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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85625 49877762 1 SO3N4C26H26 AB3C4D26E26 -13.72 4.06 -8.55 -1.31 0
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85626 49877763 1 SN3O3C26H29 AB3C3D26E29 -49.6 4.18 -8.28 -1.26 0
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85627 49877764 1 ClON4C27H27 ABC4D27E27 28.01 4.58 -8.2 -0.66 0
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85628 49877765 1 N2O4C21H22 A2B4C21D22 -95.86 3.81 -8.67 -1.51 0
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85629 49877774 1 ClO3N4H23C24 AB3C4D23E24 -0.26 7.52 -8.5 -1.94 0
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85630 49877781 1 O2N3H17C19 A2B3C17D19 48.37 6.92 -8.69 -1.12 0
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85631 49877799 1 ON4H14C16 AB4C14D16 72.26 9.24 -8.75 -0.84 0
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85632 49877805 1 N3O6C22H23 A3B6C22D23 -163.58 3.11 -8.1 -0.75 0
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85633 49877806 1 N2O3C31H40 A2B3C31D40 -113.76 2.73 -9.16 -1.15 0
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85634 49877811 1 N2O2H20C27 A2B2C20D27 83.35 7.0 -8.65 -1.63 0
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85635 49877821 1 NBr2O2H13C15 AB2C2D13E15 -32.04 9.06 -8.44 -1.37 0
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85636 49877822 2 ClNO2H9C11 ABC2D9E11 -64.98 5.3 -8.64 -1.41 0
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85637 49877824 1 BrN2O3H19C25 AB2C3D19E25 29.5 12.02 -8.44 -1.45 0
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85638 49877825 1 ClON4H17C25 ABC4D17E25 110.75 2.32 -8.54 -1.4 0
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85639 49877826 1 BrN7O8H28C36 AB7C8D28E36 73.22 1.83 -8.79 -1.93 0
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85640 49877827 1 O2N7C18H23 A2B7C18D23 29.12 7.1 -8.77 -1.01 0
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85641 49877828 1 NOC28H37 ABC28D37 -86.2 2.99 -8.53 0.25 0
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85642 49877831 1 SN2O4H20C26 AB2C4D20E26 -30.16 6.06 -8.85 -1.62 0
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85643 49877832 1 O2N3H19C22 A2B3C19D22 26.65 6.39 -8.01 -1.12 0
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85644 49877835 1 ClFON2H22C26 ABCD2E22F26 0.32 3.52 -9.01 -1.47 0
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85645 49877841 1 N3O4H21C23 A3B4C21D23 -57.89 3.25 -8.32 -1.19 0
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85646 49877847 1 N3O5H25C26 A3B5C25D26 -71.26 3.63 -8.52 -1.36 0
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85647 49877849 1 ON7H11C12 AB7C11D12 109.89 3.76 -9.15 -1.22 0
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85648 49877852 2 NS2O3C16H17 AB2C3D16E17 -153.81 15.86 -8.47 -2.04 0
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85649 49877854 1 O2N3H19C20 A2B3C19D20 10.74 3.35 -8.81 -1.07 0
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85650 49877876 1 ClNSO3H12C16 ABCD3E12F16 -51.32 2.35 -8.95 -0.76 0
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85651 49877879 1 ISN2O3H17C22 ABC2D3E17F22 51.08 3.9 -8.67 -1.51 0
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85652 49877880 1 BrClFON2H15C23 ABCDE2F15G23 21.09 3.44 -9.25 -1.58 0
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85653 49877881 1 BrFION2H15C23 ABCDE2F15G23 45.98 3.02 -9.2 -1.59 0
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85654 49877882 1 BrFON2H18C24 ABCD2E18F24 19.25 2.33 -8.99 -1.43 0
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85655 49877883 1 BrON2H17C23 ABC2D17E23 72.66 4.16 -8.87 -1.16 0
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85656 49877884 1 ClFON2H24C27 ABCD2E24F27 -8.94 3.08 -9.02 -1.42 0
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85657 49877885 1 OF2N2H22C26 AB2C2D22E26 -37.51 3.63 -9.0 -1.48 0
