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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80210 49833539 1 BN2O7C23H29 AB2C7D23E29 -329.2 11.18 -8.2 -0.8 1
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80211 49833540 1 BN2O7C23H30 AB2C7D23E30 -319.7 4.92 0.0 0.0 0
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80212 49833596 1 ClN2O5H25C27 AB2C5D25E27 -136.42 2.49 -8.78 -0.51 0
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80213 49833601 1 ClON8H25C31 ABC8D25E31 118.43 2.45 -8.48 -0.86 0
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80214 49833606 1 ClO4N5C26H28 AB4C5D26E28 -92.82 3.99 -8.71 -0.8 0
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80215 49833609 1 FON6H19C25 ABC6D19E25 53.62 2.91 -8.8 -1.11 0
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80216 49833611 1 FON6H19C23 ABC6D19E23 33.55 3.45 -8.65 -1.09 0
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80217 49833615 1 ClSO3N4C21H21 ABC3D4E21F21 -40.29 10.58 -8.44 0.06 0
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80218 49833625 1 ClS2F3N4O4H20C22 AB2C3D4E4F20G22 -233.14 2.26 -9.82 -1.46 0
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80219 49833626 1 ClS2F3O3N5C26H27 AB2C3D3E5F26G27 -207.37 3.5 -8.7 -1.44 0
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80220 49833628 1 ClSO3F4N6H33C34 ABC3D4E6F33G34 -227.48 7.64 -8.49 -1.2 0
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80221 49833632 1 SF3O4N7H20C27 AB3C4D7E20F27 -181.74 10.38 -9.64 -2.02 0
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80222 49833639 1 ClN4C13H17 AB4C13D17 71.09 2.54 -8.91 -0.42 0
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80223 49833642 1 Cl2N3O5C31H33 A2B3C5D31E33 -151.42 6.36 -8.76 -0.49 0
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80224 49833645 1 ClFN2O4H22C26 ABC2D4E22F26 -124.87 3.56 -8.72 -0.47 0
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80225 49833647 1 SN4O4H20C23 AB4C4D20E23 -25.16 4.92 -8.44 -0.86 0
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80226 49833648 1 Cl2S2O3N7H15C22 A2B2C3D7E15F22 85.17 7.37 -9.56 -1.49 0
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80227 49833651 1 FCl2O4N8H31C38 AB2C4D8E31F38 12.13 7.53 -9.38 -1.23 0
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80228 49833656 1 Cl2F3O5N8H31C38 A2B3C5D8E31F38 -136.3 7.76 -9.31 -1.48 0
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80229 49833657 1 ClO2N3H10C13 AB2C3D10E13 41.27 4.2 -9.59 -1.0 0
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80230 49833659 1 F2N3O4H9C14 A2B3C4D9E14 -124.73 2.61 -9.73 -1.11 0
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80231 49833662 1 SN2O5H20C23 AB2C5D20E23 -62.39 8.72 -9.18 -1.01 0
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80232 49833663 1 ClO2N3C19H20 AB2C3D19E20 19.91 2.57 -9.12 -0.45 0
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80233 49833667 1 O4N10C27H34 A4B10C27D34 -37.14 3.42 -8.62 -1.07 0
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80234 49833675 2 FON3C11H12 ABC3D11E12 -100.45 6.99 -8.89 -0.82 0