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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125706 50934773 1 CoMn2N2C10O13H30 AB2C2D10E13F30 -652.15 11.09 0.0 0.0 4
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125708 50934814 2 AuNPC7H16 ABCD7E16 82.31 14.47 -7.3 -1.74 -1
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125709 50934815 1 CoO2N6C16H29 AB2C6D16E29 -18.02 22.41 -10.32 -4.72 4
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125711 50935044 1 AlS8C11H18O38 AB8C11D18E38 -1371.93 7.76 0.0 0.0 0
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125712 50935193 2 OC6H8 AB6C8 -48.85 1.76 -9.87 0.86 0
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125716 50935324 1 CrSi2O6C15H24 AB2C6D15E24 -171.94 3.79 -6.93 0.83 0
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125718 50935426 1 N2O3C15H24 A2B3C15D24 -106.93 2.54 -9.2 0.18 -2
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125720 50935438 1 CoPN14O14C63H88 ABC14D14E63F88 -480.34 1.95 -8.39 -6.4 0
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125721 50935439 1 CoPN13O15C62H90 ABC13D15E62F90 -685.96 28.88 0.0 0.0 0
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125722 50935440 1 FN2O2C22H23 AB2C2D22E23 -63.51 4.41 -8.62 -0.59 0
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125723 50935504 1 BrN2O4C25H31 AB2C4D25E31 -108.46 3.76 -8.6 -0.15 1
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125724 50935505 1 NC19H26 AB19C26 67.49 5.51 0.0 0.0 0
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125725 50935692 1 CoN2O2C20H26 AB2C2D20E26 -2.04 53.18 0.0 0.0 0
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125726 50935701 1 FeN2O4C24H32 AB2C4D24E32 51.87 8.48 -7.88 -0.72 2
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125727 50935737 1 NiO2N4C10H23 AB2C4D10E23 70.95 1.05 0.0 0.0 -2
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125728 50935757 1 CoON6C23H44 ABC6D23E44 -45.54 14.38 0.0 0.0 -1
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125734 50936290 1 VN2O6C18H21 AB2C6D18E21 -168.45 4.51 -7.34 -1.03 0
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125737 50936439 1 N2O4C22H33 A2B4C22D33 -104.78 12.46 0.0 0.0 0
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125738 50936440 2 NO2C11H16 AB2C11D16 -132.59 4.66 -8.71 -0.24 1
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125739 50936441 1 N2O4C22H35 A2B4C22D35 -114.72 16.58 0.0 0.0 0
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125740 50936442 2 NO2C11H17 AB2C11D17 -152.12 4.67 -8.82 -0.08 1
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125741 50936443 1 ON2C21H33 AB2C21D33 -29.24 4.64 0.0 0.0 1
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125742 50936500 1 NO2C10H18 AB2C10D18 -16.86 6.99 0.0 0.0 -1
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125743 50936587 1 NO4C16H16 AB4C16D16 -66.11 4.04 0.0 0.0 0
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125744 50936588 1 NO4C16H17 AB4C16D17 -125.37 6.5 -9.92 -0.41 0
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125745 50936708 1 O3C12H14 A3B12C14 -54.86 2.11 -9.64 0.17 0
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125746 50936709 1 NSO5H23C26 ABC5D23E26 -126.9 6.8 -8.62 -0.83 0
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125747 50936710 1 OSiC13H28 ABC13D28 -132.53 1.74 -8.7 1.33 0
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125748 50936712 2 N2C23H27 A2B23C27 103.07 1.04 -7.81 -0.54 0
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125749 50936713 1 O5C23H26 A5B23C26 -202.87 3.5 -8.73 -0.16 0
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125750 50936848 1 NSSiO2C21H23 ABCD2E21F23 24.78 5.88 -8.58 -0.48 0
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125751 50936901 1 O3C15H22 A3B15C22 -125.76 3.39 -9.44 -0.69 0
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125752 50936902 2 N2O2C9H14 A2B2C9D14 -82.67 9.18 -8.87 -1.41 0