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85658 49877886 1 ClON2H27C28 ABC2D27E28 27.6 3.7 -8.74 -1.23 0
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85659 49877887 1 ON2C29H30 AB2C29D30 29.24 3.58 -8.59 -1.08 0
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85660 49877889 1 FON2H27C28 ABC2D27E28 -8.56 4.85 -8.83 -1.27 0
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85661 49877894 1 SN3O7H23C28 AB3C7D23E28 -86.57 7.66 -8.86 -1.86 0
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85662 49877899 1 ON2H20C24 AB2C20D24 62.26 2.16 -8.86 -1.16 0
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85663 49877900 1 O3N5H15C17 A3B5C15D17 39.31 10.17 -9.27 -1.28 0
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85664 49877905 1 BrN3O4H24C29 AB3C4D24E29 -35.4 5.05 -8.8 -1.19 0
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85665 49877906 1 ION3H16C24 ABC3D16E24 116.52 1.07 -8.78 -1.24 0
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85666 49877907 1 BrN3O4H14C22 AB3C4D14E22 35.48 11.48 -9.19 -1.58 0
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85667 49877912 1 ON4H22C26 AB4C22D26 114.35 3.4 -8.91 -0.9 0
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85668 49877915 1 O5N7C17H19 A5B7C17D19 -81.03 10.47 -8.79 -0.97 0
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85669 49877926 1 BrSN3O6C30H34 ABC3D6E30F34 -176.15 8.21 -8.55 -1.16 0
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85670 49877931 1 BrO2N4C14H15 AB2C4D14E15 8.09 6.04 -8.81 -1.31 1
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85671 49877946 1 O2N4C20H27 A2B4C20D27 53.41 23.91 0.0 0.0 1
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85672 49877947 1 O2N4C14H23 A2B4C14D23 28.61 6.48 0.0 0.0 0
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85673 49877950 1 BrSN2O6C27H27 ABC2D6E27F27 -158.01 4.48 -8.75 -1.23 0
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85674 49877951 1 BrSN2O6C27H27 ABC2D6E27F27 -156.63 6.08 -8.73 -1.17 0
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85675 49877975 1 S2O3N4C27H28 A2B3C4D27E28 -32.66 7.97 -8.77 -1.43 0
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85676 49877976 1 S2O3N4C20H22 A2B3C4D20E22 -53.09 7.66 -8.6 -1.38 0
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85677 49878020 1 FN2O5C25H25 AB2C5D25E25 -191.69 8.04 -8.97 -1.09 0
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85678 49878021 1 FN2O5H23C25 AB2C5D23E25 -160.24 8.5 -9.01 -1.04 0
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85679 49878023 3 NO2C10H11 AB2C10D11 -183.81 10.45 -8.77 -1.06 0
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85680 49878024 1 FN2O5C26H27 AB2C5D26E27 -194.06 7.0 -9.04 -1.04 0
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85681 49878044 1 N2O6C27H28 A2B6C27D28 -162.78 9.89 -9.14 -1.12 0
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85682 49878049 1 N3O5C26H29 A3B5C26D29 -137.81 8.61 -8.9 -0.9 0
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85683 49878055 2 NO3C13H13 AB3C13D13 -170.09 10.42 -8.88 -0.59 0
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85684 49878060 1 N2O6C27H28 A2B6C27D28 -159.38 6.44 -8.84 -0.95 0
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85685 49878131 2 NO3C12H12 AB3C12D12 -164.64 11.87 -9.01 -0.67 0
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85686 49878158 2 NO3C14H15 AB3C14D15 -190.28 8.64 -8.89 -0.94 0
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85687 49878178 2 NO3C15H16 AB3C15D16 -175.75 11.34 -9.09 -1.01 0
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85688 49878213 1 SN4O4C18H22 AB4C4D18E22 -13.65 6.27 -8.11 -1.57 0
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85689 49878214 1 O2N3C14H19 A2B3C14D19 -58.13 2.35 -8.82 -0.83 0
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85690 49878257 1 Br2N3O4H17C18 A2B3C4D17E18 -94.43 6.49 -8.72 -1.3 0
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85691 49878261 1 BrNO3C18H18 ABC3D18E18 -80.15 7.96 -8.66 -1.47 0
