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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11736 120099 1 OC14H26 AB14C26 -93.18 3.28 -9.82 0.82 0
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11737 120100 2 O3H5C7 A3B5C7 -131.81 4.87 -7.87 -1.77 0
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11738 120109 1 ClO2C16H19 AB2C16D19 -104.43 6.2 -9.41 -0.35 0
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11739 120110 1 OC14H28 AB14C28 -85.05 2.36 -9.94 1.38 0
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11740 120150 2 N2O2C17H17 A2B2C17D17 -7.61 11.86 -8.44 -0.96 0
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11741 120154 2 OC5H10 AB5C10 -120.46 0.54 -10.25 1.08 0
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11742 120156 5 NC2H3 AB2C3 37.06 2.93 -8.48 0.17 0
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11743 120235 1 FO2C5H9 AB2C5D9 -153.63 4.96 -11.01 0.68 0
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11744 120239 1 SP2O5C6H16 AB2C5D6E16 -342.53 5.96 -9.33 0.07 0
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11745 120311 1 PO2C9H17 AB2C9D17 -124.06 2.53 -9.66 0.91 0
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11746 120313 1 NS2O4C7H9 AB2C4D7E9 -132.65 1.63 -10.59 -1.33 0
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11747 120358 1 PCl3O4C10H12 AB3C4D10E12 -249.85 4.57 -9.38 -0.55 0
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11748 120365 1 ClNPO6C12H17 ABCD6E12F17 -248.46 7.16 -10.27 -1.38 0
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11749 120390 1 ClO4C11H15 AB4C11D15 -169.87 3.17 -9.09 -0.31 0
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11750 120403 2 ClSN2C8H8 ABC2D8E8 61.22 5.57 -9.03 -0.81 0
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11751 120421 1 SCl2C3N3H11 AB2C3D3E11 -60.35 6.41 -9.66 -0.53 0
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11752 120423 1 N3C5H15 A3B5C15 10.76 3.27 -8.77 2.63 0
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11754 120477 1 BrPO2N3C11H13 ABC2D3E11F13 -56.78 4.76 -9.81 -0.91 0
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11755 120482 1 ClON2C16H27 ABC2D16E27 -94.84 5.58 -9.02 0.29 0
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11756 120519 1 ClON2C9H11 ABC2D9E11 -33.4 1.96 -8.44 -0.42 0
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11757 120542 1 N2O3C16H20 A2B3C16D20 -116.99 3.2 -9.7 -0.16 0
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11758 120549 1 N2C21H22 A2B21C22 71.46 1.69 -8.14 -0.49 0
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11759 120554 1 ClN2O4C22H31 AB2C4D22E31 -144.85 3.4 -8.03 0.0 0
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11760 120571 1 N5H7O7C11 A5B7C7D11 -83.85 1.58 -10.04 -2.56 0
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11761 120572 1 ClON2H17C18 ABC2D17E18 -18.35 5.66 -9.72 -1.07 0
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11762 120634 1 NO2C18H27 AB2C18D27 -91.21 1.89 -8.77 0.48 0
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11763 120635 1 N2O3C21H26 A2B3C21D26 -107.78 2.37 -8.18 0.15 0
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11764 120648 1 N2O4H10C13 A2B4C10D13 -127.16 5.93 -10.49 -1.73 0
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11765 120650 1 SN2O4H20C21 AB2C4D20E21 -105.41 5.54 -9.58 -0.63 0
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11766 120668 1 SN2O3C20H24 AB2C3D20E24 -97.33 1.95 -8.21 0.04 0
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11767 120672 1 SCl2N2O2C8H8 AB2C2D2E8F8 -72.35 7.18 -9.15 -0.96 0
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11768 120696 1 N2O4C29H33 A2B4C29D33 -9.04 4.62 0.0 0.0 1
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11769 120697 2 O2H6C7 A2B6C7 -127.98 9.11 -8.87 -1.08 0