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125753 50936903 1 NSO2H15C16 ABC2D15E16 5.64 6.58 -8.5 -0.56 0
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125754 50936904 1 BrO2H7C12 AB2C7D12 68.84 2.35 -9.8 -0.41 0
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125755 50937066 1 BrF2N3O5C10H12 AB2C3D5E10F12 -263.32 5.0 -9.35 -0.93 0
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125756 50937067 1 NO2C14H15 AB2C14D15 -9.61 3.21 -9.28 -0.39 0
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125757 50937068 1 O3H18C19 A3B18C19 -29.0 1.87 -7.92 -0.98 1
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125766 50937227 1 ZrO6C33H33 AB6C33D33 -62.29 5.41 0.0 0.0 -4
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125769 50937302 2 MoN2P2O6C16H30 AB2C2D6E16F30 -606.01 3.02 -6.86 -0.24 5
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125770 50937303 1 Cr2N5P5O12C37H75 A2B5C5D12E37F75 -1050.09 6.78 0.0 0.0 0
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125771 50937479 1 NO4C16H17 AB4C16D17 -141.63 6.16 -9.67 -0.22 0
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125772 50937480 1 SO4C18H24 AB4C18D24 -165.64 3.75 -9.56 -0.71 0
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125773 50937767 1 FN3O5C15H16 AB3C5D15E16 -59.2 4.7 -9.74 -1.05 0
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125774 50937768 1 SN2O3C20H28 AB2C3D20E28 -108.0 6.69 -9.16 -0.45 1
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125775 50937769 1 ON2C12H23 AB2C12D23 -52.64 2.84 0.0 0.0 0
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125776 50937826 1 SO2N3C20H25 AB2C3D20E25 -19.61 4.89 -8.36 0.02 1
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125777 50937836 1 SN3C21H34 AB3C21D34 5.84 6.33 0.0 0.0 1
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125778 50937837 1 N2O4C16H27 A2B4C16D27 -156.55 3.06 0.0 0.0 1
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125779 50937845 1 SN3C20H30 AB3C20D30 47.57 6.41 0.0 0.0 0
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125780 50937877 1 SN3O3C22H33 AB3C3D22E33 -129.21 3.69 -8.19 0.19 0
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125781 50937878 1 BrFNO3C16H17 ABCD3E16F17 -160.56 4.2 -9.2 -0.66 1
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125782 50937966 1 ClFON3C22H26 ABCD3E22F26 -56.71 2.66 0.0 0.0 2
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125783 50938006 1 ON3C19H37 AB3C19D37 -71.3 3.61 -8.6 1.06 0
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125784 50938276 1 NSO4C13H15 ABC4D13E15 -167.19 3.18 -8.95 -0.67 0
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125785 50938395 1 N2O5C24H30 A2B5C24D30 -152.08 5.8 -8.74 -0.76 0
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125786 50938497 1 ClN2O3C20H23 AB2C3D20E23 -84.79 3.16 -8.94 -0.12 -1
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125787 50938498 1 SN2O3H11C14 AB2C3D11E14 -4.62 4.71 0.0 0.0 0
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125789 50938728 1 Cl2N5O6C12H15 A2B5C6D12E15 -230.69 6.87 -8.95 -0.68 0
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125790 50938742 1 ClN2O8C35H43 AB2C8D35E43 -301.27 6.83 -8.86 -0.2 0
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125791 50938743 1 Cl2N2O8C35H44 A2B2C8D35E44 -345.77 6.6 -9.01 -0.29 0
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125792 50938744 1 ClN5C17H18 AB5C17D18 49.66 5.11 -9.18 -1.08 0
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125793 50938745 1 NO3C18H23 AB3C18D23 -97.76 4.34 -8.13 0.3 0
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125794 50938746 1 NO4C18H23 AB4C18D23 -125.66 2.37 -8.28 0.13 0
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125795 50938747 1 FCl2O2N4H23C25 AB2C2D4E23F25 -74.67 6.88 -8.32 -1.09 0
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125796 50938819 1 O7N8C32H48 A7B8C32D48 -283.13 3.49 -9.13 -0.26 0
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125798 50938988 1 FCl2O3N4H25C27 AB2C3D4E25F27 -125.04 6.56 -8.39 -1.12 0
