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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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29723 836728 1 N2S2O3C16H16 A2B2C3D16E16 -59.86 5.09 -8.22 -0.92 0
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29724 836729 1 FNO2H10C13 ABC2D10E13 -81.37 3.88 -8.66 -0.62 0
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29725 836739 1 ClNO2F3H11C15 ABC2D3E11F15 -200.96 7.15 -9.46 -0.87 0
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29726 836749 1 NOCl2F3H8C14 ABC2D3E8F14 -171.21 2.59 -9.4 -1.33 0
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29727 836753 1 N2O2H18C19 A2B2C18D19 -23.72 3.4 -8.52 -0.71 0
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29728 836755 1 SN2O2C18H18 AB2C2D18E18 -27.45 5.15 -8.78 -0.54 0
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29729 836758 1 NSO3C7H9 ABC3D7E9 -108.81 4.19 -8.96 0.02 1
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29730 836760 1 N2C15H15 A2B15C15 71.42 1.7 0.0 0.0 0
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29731 836777 1 SO3H8C11 AB3C8D11 -62.87 4.08 -9.0 -1.34 0
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29732 836791 1 O2C13H18 A2B13C18 -97.38 2.08 -8.87 0.26 0
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29733 836794 1 NOC17H21 ABC17D21 -34.86 3.22 -8.87 -0.51 0
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29734 836795 2 O2C7H9 A2B7C9 -162.13 6.89 -9.39 -0.65 0
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29735 836796 2 O2C7H9 A2B7C9 -164.33 4.82 -9.36 -0.6 0
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29736 836799 1 NO2C13H19 AB2C13D19 -83.56 5.29 -9.28 -0.29 0
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29737 836802 1 NOBr2C12H15 ABC2D12E15 -39.98 3.06 -9.73 -0.99 0
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29738 836832 1 O4C15H16 A4B15C16 -119.56 1.63 -8.8 -0.76 0
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29739 836834 1 FNO3H14C20 ABC3D14E20 -87.85 5.75 -8.7 -1.4 0
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29740 836836 1 BrClON2H8C14 ABCD2E8F14 34.59 1.99 -9.41 -1.21 0
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29741 836842 1 NSO4C15H15 ABC4D15E15 -126.87 4.81 -8.96 -0.71 0
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29742 836843 1 N2O2Cl3H9C14 A2B2C3D9E14 -59.12 6.7 -9.24 -1.29 0
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29743 836844 2 O2C9H10 A2B9C10 -133.09 3.17 -8.82 -0.57 0
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29744 836846 1 O2C15H20 A2B15C20 -97.3 2.04 -8.83 0.3 0
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29745 836849 1 NSO3H13C18 ABC3D13E18 -37.57 3.67 -8.81 -1.48 0
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29746 836865 1 NOC16H19 ABC16D19 -28.9 3.51 -8.85 -0.48 0
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29747 836869 2 OC7H9 AB7C9 -88.66 2.62 -9.12 0.2 0
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29748 836870 2 O2C7H8 A2B7C8 -154.73 0.65 -9.54 -0.63 0
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29749 836872 1 NSO4C15H15 ABC4D15E15 -115.39 4.3 -9.81 -0.78 0
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29750 836873 1 OCl2N2H10C15 AB2C2D10E15 3.49 4.59 -9.17 -0.98 0
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29751 836875 2 OC6H8 AB6C8 -90.28 2.74 -9.06 0.21 0
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29752 836885 1 ON2Cl3H9C15 AB2C3D9E15 -3.66 4.72 -9.18 -0.97 0
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29753 836921 1 NSO2C11H17 ABC2D11E17 -81.01 5.17 -9.79 -0.44 0
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29754 836925 1 ClNO2H16C19 ABC2D16E19 -29.14 2.1 -8.76 -0.51 0
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29755 836930 1 NO4C16H25 AB4C16D25 -159.16 2.69 -8.44 -0.06 0
