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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174838 75820333 1 SO4N5C16H28 AB4C5D16E28 -50.74 8.07 0.0 0.0 1
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174839 75820428 1 ON2C19H27 AB2C19D27 2.23 4.22 0.0 0.0 1
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174840 75820429 1 N2O3S3C18H21 A2B3C3D18E21 -22.8 10.22 0.0 0.0 -1
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174841 75821531 1 O4N5C19H22 A4B5C19D22 -48.16 2.16 0.0 0.0 -1
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174842 75821532 1 FSO3N4C20H28 ABC3D4E20F28 -86.11 3.04 0.0 0.0 0
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174843 75821533 1 FSO3N4C20H29 ABC3D4E20F29 -147.81 5.72 -8.92 -0.38 0
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174844 75821791 1 FSN2O2C21H25 ABC2D2E21F25 -110.7 4.13 -9.3 -0.39 0
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174845 75821876 1 O2N3H21C25 A2B3C21D25 41.49 8.2 -8.55 -0.71 1
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174846 75822246 1 ON3C17H28 AB3C17D28 -24.08 3.11 0.0 0.0 1
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174847 75822364 1 ON4C21H27 AB4C21D27 22.7 9.89 0.0 0.0 1
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174848 75822365 1 ON4C17H27 AB4C17D27 -0.34 4.17 0.0 0.0 0
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174849 75822490 1 N2O5C22H32 A2B5C22D32 -199.57 4.28 -8.23 0.26 0
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174850 75822491 1 NO4C19H27 AB4C19D27 -142.2 1.6 -8.4 0.02 1
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174851 75822631 1 BrFO2N3C17H20 ABC2D3E17F20 -64.3 5.11 0.0 0.0 -1
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174852 75822650 1 BrNSO4C13H17 ABCD4E13F17 -126.07 6.55 0.0 0.0 -1
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174853 75822678 1 NSO3C16H24 ABC3D16E24 -65.68 13.81 0.0 0.0 -1
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174854 75822679 1 NSO4C18H26 ABC4D18E26 -105.62 13.92 0.0 0.0 -1
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174855 75822680 1 SN2O4C17H23 AB2C4D17E23 -107.21 12.49 0.0 0.0 0
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174856 75822831 1 N2O5C21H30 A2B5C21D30 -219.43 4.73 -8.37 -0.11 0
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174857 75823139 1 SN2O4C19H24 AB2C4D19E24 -135.97 4.51 -9.41 -0.8 0
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174858 75823307 1 N2O4C23H30 A2B4C23D30 -145.75 8.08 -8.64 -0.34 -1
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174859 75823371 1 ClFOSN2H11C14 ABCDE2F11G14 -24.72 3.36 0.0 0.0 1
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174860 75823375 1 OSN3C19H24 ABC3D19E24 18.69 4.07 0.0 0.0 1
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174861 75823763 1 FO2N5H15C21 AB2C5D15E21 95.77 5.18 0.0 0.0 -1
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174862 75823826 1 SN3O4C20H20 AB3C4D20E20 -97.58 6.64 0.0 0.0 -1