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125799 50939095 1 O3N6H26C30 A3B6C26D30 45.27 9.47 -8.53 -0.87 0
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125800 50939119 1 Cl2N2O2H10C13 A2B2C2D10E13 -16.18 7.44 -9.1 -1.33 0
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125801 50939120 1 ClN2O2F3H10C14 AB2C2D3E10F14 -166.72 7.51 -9.1 -1.44 0
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125803 50939155 1 F3O6C22H25 A3B6C22D25 -386.74 3.8 -9.16 -0.16 0
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125804 50939224 1 FON5H14C18 ABC5D14E18 28.16 5.85 -9.0 -0.81 0
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125805 50939352 1 ClFO4N5C12H13 ABC4D5E12F13 -146.64 3.06 -9.61 -0.67 0
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125806 50939428 1 NO4H19C20 AB4C19D20 -99.52 3.53 -8.66 -0.45 0
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125807 50939515 1 SN5F6O8C35H41 AB5C6D8E35F41 -573.72 5.07 -9.03 -1.16 0
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125808 50939530 1 O5C37H50 A5B37C50 -248.16 8.08 -9.59 -0.1 0
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125809 50939531 1 NO4C33H51 AB4C33D51 -246.18 12.18 -9.52 0.13 0
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125811 50939635 1 ClOF2N5C18H18 ABC2D5E18F18 -57.28 1.88 -9.07 -0.42 0
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125812 50939636 1 ClO2F3N3H11C20 AB2C3D3E11F20 -129.16 6.28 -9.62 -1.7 1
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125813 50939637 1 ClO2F3N3H12C20 AB2C3D3E12F20 -121.51 6.4 0.0 0.0 0
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125814 50939975 1 N7O7C28H39 A7B7C28D39 -280.78 8.59 -8.54 -0.05 0
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125815 50939976 1 N11O12C41H73 A11B12C41D73 -586.9 12.03 -9.65 -1.1 0
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125816 50940255 1 ClO5N6H23C26 AB5C6D23E26 -42.98 11.24 -9.44 -0.88 0
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125817 50940451 1 SN3O3C23H25 AB3C3D23E25 -48.7 7.48 -8.77 -0.82 0
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125818 50940492 1 ON6H14C17 AB6C14D17 59.77 6.62 -8.27 -1.24 0
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125819 50940559 1 O5C26H42 A5B26C42 -252.31 4.31 -8.65 -0.02 0
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125820 50940560 1 SO2N4C16H20 AB2C4D16E20 -13.02 3.01 -9.64 -1.54 0
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125821 50940561 1 SO2N4C16H20 AB2C4D16E20 -12.56 2.64 -9.58 -1.62 0
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125822 50940641 1 SP2Na5C6H9O15 AB2C5D6E9F15 -1034.28 17.94 -8.73 0.48 0
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125823 50940642 1 SP2C6H14O15 AB2C6D14E15 -782.27 6.7 -11.08 -1.65 0
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125824 50940643 1 BrNO3C18H20 ABC3D18E20 -111.23 3.73 -9.01 -0.64 0
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125825 50940831 1 NOC14H19 ABC14D19 -34.86 3.29 -8.72 0.04 0
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125826 50940832 1 ON2C16H24 AB2C16D24 -45.05 1.59 -8.58 0.21 0
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125827 50940891 1 O2N3H17C18 A2B3C17D18 3.49 2.21 -8.69 -0.52 0
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125828 50940892 1 S2N3H17C18 A2B3C17D18 84.57 1.36 -8.38 -0.78 0
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125829 50940893 1 O2N3H17C20 A2B3C17D20 4.68 2.72 -9.58 -1.26 0
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125830 50940894 1 F2N3H11C16 A2B3C11D16 -9.49 4.14 -9.41 -0.96 0
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125831 50940895 1 Cl2N3H11C16 A2B3C11D16 66.98 4.36 -9.36 -1.06 0
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125832 50940896 1 O2N3H17C18 A2B3C17D18 10.8 4.09 -8.7 -0.35 0
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125833 50940995 2 OC8H10 AB8C10 -44.17 1.37 -9.54 0.26 0