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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78452 49689760 1 SO3N4C18H22 AB3C4D18E22 -59.81 9.85 -9.5 -1.01 0
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78453 49689765 1 SO3N6C16H22 AB3C6D16E22 -41.85 9.23 -9.42 -1.04 0
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78454 49689774 1 SF2O2N4C17H18 AB2C2D4E17F18 -107.56 2.53 -9.91 -1.35 0
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78455 49689778 1 SO2N4C20H26 AB2C4D20E26 -38.29 8.63 -9.58 -1.1 0
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78456 49689782 1 SO2N5C19H25 AB2C5D19E25 -17.55 10.64 -8.53 -1.09 0
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78457 49689808 1 SO4N5C18H19 AB4C5D18E19 -19.8 6.08 -9.64 -1.3 0
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78458 49689816 1 SO2N4C21H30 AB2C4D21E30 -75.26 7.83 -9.56 -1.13 0
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78459 49689817 1 SO4N5C18H21 AB4C5D18E21 -32.0 5.91 -9.75 -1.65 0
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78460 49689818 1 SO4N5C18H21 AB4C5D18E21 -31.55 5.94 -9.75 -1.78 0
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78461 49689819 1 SO4N5C18H21 AB4C5D18E21 -32.55 6.09 -9.81 -1.63 0
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78462 49689820 1 SO4N5C18H21 AB4C5D18E21 -31.19 7.23 -9.78 -1.51 0
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78463 49689821 1 SN4O4C19H24 AB4C4D19E24 -99.08 7.28 -9.27 -1.07 0
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78464 49689823 1 SN4O4C19H24 AB4C4D19E24 -100.41 8.61 -9.3 -1.06 0
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78465 49689824 1 SN4O4C19H24 AB4C4D19E24 -103.3 7.79 -9.3 -1.2 0
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78466 49689833 1 SO2N4C21H34 AB2C4D21E34 -88.28 7.96 -9.57 -1.08 0
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78467 49689837 1 ClSO3N4C18H21 ABC3D4E18F21 -67.08 5.12 -9.41 -1.24 0
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78468 49689842 1 SN4O4C20H20 AB4C4D20E20 -68.35 10.03 -9.72 -1.36 0
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78469 49689845 1 SCl2O2N4C17H18 AB2C2D4E17F18 -33.92 2.29 -9.93 -1.37 0
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78470 49689850 1 SN4O4C20H22 AB4C4D20E22 -70.35 7.97 -9.04 -1.1 0
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78471 49689852 1 SO4N5C19H21 AB4C5D19E21 -87.51 5.96 -9.53 -1.17 0
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78472 49689854 1 SO3N4C21H28 AB3C4D21E28 -75.05 5.94 -9.09 -1.23 0
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78473 49689860 1 BrSO2N4C17H19 ABC2D4E17F19 -15.24 7.65 -9.65 -1.09 0
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78474 49689865 1 ClSO4N5C17H18 ABC4D5E17F18 -27.7 6.33 -9.8 -2.07 0
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78475 49689874 1 O2S2N4C21H28 A2B2C4D21E28 -41.33 2.39 -8.7 -1.34 0
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78476 49689877 1 SO2N4C24H26 AB2C4D24E26 -3.33 5.09 -9.32 -1.27 0
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78477 49693205 2 FNOC10H10 ABCD10E10 -139.4 4.69 -9.32 -0.83 0
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78478 49693222 1 FN2O2C22H25 AB2C2D22E25 -110.87 0.22 -9.31 -0.4 0
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78479 49693228 1 FN2O3C21H23 AB2C3D21E23 -132.4 4.67 -9.24 -0.34 0
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78480 49693229 1 FN3O3C20H22 AB3C3D20E22 -141.04 6.15 -9.16 -1.01 0
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78481 49693230 1 F2N2O2C21H22 A2B2C2D21E22 -148.74 4.96 -9.3 -0.4 0
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78482 49693243 1 ClFSN2O2C18H18 ABCD2E2F18G18 -88.78 6.31 -9.28 -1.22 0
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78483 49693250 1 FN2O4C21H21 AB2C4D21E21 -155.15 1.59 -9.14 -0.59 0
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78484 49693259 1 FN3O4C20H20 AB3C4D20E20 -95.12 4.64 -9.64 -1.66 0
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78485 49693265 1 F2N2O3C21H22 A2B2C3D21E22 -176.16 3.63 -9.36 -0.5 0
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78486 49693281 1 FN2O3C23H27 AB2C3D23E27 -145.92 6.46 -8.9 -0.32 0
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78487 49693287 1 FN3O4C21H22 AB3C4D21E22 -105.19 3.97 -9.64 -1.51 0
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78488 49693302 1 FN2O2C25H25 AB2C2D25E25 -84.08 5.17 -9.13 -0.77 0
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78489 49693314 1 FCl2N2O2H19C20 AB2C2D2E19F20 -110.76 4.8 -9.34 -1.08 0
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78490 49693315 1 FCl2N2O2H19C20 AB2C2D2E19F20 -105.93 3.72 -9.62 -0.98 0
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78491 49693322 1 FN2O4C23H27 AB2C4D23E27 -175.91 6.03 -8.48 -0.42 0
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78492 49693328 1 ClFN3O4H19C20 ABC3D4E19F20 -100.97 6.58 -9.36 -1.89 0
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78493 49693329 1 ClFN3O4H19C20 ABC3D4E19F20 -103.13 5.11 -9.48 -1.89 0
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78494 49693331 1 ClFN3O4H19C20 ABC3D4E19F20 -101.44 5.57 -9.68 -2.0 0
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78495 49693332 1 FN2O3C25H25 AB2C3D25E25 -112.8 6.84 -8.89 -0.76 0
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78496 49693360 1 ClFN3O3H23C24 ABC3D3E23F24 -86.67 3.48 -9.27 -0.62 0
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78497 49693363 1 ClFN3O3C24H25 ABC3D3E24F25 -146.55 3.87 -8.88 -0.46 0
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78498 49693364 1 FSN2O4C24H29 ABC2D4E24F29 -193.72 8.66 -9.33 -0.8 0
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78499 49693378 1 FO2N3C20H22 AB2C3D20E22 -91.73 2.02 -8.8 -0.53 0
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78500 49693383 1 FO2N3C21H24 AB2C3D21E24 -104.02 5.95 -8.81 -0.54 0
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78501 49693387 1 FSO2N3C19H22 ABC2D3E19F22 -91.64 2.35 -9.29 -0.48 0