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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147021 53777089 1 Cl2N2O4H18C21 A2B2C4D18E21 -82.35 5.24 -9.03 -0.86 0
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147022 53777093 1 Cl2N2O2C23H24 A2B2C2D23E24 -41.72 4.81 -9.17 -1.19 0
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147023 53777094 1 NO3C6H9 AB3C6D9 -116.45 6.92 -10.13 -0.51 0
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147024 53777095 1 O3C20H26 A3B20C26 -76.19 2.74 -8.74 0.22 0
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147025 53777096 1 NC21H25 AB21C25 34.35 0.78 -8.51 0.13 0
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147026 53777102 2 HC2F3 AB2C3 -278.27 2.58 -11.39 -0.62 0
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147027 53777104 1 NO3C10H23 AB3C10D23 -176.27 2.96 -8.82 2.06 0
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147028 53777106 1 SiF2C30H35 AB2C30D35 -43.6 3.27 0.0 0.0 0
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147029 53785870 1 N3O6C43H69 A3B6C43D69 -189.68 6.11 -8.67 -0.98 0
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147030 53785926 1 ClFOSN3C24H29 ABCDE3F24G29 -43.25 4.74 -8.36 -0.44 0
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147031 53785927 1 SN2O5C8H12 AB2C5D8E12 -220.19 4.87 -11.33 -1.0 0
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147032 53785954 1 N2O4F6C29H36 A2B4C6D29E36 -474.24 5.46 -8.19 -1.1 0
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147033 53785971 1 OC11H14 AB11C14 -42.32 1.02 -8.41 0.54 0
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147034 53785991 1 O2C19H36 A2B19C36 -153.17 2.89 -9.57 0.14 0
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147035 53786061 1 SO3N4C8H8 AB3C4D8E8 -63.88 4.42 -9.41 -1.03 1
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147036 53786179 1 ClO3N7C25H27 AB3C7D25E27 -27.74 6.68 0.0 0.0 0
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147037 53786180 1 N2O3C28H52 A2B3C28D52 -205.94 4.03 -8.34 0.66 0
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147038 53786182 1 BrO4H13C16 AB4C13D16 -101.63 3.76 -7.79 -0.88 0
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147039 53786192 1 ON7C27H27 AB7C27D27 116.19 7.26 -8.43 -0.77 0
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147040 53786197 1 IO2C16H23 AB2C16D23 -88.59 3.6 -8.39 -0.7 0
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147041 53786223 1 SN3C10H15 AB3C10D15 49.25 3.39 -8.64 -0.37 0
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147042 53786510 1 O4H20C23 A4B20C23 -89.92 1.59 -8.34 -0.74 0
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147043 53786517 1 NS2C12H15 AB2C12D15 40.82 3.35 -8.52 -0.38 0
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147044 53786520 1 O7C12H20 A7B12C20 -332.41 1.27 -10.17 0.84 0
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147045 53786522 1 NO5C9H17 AB5C9D17 -237.09 1.95 -9.9 0.88 0
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147046 53786523 1 SN2O2C5H8 AB2C2D5E8 -64.26 3.92 -9.24 -0.24 0
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147047 53786524 1 SCl2N2H18C20 AB2C2D18E20 68.65 5.04 -8.99 -0.76 0
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147048 53786530 2 OF3H10C12 AB3C10D12 -351.85 3.09 -9.48 -1.26 0
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147049 53786536 1 FOC23H33 ABC23D33 -96.29 4.77 -8.46 -0.54 0
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147050 53786537 1 O2C17H34 A2B17C34 -61.58 1.33 -9.03 0.64 1
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147051 53786538 1 NO3H24C25 AB3C24D25 -56.31 2.25 0.0 0.0 0
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147052 53786542 1 NO4C25H29 AB4C25D29 -99.54 1.63 -8.17 -0.42 0
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147053 53786544 1 SN2O4C13H20 AB2C4D13E20 -170.83 5.34 -9.13 -0.49 0
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147054 53786555 1 ON2C9H16 AB2C9D16 -25.35 2.46 -10.08 0.79 0
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147055 53786562 1 OC35H46 AB35C46 -3.2 1.09 -8.53 0.13 0
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147056 53786566 2 C9H10 A9B10 31.65 1.5 -9.02 0.3 0
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147057 53786569 1 S2Cl3N4O6H19C20 A2B3C4D6E19F20 -171.27 8.45 -8.59 -1.46 0
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147058 53786571 4 OC2H2 AB2C2 -106.63 0.23 -9.46 -0.74 0
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147059 53786582 1 OCl2N4H12C19 AB2C4D12E19 90.27 4.31 -9.17 -1.33 0
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147060 53786583 1 FN3O5C18H22 AB3C5D18E22 -241.53 6.17 -9.28 -0.59 0
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147061 53786589 1 PN2O6C19H25 AB2C6D19E25 -213.32 3.22 -9.45 -0.6 0
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147062 53786601 1 NO3C8H19 AB3C8D19 -142.82 1.28 -8.79 1.34 0
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147063 53786618 1 N2O2C33H48 A2B2C33D48 -131.17 4.16 -8.59 0.27 0
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147064 53786629 1 N2O2C9H14 A2B2C9D14 -78.91 3.58 -9.81 0.58 0
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147065 53786632 1 BrClN2S3O6H26C32 ABC2D3E6F26G32 -130.89 5.9 -9.07 -1.17 0
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147066 53786653 1 NO11C14H25 AB11C14D25 -481.94 2.51 -10.2 -0.88 0
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147067 53786655 1 SN2O3H8C9 AB2C3D8E9 -13.29 7.39 -9.5 -1.43 0
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147068 53786666 1 BrCl2F4O4H13C17 AB2C4D4E13F17 -326.21 3.23 -9.01 -1.82 0
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147069 53786667 1 NSO4C15H23 ABC4D15E23 -183.79 6.69 -8.75 -0.02 0
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147070 53786671 1 O2N4H16C21 A2B4C16D21 19.3 4.05 -9.16 -1.34 0