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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125656 50932387 1 PbC3O3H7 AB3C3D7 -82.64 5.55 0.0 0.0 1
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125658 50932494 1 GeNO8C16H25 ABC8D16E25 -296.93 3.79 -7.49 -0.65 0
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125659 50932505 1 SbC6O6H12 AB6C6D12 -147.49 7.62 0.0 0.0 4
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125660 50932558 1 ClPdP4C12H33 ABC4D12E33 -11.69 2.93 -6.66 -0.28 -2
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125661 50932718 1 ClCuO4N6C13H21 ABC4D6E13F21 95.83 2.38 0.0 0.0 -1
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125662 50932719 1 STlC4H11 ABC4D11 46.13 2.79 -8.27 -1.08 8
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125663 50932791 1 C2N2P2Co3O10H22 A2B2C2D3E10F22 -896.18 26.75 0.0 0.0 0
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125664 50932815 1 CuN6C16H32 AB6C16D32 82.85 5.09 0.0 0.0 0
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125666 50932926 1 HIn2S3 AB2C3 -0.89 4.76 0.0 0.0 6
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125668 50932928 1 TlO2C5H8 AB2C5D8 -85.87 7.39 0.0 0.0 4
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125670 50932930 1 IPbO2C13H20 ABC2D13E20 -14.02 4.88 0.0 0.0 0
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125671 50932931 1 IPbO2C13H20 ABC2D13E20 -20.59 2.06 0.0 0.0 0
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125672 50932932 1 BrPbO2C13H20 ABC2D13E20 23.23 3.14 0.0 0.0 6
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125675 50933247 1 PTaN2Si2C6Cl6H18 ABC2D2E6F6G18 -352.67 4.7 -9.32 -0.94 3
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125676 50933351 1 Pt2O5C10N11H26 A2B5C10D11E26 26.48 7.35 0.0 0.0 2
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125677 50933381 1 SCu3N7O8C22H54 AB3C7D8E22F54 -114.26 13.57 -7.55 -0.39 1
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125685 50933718 1 GaH3C6O12 AB3C6D12 -511.48 4.11 -10.86 -1.65 2
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125688 50933721 1 CuN5C6H21 AB5C6D21 81.16 4.74 0.0 0.0 2
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125689 50933722 1 CuN2O6C34H54 AB2C6D34E54 -191.08 3.63 0.0 0.0 1
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125690 50933843 1 PSbN2O2Cl5C7H17 ABC2D2E5F7G17 -267.27 4.88 -10.07 -0.81 0
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125691 50933852 1 MoH2Sb8 AB2C8 221.65 4.37 -6.59 -0.38 0
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125692 50933854 1 MoH4Sb8 AB4C8 213.42 4.07 -6.78 -0.29 -5
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125694 50933856 1 CuCl2N3C12H21 AB2C3D12E21 92.44 6.68 0.0 0.0 -6
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125700 50934436 1 GeO5C28H46 AB5C28D46 -96.73 5.54 -5.95 -1.66 -19
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125702 50934517 1 SnO4F6H17C22 AB4C6D17E22 -353.16 2.79 0.0 0.0 4
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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