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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35800 7980339 3 NO2C6H7 AB2C6D7 -221.18 7.06 -8.96 -0.71 0
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35801 7980340 1 N3O4H15C19 A3B4C15D19 -56.67 3.41 -9.06 -1.18 0
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35802 7980342 1 NO4H19C21 AB4C19D21 -102.05 2.02 -8.59 -0.49 0
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35803 7980343 1 N2O5C20H20 A2B5C20D20 -150.81 2.83 -8.86 -0.48 0
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35804 7980344 1 O3N5C20H21 A3B5C20D21 -28.99 0.91 -8.91 -0.37 0
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35805 7980346 2 NO2C9H11 AB2C9D11 -132.52 6.39 -9.39 -0.4 0
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35806 7980347 1 ClNSO3H14C18 ABCD3E14F18 -41.07 2.62 -9.01 -1.25 0
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35807 7980349 1 SN2O4H18C19 AB2C4D18E19 -83.73 5.81 -9.17 -0.86 0
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35808 7980350 1 NO4H19C20 AB4C19D20 -104.77 5.28 -8.92 -0.49 0
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35809 7980351 1 NO4H19C20 AB4C19D20 -101.97 4.27 -8.84 -0.39 0
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35810 7980353 1 SN2O6C19H22 AB2C6D19E22 -192.65 8.25 -9.26 -0.62 0
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35811 7980354 1 SN2O6C19H22 AB2C6D19E22 -191.29 5.18 -9.1 -0.72 0
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35812 7980355 1 NO4C19H27 AB4C19D27 -179.75 4.5 -9.35 -0.15 0
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35813 7980356 1 NO4C19H27 AB4C19D27 -178.2 4.77 -9.38 -0.21 0
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35814 7980357 1 NO4C19H27 AB4C19D27 -174.48 4.85 -9.26 -0.15 0
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35815 7980358 1 NO4C19H27 AB4C19D27 -174.09 5.35 -9.27 -0.18 0
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35816 7980359 1 ClN2O5C19H19 AB2C5D19E19 -156.84 2.29 -9.2 -0.58 0
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35817 7980360 2 O3H9C10 A3B9C10 -191.42 4.67 -9.14 -1.2 0
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35818 7980363 1 NO5H19C22 AB5C19D22 -115.23 4.48 -8.82 -0.38 0
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35819 7980368 1 NO4C19H19 AB4C19D19 -112.14 4.12 -8.77 0.02 0
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35820 7980369 1 NCl2O4H17C18 AB2C4D17E18 -140.2 3.06 -9.33 -0.47 0
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35821 7980370 1 NSO7C20H21 ABC7D20E21 -214.69 2.16 -9.13 -1.58 0
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35822 7980372 1 NO4C20H23 AB4C20D23 -132.45 4.12 -8.67 -0.35 0
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35823 7980373 1 NO4C18H19 AB4C18D19 -124.53 5.45 -9.05 -0.13 0
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35824 7980374 2 NO3C11H11 AB3C11D11 -196.7 3.91 -8.38 -0.17 0
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35825 7980375 2 NO3C11H11 AB3C11D11 -196.31 4.19 -8.28 -0.26 0
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35826 7980376 1 NO5C15H19 AB5C15D19 -183.54 3.68 -9.0 0.18 0
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35827 7980377 1 N2O5C22H24 A2B5C22D24 -166.69 4.24 -8.33 -0.3 0
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35828 7980378 1 NO6C19H19 AB6C19D19 -192.53 3.21 -9.13 -0.9 0
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35829 7980379 1 NO4H19C23 AB4C19D23 -86.29 1.4 -8.77 -0.69 0
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35830 7980380 1 BrClNO4H15C17 ABCD4E15F17 -120.92 0.83 -9.41 -0.77 0
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35831 7980381 1 SN2O6C20H22 AB2C6D20E22 -182.89 7.5 -9.24 -0.73 0
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35832 7980382 1 BrNSO3H16C17 ABCD3E16F17 -75.72 4.25 -9.27 -0.95 0
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35833 7980383 1 ClNO4C21H24 ABC4D21E24 -151.6 2.28 -8.99 -0.21 0
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35834 7980385 1 SN2O3H16C19 AB2C3D16E19 -36.78 1.48 -9.25 -1.41 0
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35835 7980386 1 NO4C20H23 AB4C20D23 -133.14 4.06 -8.72 -0.3 0
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35836 7980387 1 NO4C19H21 AB4C19D21 -131.36 1.2 -9.41 -0.07 0
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35837 7980388 1 N2O4H22C23 A2B4C22D23 -110.73 2.86 -8.94 -0.58 0
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35838 7980389 1 FNSO3H16C17 ABCD3E16F17 -126.52 1.72 -9.2 -0.77 0
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35839 7980390 1 NSO3C17H19 ABC3D17E19 -91.39 3.23 -9.14 -0.18 0
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35840 7980391 1 SN2F3O4H11C17 AB2C3D4E11F17 -207.02 4.03 -9.23 -1.65 0
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35841 7980392 1 BrFNO3H15C18 ABCD3E15F18 -107.81 5.0 -9.84 -1.01 0
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35842 7980394 1 NS2O3C19H19 AB2C3D19E19 -73.41 5.58 -9.1 -0.7 0
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35843 7980395 1 N2O5C20H20 A2B5C20D20 -159.33 3.95 -9.16 -0.47 0
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35844 7980396 1 O5H14C18 A5B14C18 -108.64 3.34 -9.13 -1.25 0
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35845 7980397 1 SN2O4H18C19 AB2C4D18E19 -72.97 6.09 -8.77 -1.16 0
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35846 7980398 1 ClNO5C21H24 ABC5D21E24 -176.58 3.92 -8.82 -0.58 0
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35847 7980399 1 ClNF3O3H15C19 ABC3D3E15F19 -235.68 1.48 -9.79 -1.3 0
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35848 7980400 1 NO4C21H25 AB4C21D25 -138.19 5.13 -8.95 -0.08 0
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35849 7980402 1 NO4H23C24 AB4C23D24 -97.0 4.06 -9.25 -0.12 0