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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85425 49875016 1 OSCl2N2C17H20 ABC2D2E17F20 -44.92 4.99 -8.35 -0.69 0
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85426 49875027 1 N2S2F3O3H11C15 A2B2C3D3E11F15 -184.54 2.05 -8.89 -1.55 0
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85427 49875028 1 Br2O2N3C9H9 A2B2C3D9E9 -45.7 3.93 -10.01 -1.58 0
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85428 49875031 1 SCl2O3N5C19H25 AB2C3D5E19F25 -100.07 12.47 -8.18 -1.82 0
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85429 49875033 1 ClSN3O5H16C17 ABC3D5E16F17 -6.53 7.09 -9.16 -2.23 0
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85430 49875053 1 S2N4H22C29 A2B4C22D29 216.09 6.92 -8.82 -0.98 0
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85431 49875054 1 ClSN2O3C18H25 ABC2D3E18F25 -88.24 2.81 -9.21 -0.66 0
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85432 49875064 1 SCl2N2O3H4C11 AB2C2D3E4F11 36.11 3.76 -10.05 -2.04 0
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85433 49875065 1 ClNSH2O3C5 ABCD2E3F5 -3.48 5.16 -10.42 -2.21 0
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85434 49875066 1 ClSN2O3H5C6 ABC2D3E5F6 15.48 4.79 -9.82 -1.95 0
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85435 49875092 1 ClS2O5N6C23H25 AB2C5D6E23F25 -83.45 1.77 -8.9 -1.43 0
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85436 49875096 1 S2O6C13H22 A2B6C13D22 -279.14 3.75 -9.16 -0.59 0
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85437 49875098 1 NSCl2O4H13C16 ABC2D4E13F16 -143.9 4.33 -9.28 -1.2 0
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85438 49875124 1 ClN2O4H13C17 AB2C4D13E17 -129.77 4.61 -9.37 -0.9 1
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85439 49875128 1 N3O3H8C9 A3B3C8D9 -27.6 6.95 0.0 0.0 0
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85440 49875143 1 ClN3S3O5H12C19 AB3C3D5E12F19 -69.19 5.72 -8.58 -2.34 0
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85441 49875144 1 FNO5H10C15 ABC5D10E15 -107.6 2.27 -9.25 -1.19 0
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85442 49875160 2 NC6H7 AB6C7 43.51 3.5 -9.08 -0.26 0
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85443 49875188 1 S2N3O5H19C27 A2B3C5D19E27 -49.21 4.81 -8.87 -1.94 0
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85444 49875250 1 ClS2N3O4H16C21 AB2C3D4E16F21 -42.38 4.04 -9.13 -2.01 0
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85445 49875251 1 N2O2C9H12 A2B2C9D12 -62.3 4.01 -9.25 -0.31 0
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85446 49875255 1 ON2H10C11 AB2C10D11 11.72 3.65 -10.4 -1.15 0
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85447 49875299 1 NSO3C9H9 ABC3D9E9 -87.26 3.1 -8.98 -1.23 0
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85448 49875301 1 ClNSO4H12C14 ABCD4E12F14 -122.4 3.46 -8.96 -0.86 0
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85449 49875308 1 SO4C10H10 AB4C10D10 -112.4 3.89 -9.3 -1.25 0