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11770 120726 1 NO7C24H39 AB7C24D39 -208.52 5.18 -8.42 1.66 0
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11771 120791 1 N3O10C25H29 A3B10C25D29 -387.97 10.14 -9.34 -1.25 0
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11772 120866 1 NSO2C18H21 ABC2D18E21 -24.83 1.29 -8.95 -0.31 0
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11773 120877 1 NO2C20H23 AB2C20D23 -29.55 1.68 -8.95 -0.04 0
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11774 120878 1 Cl2N2O2C21H26 A2B2C2D21E26 -62.34 3.34 -8.85 -0.12 0
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11775 120893 1 BrNO3C20H24 ABC3D20E24 -15.05 2.34 -8.44 -0.17 0
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11776 120894 1 NO3C20H23 AB3C20D23 -51.28 1.77 -8.39 0.08 0
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11777 120904 1 ClNOSC18H20 ABCDE18F20 24.91 3.94 -8.93 -0.17 0
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11778 120913 1 ON2C17H22 AB2C17D22 -11.79 2.86 -8.01 0.13 0
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11779 120916 1 NF3C12H16 AB3C12D16 -155.16 4.6 -8.92 -0.4 0
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11780 120924 1 ClON2C22H27 ABC2D22E27 69.95 9.7 -8.41 -1.3 0
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11781 120929 1 NO2C17H25 AB2C17D25 -96.05 1.05 -8.81 0.23 0
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11782 120939 2 NOC13H18 ABC13D18 -65.05 3.05 -8.87 0.25 0
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11783 120951 1 ClON2H11C14 ABC2D11E14 26.75 4.86 -9.02 -0.73 0
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11784 120963 1 ClN2C22H23 AB2C22D23 55.16 3.04 -8.27 -0.47 0
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11785 120969 1 ClN2O2C20H25 AB2C2D20E25 -37.56 5.0 -8.16 0.08 0
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11786 120973 2 NOC11H13 ABC11D13 -13.96 2.28 -8.09 -0.26 0
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11787 121016 1 GeO2C5H14 AB2C5D14 -107.85 4.69 -10.7 0.68 0
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11788 121018 1 N3C7H13 A3B7C13 18.74 3.16 -8.56 1.03 0
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11789 121028 1 N2O2C11H16 A2B2C11D16 -66.78 3.06 -8.26 0.02 0
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11790 121032 1 ON2S2C12H16 AB2C2D12E16 10.32 7.26 -8.57 -0.36 0
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11791 121044 1 ClN2O2C19H21 AB2C2D19E21 -26.4 2.71 -8.66 -0.15 0
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11792 121046 1 ON3C28H31 AB3C28D31 52.0 2.29 -8.04 -0.11 0
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11793 121055 3 NH3C4 AB3C4 90.63 0.21 -10.56 -1.41 0
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11794 121085 1 NO3C20H33 AB3C20D33 -148.94 1.64 -8.7 0.11 0
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11795 121087 1 FN2O2C20H25 AB2C2D20E25 -67.92 2.14 -8.72 -0.11 0
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11796 121088 1 ClNO4C20H32 ABC4D20E32 -180.04 3.72 -8.67 0.05 0
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11797 121123 1 BrN3O4C15H22 AB3C4D15E22 -82.86 15.62 -8.61 -1.28 0
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11798 121142 1 OPS3C9H21 ABC3D9E21 -149.85 5.84 -9.26 -0.71 0
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11799 121167 2 OCl2N2C8H14 AB2C2D8E14 -122.13 7.29 -9.59 0.22 0
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11800 121177 2 ON2C11H21 AB2C11D21 19.94 0.61 -2.11 -0.89 2
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11801 121178 1 N5O7C28H31 A5B7C28D31 -176.15 3.82 -8.99 -0.89 0
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11802 121179 1 N4O4C9H12 A4B4C9D12 -119.07 5.3 -10.15 -0.84 0
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11803 121180 1 NO3C19H19 AB3C19D19 -53.14 6.38 -9.21 -0.88 0
