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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136712 52088159 1 SN3O4C26H31 AB3C4D26E31 -105.36 9.02 -8.38 -0.57 0
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136713 52088421 1 FO2N3H22C25 AB2C3D22E25 -25.62 6.53 -8.66 -0.59 0
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136714 52088907 1 FO2N4H19C24 AB2C4D19E24 16.33 2.79 -8.79 -1.09 0
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136715 52088908 1 FO2N4H23C26 AB2C4D23E26 -0.11 3.18 -8.58 -0.94 0
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136716 52088909 1 FSN3O3H16C18 ABC3D3E16F18 -97.96 1.61 -9.27 -1.32 0
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136717 52089076 1 BrFSN2O5H20C21 ABCD2E5F20G21 -165.55 7.39 -9.27 -0.92 0
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136718 52089079 1 FN2O3C24H25 AB2C3D24E25 -106.53 3.75 -9.12 -0.8 0
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136719 52089080 1 FN2O3C24H25 AB2C3D24E25 -105.89 6.35 -9.23 -0.92 0
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136720 52089081 1 FN2O4C25H27 AB2C4D25E27 -147.34 7.61 -8.92 -0.75 0
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136721 52089169 1 SN4O4H20C23 AB4C4D20E23 -82.19 5.22 -9.18 -1.78 0
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136722 52089936 1 ClN3O3H20C23 AB3C3D20E23 -59.9 7.01 -8.57 -1.24 0
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136723 52090025 1 Cl3N3O3H14C21 A3B3C3D14E21 -57.56 5.4 -8.82 -1.42 0
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136724 52090026 1 Cl2N3O3H15C21 A2B3C3D15E21 -50.12 6.8 -8.93 -1.44 0
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136725 52090061 1 ClSO3N4H13C18 ABC3D4E13F18 -18.26 5.4 -8.99 -1.4 0
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136726 52090335 1 SN3O6C26H31 AB3C6D26E31 -160.9 7.74 -8.13 -0.3 0
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136727 52090487 1 SN3O3C21H21 AB3C3D21E21 -44.49 4.04 -8.78 -0.41 0
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136728 52090488 1 SN3O3C21H21 AB3C3D21E21 -39.14 6.57 -8.94 -0.74 0
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136729 52090641 1 OSCl2N3H15C20 ABC2D3E15F20 45.26 10.91 -8.66 -1.46 0
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136730 52090912 1 SN3O7C24H27 AB3C7D24E27 -182.23 7.76 -8.17 -0.92 0
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136731 52090913 1 ClO2N3H16C18 AB2C3D16E18 5.17 5.73 -8.68 -0.82 0
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136732 52090914 1 ClO2N3H18C23 AB2C3D18E23 37.67 6.21 -8.68 -0.79 0
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136733 52090915 1 ClSN3O4H20C21 ABC3D4E20F21 -82.63 6.53 -8.9 -0.56 0
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136734 52090916 1 ClSN3O4H20C21 ABC3D4E20F21 -78.31 7.53 -8.97 -0.93 0
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136735 52091277 1 O3N6C20H20 A3B6C20D20 28.85 6.72 -8.88 -0.96 1
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136736 52091410 1 SN6C15H19 AB6C15D19 115.31 6.54 0.0 0.0 0
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136737 52091536 1 SO2N7C24H25 AB2C7D24E25 29.04 4.66 -8.49 -0.97 0
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136738 52091612 1 O2N7H19C20 A2B7C19D20 41.76 3.83 -8.78 -0.96 1
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136739 52091699 1 ON8C25H33 AB8C25D33 121.19 12.59 0.0 0.0 0
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136740 52092012 1 NO5H25C27 AB5C25D27 -85.21 5.17 -8.36 -0.7 0
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136741 52092117 1 NF3O5H22C27 AB3C5D22E27 -242.51 4.81 -8.92 -1.23 0
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136742 52092378 1 NO8H25C29 AB8C25D29 -210.88 7.8 -9.02 -0.85 0
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136743 52092379 1 NO7H27C29 AB7C27D29 -194.81 5.99 -9.04 -0.76 1
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136744 52093141 1 ON3C18H18 AB3C18D18 7.61 6.03 0.0 0.0 1