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29756 836932 1 NOC19H23 ABC19D23 -27.72 3.9 -9.36 -0.44 0
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29757 836933 1 NOC19H23 ABC19D23 -26.91 3.96 -9.42 -0.37 0
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29758 836945 1 N3O3H11C15 A3B3C11D15 -14.75 5.51 -9.85 -1.54 0
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29759 836949 1 NSO2C15H17 ABC2D15E17 -47.24 5.71 -9.31 -0.49 0
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29760 836953 1 NSO2C13H21 ABC2D13E21 -93.31 4.74 -9.77 -0.4 0
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29761 836957 1 ClOSN2C13H13 ABCD2E13F13 -16.54 2.68 -9.2 -1.05 0
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29762 836967 1 ClON5C13H14 ABC5D13E14 33.15 2.59 -8.96 -0.72 0
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29763 836968 1 ClOSN2H9C14 ABCD2E9F14 24.4 4.85 -8.8 -1.09 0
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29764 836980 1 O2N3H11C15 A2B3C11D15 38.78 1.47 -9.27 -0.93 0
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29765 837063 1 NO2H17C23 AB2C17D23 15.71 5.03 -8.52 -0.64 0
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29766 837099 1 ClN2O2C19H23 AB2C2D19E23 -59.15 2.31 -8.11 -0.43 0
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29767 837113 1 ON2C14H22 AB2C14D22 -51.23 2.56 -7.86 0.53 0
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29768 837119 1 ON2C17H26 AB2C17D26 -57.14 4.42 -7.7 0.51 0
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29769 837134 1 NO2C15H23 AB2C15D23 -84.6 3.53 -8.84 0.18 0
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29770 837135 2 NOH8C9 ABC8D9 -11.94 3.21 -8.77 -0.88 0
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29771 837139 1 SN2O2H16C17 AB2C2D16E17 -15.94 2.11 -8.95 -0.66 0
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29772 837142 2 NOH8C9 ABC8D9 -12.19 2.58 -8.72 -0.82 0
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29773 837147 1 ClSN2O2H13C16 ABC2D2E13F16 -14.8 4.71 -9.12 -0.99 0
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29774 837148 1 N2O2C15H16 A2B2C15D16 -31.6 3.6 -9.07 -0.21 0
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29775 837161 1 NO3C16H17 AB3C16D17 -76.91 3.71 -8.54 -0.06 0
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29776 837167 1 N2O2C19H24 A2B2C19D24 -52.02 2.51 -7.83 0.07 0
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29777 837196 1 NO3C16H17 AB3C16D17 -95.46 3.73 -8.63 -0.07 0
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29778 837211 1 NO2C15H15 AB2C15D15 -56.11 4.43 -8.55 -0.39 0
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29779 837221 1 NO2C18H21 AB2C18D21 -69.51 4.65 -8.58 -0.33 0
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29780 837230 1 NO3H15C16 AB3C15D16 -66.97 5.26 -9.17 -0.69 0
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29781 837234 1 NO3H19C22 AB3C19D22 -46.86 9.57 -8.91 -0.78 0
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29782 837245 1 NSO2F3H12C14 ABC2D3E12F14 -197.72 3.09 -10.03 -0.76 0
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29783 837247 1 NO2C17H17 AB2C17D17 -42.99 4.63 -9.11 -0.61 0
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29784 837252 1 BrFO2H10C17 ABC2D10E17 -55.51 4.77 -8.96 -1.19 0
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29785 837265 1 BrON3H10C15 ABC3D10E15 104.8 7.36 -8.64 -2.08 0
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29786 837269 1 NO3C19H21 AB3C19D21 -90.26 2.77 -8.96 -0.26 0
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29787 837270 1 NOCl2H15C17 ABC2D15E17 -22.99 3.9 -9.45 -0.88 0
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29788 837279 1 NO3C17H23 AB3C17D23 -138.15 5.1 -9.07 -0.59 0
