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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398757 135035245 1 N2H12C15 A2B12C15 73.69 2.42 -9.23 -0.8 1
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398758 135035255 1 PO2C12H12 AB2C12D12 -48.01 4.17 0.0 0.0 0
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398759 135035261 2 C5H8 A5B8 14.34 1.25 -9.62 0.88 0
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398760 135035266 2 NOC10H10 ABC10D10 -4.33 6.8 -9.05 -0.99 0
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398761 135035282 1 N2O5C18H26 A2B5C18D26 -215.58 5.28 -8.42 -0.8 0
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398763 135035292 1 FNO3H6C7 ABC3D6E7 -63.62 7.43 -9.65 -1.59 0
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398764 135035293 1 NO5C19H25 AB5C19D25 -194.05 5.61 -8.3 0.21 0
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398765 135035295 1 BrOSN2H11C12 ABCD2E11F12 19.65 4.81 -9.1 -0.74 0
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398766 135035313 1 NSO5H19C22 ABC5D19E22 -130.99 5.31 -9.06 -0.99 0
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398767 135035315 1 NSO3H15C18 ABC3D15E18 -51.35 6.94 -8.9 -1.2 0
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398769 135035318 1 NSO2C19H25 ABC2D19E25 -54.45 5.92 -8.85 -0.34 0
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398770 135035328 1 OC14H18 AB14C18 -25.77 1.64 -9.41 0.2 0
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398771 135035339 1 PO2H21C22 AB2C21D22 -51.48 4.01 -9.09 -0.3 0
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398773 135035347 1 ClOC25H27 ABC25D27 -2.83 4.35 -9.21 -0.3 0
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398774 135035352 1 OC26H30 AB26C30 -3.87 3.39 -9.04 0.12 0
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398775 135035359 1 OC25H28 AB25C28 6.71 3.07 -9.08 -0.01 0
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398776 135035364 1 N2O2H20C21 A2B2C20D21 -19.16 1.82 -9.44 -1.15 0
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398777 135035369 1 N2O2H20C21 A2B2C20D21 -18.42 2.08 -9.54 -1.14 0
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398778 135035374 1 NOC14H15 ABC14D15 42.62 1.91 -9.91 -1.11 0
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398779 135035383 3 O2C7H10 A2B7C10 -265.32 5.18 -9.35 0.27 0
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398780 135035385 1 N3O3C21H31 A3B3C21D31 -135.68 8.28 -9.38 0.06 0
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398781 135035389 3 NOC10H13 ABC10D13 -124.33 7.25 -9.24 -0.45 0
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398782 135035391 1 O6H14C17 A6B14C17 -175.96 5.49 -8.52 -1.24 0
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398783 135035399 1 N2S2F3O8H21C22 A2B2C3D8E21F22 -435.13 4.92 -9.19 -1.3 0
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398784 135035400 1 N2S2F3O8H21C22 A2B2C3D8E21F22 -423.2 0.63 -9.03 -1.61 1
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398785 135035402 1 ClN2C5H10 AB2C5D10 11.48 2.09 0.0 0.0 0
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398786 135035411 2 N2C9H11 A2B9C11 83.92 1.23 -8.47 0.04 0
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398787 135035415 1 N4O4C57H72 A4B4C57D72 -41.75 1.78 -7.83 0.24 0
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398788 135035416 1 FNOC18H18 ABCD18E18 -26.03 2.41 -8.08 -0.04 0
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398789 135035417 1 ClNOC18H18 ABCD18E18 12.23 2.63 -8.11 -0.05 0
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398790 135035424 2 NH12C15 AB12C15 132.91 1.06 -7.99 -0.18 0
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398791 135035427 1 N2S2O5H26C28 A2B2C5D26E28 -111.49 10.16 -8.61 -0.8 0
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398792 135035428 1 N2S2O5H22C23 A2B2C5D22E23 -111.56 5.55 -8.71 -0.73 0
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398793 135035429 1 NO7C25H33 AB7C25D33 -210.19 3.03 -8.56 -0.18 0
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398794 135035452 1 OC15H16 AB15C16 -19.45 3.38 -8.92 -0.1 0
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398795 135035456 1 SN2O3C17H22 AB2C3D17E22 -94.02 6.77 -8.4 -0.25 0
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398796 135035459 1 ClOC9H9 ABC9D9 -14.31 4.44 -8.86 -0.23 0
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398797 135035460 3 NH3C4 AB3C4 94.88 3.72 -8.68 -0.86 0
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398798 135035461 1 OSN2C12H12 ABC2D12E12 16.03 5.36 -8.97 -0.52 0
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398799 135035463 1 OSN2H14C17 ABC2D14E17 50.77 4.78 -9.04 -0.51 0
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398800 135035467 1 ClN2O2C23H25 AB2C2D23E25 -60.48 3.71 -9.84 -0.4 0
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398801 135035468 1 O2N6H30C33 A2B6C30D33 75.98 8.5 -9.14 -1.58 0
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398802 135035469 1 O2N6H28C31 A2B6C28D31 78.15 9.72 -9.2 -1.54 0
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398803 135035470 1 O2N6H32C33 A2B6C32D33 56.86 6.63 -9.26 -1.38 0
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398804 135035483 1 NSO5C30H45 ABC5D30E45 -178.97 4.77 -9.13 -0.31 0
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398805 135035485 2 NH10C15 AB10C15 256.64 0.19 -8.8 -1.14 0
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398806 135035491 1 N2O5C19H20 A2B5C19D20 -51.93 9.42 -9.88 -0.94 0
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398808 135035523 1 N3O3H27C28 A3B3C27D28 -44.58 5.65 -9.8 -0.46 0
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398810 135035530 1 NO2C17H23 AB2C17D23 -58.34 2.45 -8.84 0.44 0
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398811 135035543 1 NOC13H19 ABC13D19 -30.0 1.29 -8.72 0.22 0