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85692 49878267 1 ClN4O4C16H21 AB4C4D16E21 -141.91 5.81 -8.63 -0.6 0
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85693 49878268 1 ON3H23C26 AB3C23D26 69.29 4.82 -8.18 -0.42 0
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85694 49878273 1 N4O4C15H16 A4B4C15D16 -108.13 3.18 -9.54 -1.54 0
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85695 49878274 1 N5O6H9C15 A5B6C9D15 80.82 3.48 -9.94 -2.53 0
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85696 49878305 1 BrSN3O6C26H30 ABC3D6E26F30 -188.86 5.14 -8.69 -0.72 0
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85697 49878325 1 BrSN4O4C26H33 ABC4D4E26F33 -82.87 6.69 -8.3 -0.84 0
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85698 49878329 1 ClSN4O4H33C34 ABC4D4E33F34 -87.29 4.21 -8.28 -1.19 0
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85699 49878330 1 BrSN3O5H16C18 ABC3D5E16F18 -52.29 13.89 -9.0 -1.12 0
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85700 49878340 1 BrSN4O4C25H33 ABC4D4E25F33 -109.35 6.65 -8.47 -0.71 0
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85701 49878344 1 BrClSN3O5H21C27 ABCD3E5F21G27 -102.71 7.7 -8.45 -1.47 0
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85702 49878353 1 ClSO2N4H29C32 ABC2D4E29F32 -7.92 3.78 -8.34 -1.08 0
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85703 49878359 1 BrClSO2N4H24C31 ABCD2E4F24G31 15.35 0.77 -8.37 -1.39 0
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85704 49878383 1 F3O3N4H19C21 A3B3C4D19E21 -175.63 4.04 -9.17 -1.83 0
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85705 49878401 1 BrClSN4O6H30C32 ABCD4E6F30G32 -178.23 7.64 -8.62 -1.58 0
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85706 49878407 1 BrSN3O4C27H34 ABC3D4E27F34 -143.65 8.31 -9.08 -0.74 0
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85707 49878412 1 BrSN3O5C25H30 ABC3D5E25F30 -171.08 4.67 -8.2 -0.73 0
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85708 49878413 1 BrSN3O4C26H32 ABC3D4E26F32 -142.24 8.7 -8.88 -0.72 0
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85709 49878420 1 BrSF3N3O4C24H25 ABC3D3E4F24G25 -284.59 12.15 -9.35 -1.0 0
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85710 49878423 1 BrSN4O4C28H35 ABC4D4E28F35 -117.91 8.61 -8.62 -0.73 0
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85711 49878427 1 BrSF2N3O4C23H24 ABC2D3E4F23G24 -215.69 3.49 -8.93 -0.73 0
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85712 49878439 1 ClSN5C25H30 ABC5D25E30 51.27 6.37 -8.36 -0.84 0
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85713 49878445 1 FON4H11C13 ABC4D11E13 2.64 2.1 -9.41 -1.1 0
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85714 49878447 1 ON5C17H17 AB5C17D17 64.14 2.89 -8.63 -0.9 0
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85715 49878448 1 S2N3O3C20H29 A2B3C3D20E29 -119.44 6.68 -9.08 -1.3 0
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85716 49878458 2 N2O2C9H9 A2B2C9D9 -46.12 8.1 -9.22 -1.04 0
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85717 49878460 2 NOC5H6 ABC5D6 -62.72 1.42 -8.82 -0.64 0
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85718 49878470 2 NOSC10H14 ABCD10E14 -76.22 5.71 -8.81 -0.96 0
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85719 49878475 1 NO3C16H25 AB3C16D25 -150.25 5.53 -9.69 -0.75 0
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85720 49878485 1 N3O4C18H19 A3B4C18D19 -97.11 4.78 -8.84 -0.61 0
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85721 49878496 1 N2O3C16H18 A2B3C16D18 -95.16 3.92 -9.46 -1.3 0
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85722 49878497 1 O2N5C17H21 A2B5C17D21 -29.36 5.54 -8.72 -0.72 0
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85723 49878498 1 N3O4C18H23 A3B4C18D23 -153.66 4.01 -9.36 -1.16 0
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85724 49878504 1 ClFON5H23C25 ABCD5E23F25 7.46 3.5 -8.75 -0.65 0