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29789 837287 1 OSN2C16H20 ABC2D16E20 -33.1 3.87 -8.58 -0.42 0
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29790 837319 1 NO3C17H19 AB3C17D19 -101.72 3.94 -8.59 -0.04 0
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29791 837329 1 N2O2C15H20 A2B2C15D20 -67.2 1.99 -9.1 -0.48 0
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29792 837333 1 ClN2O2C15H15 AB2C2D15E15 -42.23 3.61 -9.06 -0.72 0
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29793 837344 1 NO5C19H19 AB5C19D19 -155.68 2.26 -8.78 -0.91 0
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29794 837346 1 ClSN2O2H15C17 ABC2D2E15F17 -24.93 4.12 -9.09 -0.98 0
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29795 837362 1 ON2Cl3C14H19 AB2C3D14E19 -75.41 3.03 -8.66 -0.43 0
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29796 837384 1 SN2O4H14C15 AB2C4D14E15 -12.38 3.69 -8.84 -1.92 0
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29797 837388 1 N3O5C13H13 A3B5C13D13 -113.9 7.51 -9.8 -1.19 0
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29798 837391 2 NOC8H9 ABC8D9 -49.55 0.71 -8.93 -0.23 0
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29799 837394 1 N3O5C13H13 A3B5C13D13 -113.9 7.62 -9.75 -1.18 0
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29800 837426 1 NO4C19H21 AB4C19D21 -142.12 3.43 -9.06 -0.68 0
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29801 837428 1 ClNF2O3H6C14 ABC2D3E6F14 -113.15 2.86 -9.3 -2.0 0
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29802 837432 1 BrNO2C16H16 ABC2D16E16 -48.1 2.53 -8.97 -0.32 0
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29803 837434 1 N2O2C15H16 A2B2C15D16 -35.6 6.21 -9.07 -0.37 0
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29804 837439 1 SN2O2C18H18 AB2C2D18E18 -24.02 2.7 -8.9 -0.63 0
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29805 837448 1 N3O3C13H15 A3B3C13D15 -102.3 4.77 -9.7 -0.66 0
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29806 837451 1 NO2C17H19 AB2C17D19 -57.32 2.3 -8.81 0.06 0
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29807 837452 1 NO3C18H19 AB3C18D19 -88.6 6.74 -9.19 -0.65 0
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29808 837455 1 N3O3C13H15 A3B3C13D15 -102.73 2.38 -9.72 -0.66 0
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29809 837461 1 ClNO2C16H16 ABC2D16E16 -56.74 4.2 -8.92 -0.36 0
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29810 837479 1 N2O3C18H20 A2B3C18D20 -96.67 5.8 -8.38 -0.11 0
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29811 837490 1 NO4C18H19 AB4C18D19 -131.71 5.48 -9.19 -0.73 0
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29812 837495 1 NO3C18H21 AB3C18D21 -91.79 4.3 -8.46 0.03 0
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29813 837496 1 NCl2O3H7C14 AB2C3D7E14 -35.42 5.66 -9.54 -2.0 0
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29814 837503 1 NO4C19H21 AB4C19D21 -138.16 4.67 -9.13 -0.61 0
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29815 837507 1 NO3C17H19 AB3C17D19 -84.72 3.96 -8.5 -0.01 0
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29816 837510 2 N2O2C7H9 A2B2C7D9 -39.98 3.66 -9.06 -1.57 0
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29817 837529 1 SN2O4C13H14 AB2C4D13E14 -94.73 7.9 -8.55 -1.48 0
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29818 837543 1 NO2C20H23 AB2C20D23 -63.18 3.8 -8.7 0.17 0
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29819 837547 2 NOC8H9 ABC8D9 -42.19 4.35 -8.84 -0.18 0
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29820 837556 1 NO2C18H21 AB2C18D21 -55.75 2.93 -8.82 0.08 0
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29821 837578 1 ClNO2C17H18 ABC2D17E18 -65.97 3.59 -8.89 -0.31 0
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29822 837580 1 NO2C18H21 AB2C18D21 -66.92 2.53 -8.76 0.1 0