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11804 121213 1 ClN3O3C14H18 AB3C3D14E18 -139.83 4.54 -8.94 -0.9 0
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11805 121263 1 ClO2N3C15H20 AB2C3D15E20 -110.52 5.61 -8.86 -0.94 0
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11806 121277 1 NO2C15H21 AB2C15D21 -84.26 3.26 -9.02 0.27 0
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11807 121305 1 ON3C13H19 AB3C13D19 -4.38 1.76 -9.05 0.18 0
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11808 121308 2 BrClNO2C22H24 ABCD2E22F24 -116.24 21.73 -7.55 -1.48 0
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11809 121311 2 NO2C22H25 AB2C22D25 -48.99 2.3 -7.66 -1.21 2
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11810 121329 2 ON2C13H25 AB2C13D25 -147.02 9.82 -8.32 1.24 0
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11811 121373 1 SO2N3C15H19 AB2C3D15E19 -33.58 2.6 -8.74 -1.12 0
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11813 121449 1 N6O6C15H22 A6B6C15D22 -143.18 8.27 -9.71 -0.93 0
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11814 121455 2 NO6C9H13 AB6C9D13 -517.38 6.28 -10.13 -0.43 0
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11815 121460 1 ClSN3O3C16H20 ABC3D3E16F20 -104.3 6.43 -9.01 -1.32 0
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11816 121464 1 ClNC18H22 ABC18D22 24.69 3.58 -8.72 0.06 0
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11817 121466 1 SCl2N3C12H21 AB2C3D12E21 -37.54 7.01 -9.08 -0.6 0
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11818 121468 1 ClN3O3C17H22 AB3C3D17E22 -147.61 1.82 -8.87 -0.82 0
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11819 121470 1 ClSO2N3C13H24 ABC2D3E13F24 -118.61 4.42 -8.68 -1.01 0
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11820 121471 1 SO2N3C13H23 AB2C3D13E23 -82.58 4.69 -8.87 -1.03 0
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11821 121472 1 ClSN3O3C14H18 ABC3D3E14F18 -114.64 7.22 -9.36 -1.39 0
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11822 121473 1 SN3O3C14H17 AB3C3D14E17 -73.81 3.5 -8.84 -1.23 0
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11823 121474 1 Na2O5C10H12 A2B5C10D12 -334.23 0.99 -9.13 0.99 0
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11824 121477 1 NO3C24H29 AB3C24D29 -86.72 1.26 -8.54 0.0 0
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11825 121478 1 ClNO6C17H22 ABC6D17E22 -210.46 5.09 -9.0 -0.94 0
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11826 121598 2 OC4H6 AB4C6 -77.27 2.16 -9.02 -0.25 0
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11827 121613 1 IH4C14F25 AB4C14D25 -1226.38 3.07 -10.09 -1.27 0
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11828 121624 1 OC10H10 AB10C10 -15.6 4.56 -9.43 -0.55 0
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11829 121632 1 ClO2S2N3C13H16 AB2C2D3E13F16 14.27 6.43 -9.11 -2.06 0
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11830 121633 1 O2S2N3C13H15 A2B2C3D13E15 48.57 6.03 -8.99 -2.1 0
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11831 121688 1 Cl3O4C15H19 A3B4C15D19 -187.19 3.13 -9.15 -0.8 0
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11832 121689 1 S2O3C4H10 A2B3C4D10 -142.56 3.4 -9.87 -0.72 0
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11833 121697 1 SN2O3C6H12 AB2C3D6E12 -142.06 5.32 -9.07 0.22 0
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11834 121698 1 N2O7C10H14 A2B7C10D14 -299.61 2.21 -10.33 -1.04 0
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11835 121711 2 NO2H3C5 AB2C3D5 -25.51 3.69 -9.93 -1.8 0
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11836 121723 1 BrO2C7H13 AB2C7D13 -114.42 5.69 -10.56 -0.14 0
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11837 121743 1 O6H12C13 A6B12C13 -208.23 5.51 -10.67 -1.34 0