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136745 52093209 1 ClN2O2H16C17 AB2C2D16E17 -18.91 4.6 0.0 0.0 0
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136746 52093563 1 N3O3H13C16 A3B3C13D16 28.79 8.56 -8.86 -1.43 0
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136747 52093842 1 O2F3N3H10C16 A2B3C3D10E16 -171.3 4.07 -9.06 -1.62 0
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136748 52093843 1 SO2F3N3H12C16 AB2C3D3E12F16 -180.65 2.82 -8.59 -1.68 0
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136749 52093844 1 SO2F3N4H11C15 AB2C3D4E11F15 -156.05 4.83 -9.33 -1.78 0
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136750 52094314 1 ClF2N2O2H11C17 AB2C2D2E11F17 -119.43 8.28 -8.8 -1.25 0
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136751 52094315 1 ClFN2O2H12C17 ABC2D2E12F17 -77.16 9.28 -8.61 -1.28 0
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136752 52094541 1 ClON2F3H12C19 ABC2D3E12F19 -124.03 5.28 -9.42 -1.29 0
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136753 52094542 1 SF3N3O3H16C20 AB3C3D3E16F20 -182.93 4.54 -9.57 -1.41 0
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136754 52094802 1 Cl2N2O2H12C17 A2B2C2D12E17 -21.17 4.02 -9.39 -1.16 0
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136755 52094803 1 ClN2O3H17C20 AB2C3D17E20 -38.07 9.85 -8.76 -1.13 0
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136756 52094818 1 ClN2O2H15C18 AB2C2D15E18 -23.01 6.21 -9.2 -1.0 0
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136757 52095625 1 O2N4H20C21 A2B4C20D21 -19.47 10.22 -9.18 -2.11 0
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136758 52095890 1 SO3N6H22C23 AB3C6D22E23 92.54 6.07 -9.43 -1.67 0
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136759 52095891 1 SO2N5C23H23 AB2C5D23E23 64.26 3.82 -8.93 -1.23 0
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136760 52096162 1 SN5O5H11C17 AB5C5D11E17 52.81 4.27 -9.08 -1.85 0
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136761 52096276 1 SN4O4H16C24 AB4C4D16E24 33.47 4.73 -9.24 -1.37 0
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136762 52096404 1 O3N5C27H31 A3B5C27D31 -24.02 8.5 -8.75 -1.12 0
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136763 52096456 1 FO4N5H22C23 AB4C5D22E23 -80.59 6.87 -8.77 -1.22 0
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136764 52096463 1 O3N5C22H27 A3B5C22D27 -49.18 8.25 -8.64 -1.27 0
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136765 52096655 1 FSO2N6C25H25 ABC2D6E25F25 -21.83 5.2 -8.56 -1.61 0
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136766 52097025 1 SN3O3H23C24 AB3C3D23E24 -57.07 8.36 -8.99 -1.57 0
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136767 52097101 1 ClN3O3H22C23 AB3C3D22E23 -26.25 4.56 -8.98 -0.69 0
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136768 52097184 1 SN4O5H14C18 AB4C5D14E18 -47.76 7.89 -9.27 -1.81 0
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136769 52097962 1 FS2O3N5H18C20 AB2C3D5E18F20 -29.9 7.0 -8.85 -1.15 0
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136770 52098022 1 S2N4O5H22C23 A2B4C5D22E23 -46.76 3.87 -8.54 -1.38 0
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136771 52098239 1 SO3N5C26H27 AB3C5D26E27 25.74 3.69 -8.51 -1.12 0
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136772 52098281 1 SO4N6H20C22 AB4C6D20E22 64.48 9.87 -9.12 -1.73 0
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136773 52098282 1 BrSO2N5H14C15 ABC2D5E14F15 57.94 6.46 -9.03 -1.47 0
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136774 52098434 1 ClS2N4O4H17C20 AB2C4D4E17F20 -18.86 6.09 -9.03 -1.8 0
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136775 52098765 1 N3O7H23C25 A3B7C23D25 -159.79 4.18 -8.87 -0.86 0
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136776 52098766 1 N3O7H23C25 A3B7C23D25 -158.68 3.81 -8.85 -0.79 0
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136777 52099463 1 ClSN3O5H22C24 ABC3D5E22F24 -147.52 1.98 -8.26 -1.0 0
