15F20 -13.83 4.25 -8.74 -1.03 0
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161685 57392326 1 ClN2O5H13C17 AB2C5D13E17 -51.84 4.18 -9.46 -1.82 0
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161686 57392328 1 BrNO3H18C19 ABC3D18E19 -65.19 6.94 -8.9 -1.01 0
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161687 57392329 1 ClNO4H20C25 ABC4D20E25 -72.46 3.05 -9.6 -1.28 0
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161689 57392337 1 INC25H42 ABC25D42 36.86 49.15 -4.71 -2.35 1
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161690 57392338 1 NC25H42 AB25C42 -6.09 1.49 0.0 0.0 0
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161691 57392339 1 SO2N4C16H18 AB2C4D16E18 -30.45 3.85 -8.82 -0.59 0
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161692 57392343 1 N3O3C16H17 A3B3C16D17 -20.0 5.02 -9.43 -1.11 0
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161693 57392344 1 O2N3H17C19 A2B3C17D19 -15.15 2.56 -8.84 -0.83 0
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161694 57392347 1 ClSO4N5C18H22 ABC4D5E18F22 -122.77 8.98 -9.3 -0.84 0
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161695 57392357 1 O2N3C18H25 A2B3C18D25 -52.75 6.72 -8.52 -0.36 0