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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217827 85088442 1 N4O4C21H30 A4B4C21D30 -77.89 2.92 -8.1 -0.31 0
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217828 85088443 1 O3N6C20H28 A3B6C20D28 -94.37 6.83 -8.68 -1.39 0
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217829 85088446 1 O4C25H38 A4B25C38 -179.49 2.35 -9.54 1.68 0
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217830 85088448 1 N4C25H46 A4B25C46 -54.45 1.85 -9.26 1.25 0
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217831 85088449 1 Cl3N3H14C20 A3B3C14D20 111.01 0.66 -8.91 -1.04 0
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217832 85088454 1 NSO4H17C23 ABC4D17E23 -45.79 5.67 -8.91 -1.16 0
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217833 85088455 1 SN3O5C19H21 AB3C5D19E21 -131.97 7.25 -9.36 -0.89 0
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217834 85088458 1 NO5C23H33 AB5C23D33 -220.41 2.32 -9.54 0.39 0
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217835 85088461 1 ClNO2C24H34 ABC2D24E34 -93.67 5.63 -9.18 0.08 0
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217836 85088466 2 ON2C12H13 AB2C12D13 55.69 3.76 -7.49 0.1 0
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217837 85088467 1 O2S3N4H16C17 A2B3C4D16E17 56.82 6.19 -8.35 -1.35 0
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217838 85088474 1 O2Si2C23H40 A2B2C23D40 -150.7 2.38 -9.12 0.28 0
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217839 85088475 1 ClO4N5C17H31 AB4C5D17E31 -143.24 3.4 0.0 0.0 0
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217840 85088476 1 O2N3F4H19C20 A2B3C4D19E20 -257.0 4.08 -8.85 -1.0 0
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217841 85088478 1 F3N3O5C17H22 A3B3C5D17E22 -372.91 5.92 -9.46 -0.64 0
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217842 85088480 1 NSO9C16H23 ABC9D16E23 -406.02 5.37 -8.69 -0.28 0
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217843 85088481 1 N3O6C20H27 A3B6C20D27 -182.5 7.73 -9.12 -1.1 0
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217844 85088482 1 NO4C25H27 AB4C25D27 -94.69 3.39 -8.42 -0.1 0
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217845 85088483 1 NSO3H23C24 ABC3D23E24 -15.83 4.17 -9.23 -0.41 0
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217846 85088484 1 NO3C26H31 AB3C26D31 -91.33 4.0 -8.28 -0.09 0
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217847 85088485 1 NO2C27H35 AB2C27D35 -59.03 0.99 -8.87 0.04 0
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217848 85088486 1 BrNO2C21H28 ABC2D21E28 -83.61 3.23 -9.38 -0.02 0
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217849 85088487 1 NSSeO2C19H21 ABCD2E19F21 -28.6 6.6 -8.09 -0.49 0
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217850 85088489 1 N2O5H22C23 A2B5C22D23 -70.61 5.67 -9.75 -1.18 0
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217851 85088491 2 N2O2C11H11 A2B2C11D11 -57.81 2.85 -9.53 -0.48 1
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217852 85088492 1 N4O4C22H23 A4B4C22D23 -46.84 8.33 0.0 0.0 0
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217853 85088493 1 O5C25H32 A5B25C32 -198.85 5.19 -8.45 -0.48 1
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217854 85088494 1 N2O4C24H27 A2B4C24D27 -140.15 10.34 0.0 0.0 0
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217855 85088495 1 SO4H22C24 AB4C22D24 -68.85 4.51 -8.43 -1.04 0
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217856 85088496 1 O6C23H34 A6B23C34 -241.06 2.78 -8.77 -0.08 0
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217857 85088497 1 N2O5C22H34 A2B5C22D34 -243.03 3.15 -9.53 0.24 0
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217858 85088498 1 O3C27H34 A3B27C34 -127.0 3.51 -8.55 -1.42 0
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217859 85088499 1 SO4C23H34 AB4C23D34 -183.66 4.58 -9.21 -0.18 0
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217860 85088500 1 SSiN2O3C20H30 ABC2D3E20F30 -161.41 3.0 -9.31 -0.61 0
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217861 85088501 1 SiO6C20H42 AB6C20D42 -347.51 3.49 -8.81 0.99 0
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217862 85088502 1 BrClNC21H25 ABCD21E25 -5.35 2.85 -8.21 -0.25 0
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217863 85088503 1 PN5O6C16H22 AB5C6D16E22 -249.89 7.97 -9.65 -0.46 0
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217864 85088507 1 N5O7C17H21 A5B7C17D21 -194.43 8.78 -9.58 -0.88 0
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217865 85088508 1 NO6H21C23 AB6C21D23 -178.8 8.25 -9.36 -0.96 0
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217866 85088509 1 N3O5H21C22 A3B5C21D22 -53.86 4.47 -9.2 -1.56 0
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217867 85088510 1 SN3O4H17C21 AB3C4D17E21 -50.27 7.83 -9.4 -1.21 0
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217868 85088511 1 OSN7C20H25 ABC7D20E25 57.83 4.64 -8.78 -1.02 0
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217869 85088516 1 BrClON4H14C17 ABCD4E14F17 80.2 2.86 -9.17 -1.89 0
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217870 85088517 1 BrNSO7C13H14 ABCD7E13F14 -188.09 7.37 -9.77 -0.98 0
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217871 85088518 1 ISO3C15H21 ABC3D15E21 -102.88 4.32 -9.48 -0.66 0
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217872 85088519 1 SO4F5H13C17 AB4C5D13E17 -287.53 2.27 -9.7 -1.68 0
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217873 85088520 1 ISiO2C16H29 ABC2D16E29 -115.91 1.75 -7.84 -0.46 0
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217874 85088521 1 O9C20H24 A9B20C24 -346.53 3.57 -9.64 -0.86 0
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217875 85088522 2 NO3H10C11 AB3C10D11 -147.03 3.63 -9.15 -1.59 0
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217876 85088523 1 N2O7C20H28 A2B7C20D28 -271.27 3.28 -8.74 0.25 0