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136778 52099464 1 ClSN3O5H22C24 ABC3D5E22F24 -146.37 3.97 -8.58 -1.08 0
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136779 52099465 1 ClSN4O5H17C22 ABC4D5E17F22 -71.92 6.0 -9.17 -1.51 0
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136780 52099466 1 ClSN4O5H17C22 ABC4D5E17F22 -71.47 6.2 -9.31 -1.39 0
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136781 52099530 1 OCl2S2N3C18H19 AB2C2D3E18F19 -14.43 6.44 -8.66 -0.53 0
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136782 52099686 1 SO2N4C20H20 AB2C4D20E20 -16.21 2.9 -8.59 -0.81 -1
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136783 52099687 1 SO2N4H19C20 AB2C4D19E20 1.66 3.86 0.0 0.0 0
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136784 52099906 1 ClSN2O5H21C24 ABC2D5E21F24 -132.58 9.57 -8.87 -0.92 0
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136785 52099907 1 ClSN2F3O3H16C23 ABC2D3E3F16G23 -216.9 7.32 -9.08 -1.47 0
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136786 52100439 1 SN3O3H19C21 AB3C3D19E21 -37.73 3.77 -9.36 -0.98 -1
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136787 52100440 1 S2O3N4H9C14 A2B3C4D9E14 -5.6 6.41 0.0 0.0 0
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136788 52100441 1 S2O3N4H10C14 A2B3C4D10E14 -36.05 3.88 -8.74 -1.42 -1
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136789 52100442 1 SCl2N3O4H12C19 AB2C3D4E12F19 -56.6 3.13 0.0 0.0 -1
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136790 52100460 1 SN3O5C14H18 AB3C5D14E18 -159.8 2.92 0.0 0.0 0
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136791 52100560 1 NSO5H13C18 ABC5D13E18 -118.19 5.72 -8.64 -1.46 0
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136792 52100698 1 BrSN2O2C13H13 ABC2D2E13F13 -26.18 5.97 -9.06 -0.88 0
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136793 52101618 2 NSO3C9H12 ABC3D9E12 -214.34 4.19 -10.05 -1.33 0
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136794 52101717 1 SO4N5H13C14 AB4C5D13E14 -4.99 4.91 -9.25 -1.84 0
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136795 52101785 1 ClON5H24C26 ABC5D24E26 90.78 6.37 -8.36 -0.56 1
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136796 52101786 1 ClON5H25C26 ABC5D25E26 98.88 5.42 0.0 0.0 0
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136797 52102066 1 SN4O4C26H32 AB4C4D26E32 -114.63 5.1 -8.6 -0.89 0
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136798 52102090 1 SF2O4N5H15C17 AB2C4D5E15F17 -177.62 6.17 -9.52 -1.06 0
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136799 52102555 1 S2N4O7C22H30 A2B4C7D22E30 -267.89 7.9 -9.81 -0.98 -1
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136800 52102556 1 SN4O4C24H27 AB4C4D24E27 -95.46 12.18 0.0 0.0 0
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136801 52102557 1 SN4O4C24H28 AB4C4D24E28 -138.91 11.12 -8.67 -0.6 0
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136802 52102882 1 FN3O3C22H26 AB3C3D22E26 -110.4 3.54 -8.76 -0.12 0
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136803 52102983 1 OSF3N3H14C18 ABC3D3E14F18 -120.86 3.97 -9.12 -1.03 0
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136804 52103137 1 NS2F3O3C24H24 AB2C3D3E24F24 -210.21 5.09 -8.99 -0.83 0
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136805 52103347 1 SO2N5H23C26 AB2C5D23E26 87.84 7.43 -9.0 -1.19 -1
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136806 52103804 1 SN3O3H22C27 AB3C3D22E27 49.77 5.75 0.0 0.0 0
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136807 52104507 2 ON2C8H10 AB2C8D10 -4.3 3.33 -9.64 -0.64 1
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136808 52104791 1 O2N5C17H26 A2B5C17D26 -23.37 5.86 0.0 0.0 0
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136809 52105004 1 N3O3C16H25 A3B3C16D25 -93.77 3.9 -9.53 -0.13 0
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136810 52105005 1 N3O3C16H25 A3B3C16D25 -96.17 3.89 -9.6 -0.13 0
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136811 52105206 1 O3N5C17H19 A3B5C17D19 -3.83 2.85 -8.4 -0.18 0