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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229499 87567857 1 ClFO2S2N3C21H23 ABC2D2E3F21G23 -51.1 4.58 -9.41 -0.88 0
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229500 87567858 1 FO2S2N3C21H22 AB2C2D3E21F22 -16.08 3.55 -9.16 -1.06 0
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229501 87567861 1 NSO4C11H13 ABC4D11E13 -134.04 2.95 -8.57 -1.23 0
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229502 87567862 1 FSN3O4C21H24 ABC3D4E21F24 -148.9 3.59 -9.38 -0.45 0
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229503 87567863 2 O2C8H15 A2B8C15 -232.88 4.58 -11.03 -0.22 0
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229504 87567867 1 O4C25H48 A4B25C48 -270.55 3.35 -10.44 0.57 0
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229505 87567868 1 S3O4N6H18C19 A3B4C6D18E19 -26.76 7.83 -8.68 -1.25 0
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229506 87567869 1 O3N5F6H17C24 A3B5C6D17E24 -307.09 3.09 -9.05 -0.9 0
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229507 87567871 1 MnNO4C10H11 ABC4D10E11 -68.4 6.17 0.0 0.0 0
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229508 87567873 1 N3O4C29H29 A3B4C29D29 -41.78 3.63 -8.45 -0.9 0
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229509 87567888 2 OF2N3H9C11 AB2C3D9E11 -184.33 5.99 -8.46 -1.53 0
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229510 87567894 1 PSF2N2O10C27H37 ABC2D2E10F27G37 -566.54 8.48 -9.17 -0.21 0
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229511 87567896 1 PSF2N2O10C27H37 ABC2D2E10F27G37 -575.98 1.82 -9.24 -0.21 0
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229512 87567898 1 FSN3O4C21H24 ABC3D4E21F24 -128.12 2.8 -9.2 -0.11 0
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229513 87567900 1 NPF2O8C22H26 ABC2D8E22F26 -472.65 3.34 -9.27 -0.62 0
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229514 87567901 1 ClFSO3N4C22H26 ABCD3E4F22G26 -69.01 0.93 -8.99 -0.43 0
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229515 87567902 1 FSO3N4C22H25 ABC3D4E22F25 -34.11 3.21 -8.98 -0.45 0
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229516 87567905 1 PSF2N2O6C32H49 ABC2D2E6F32G49 -431.72 3.17 -9.29 -0.13 -1
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229517 87567907 1 NO4H10C12 AB4C10D12 -13.01 8.56 0.0 0.0 0
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229518 87567916 1 Cl2O3N4H14C16 A2B3C4D14E16 -56.19 4.6 -10.06 -1.26 0
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229519 87567917 1 BrNPF2O3C16H23 ABCD2E3F16G23 -287.43 4.8 -9.1 -0.39 0
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229520 87567919 1 PSF2N3O7C27H32 ABC2D3E7F27G32 -348.98 6.64 -7.94 -0.6 0
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229521 87567925 1 O10C13H26 A10B13C26 -458.82 6.66 -10.23 0.3 0
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229522 87567926 1 BrNOC11H22 ABCD11E22 -39.72 22.78 -6.47 -1.76 0
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229523 87567928 1 O3F6N6C23H28 A3B6C6D23E28 -336.09 4.95 -8.9 -0.83 0