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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327677 126690705 1 SO3N4C17H22 AB3C4D17E22 -81.28 0.95 -9.47 -1.08 0
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327678 126690709 1 BrON2C12H15 ABC2D12E15 -4.43 3.96 -9.67 -0.78 0
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327679 126690714 1 O3N5C18H23 A3B5C18D23 -76.29 1.46 -8.7 -0.36 0
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327680 126690726 2 NH3C4 AB3C4 142.63 3.0 -8.78 -0.69 0
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327681 126690729 1 SO3N5C16H19 AB3C5D16E19 -63.41 2.05 -9.28 -1.02 0
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327682 126690730 1 SF2O2N5H13C18 AB2C2D5E13F18 -55.13 5.55 -8.56 -1.56 0
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327683 126690737 1 ClC6N6H7 AB6C6D7 106.26 1.5 -9.55 -0.74 0
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327684 126690741 1 O7H8C12 A7B8C12 -113.4 5.52 -9.73 -2.35 0
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327685 126690743 1 O2C17H26 A2B17C26 -64.93 2.22 -10.16 0.99 0
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327686 126690745 1 BrN2C7H7 AB2C7D7 46.66 2.89 -8.42 0.24 0
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327687 126690748 1 ClO7H19C24 AB7C19D24 -222.56 4.4 -9.22 -0.97 0
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327688 126690749 1 NF5O7H18C29 AB5C7D18E29 -392.55 4.96 -9.23 -1.46 0
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327689 126690750 1 NO7H21C24 AB7C21D24 -210.44 6.01 -8.74 -0.65 0
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327690 126690752 1 NO7H19C24 AB7C19D24 -212.9 14.44 -8.9 -1.6 0
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327691 126690756 1 SCl2N4O9C31H32 AB2C4D9E31F32 -277.09 18.15 -8.74 -0.82 0
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327692 126690757 1 ClN2C7H7 AB2C7D7 46.47 1.4 -10.39 -0.85 0
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327693 126690758 1 FNCl2C8H10 ABC2D8E10 -31.91 3.92 -9.68 -1.01 0
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327694 126690759 1 ClFO2N4C8H10 ABC2D4E8F10 -25.35 5.08 -9.1 -1.52 0
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327695 126690763 1 NSC11H15 ABC11D15 33.64 3.49 -8.06 0.38 0
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327696 126690764 1 BrN3C7H10 AB3C7D10 49.25 3.82 -8.29 -0.37 0
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327697 126690765 1 SO3N5C19H27 AB3C5D19E27 -82.58 5.38 -9.43 -1.01 0
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327698 126690767 1 ClFN3C15H17 ABC3D15E17 30.01 4.57 -9.45 -0.77 0
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327699 126690773 1 ClO2N4H5C7 AB2C4D5E7 56.47 2.63 -9.67 -1.84 0
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327700 126690774 1 NC12H17 AB12C17 6.86 2.47 -9.16 0.18 0
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327701 126690779 1 ClOF4N6C18H21 ABC4D6E18F21 -131.71 3.64 -8.81 -0.58 0
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327702 126690780 1 FCl2N2H3C5 AB2C2D3E5 0.83 2.23 -10.31 -1.71 0
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327704 126690799 1 FON2C24H31 ABC2D24E31 -53.25 3.55 -8.22 -0.13 1
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327705 126690813 1 SN2O2H23C26 AB2C2D23E26 29.22 3.53 0.0 0.0 0
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327706 126690814 1 SN2O2H22C26 AB2C2D22E26 36.1 7.08 -7.86 -0.47 1
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327707 126690817 1 SN3H32C34 AB3C32D34 119.7 3.14 0.0 0.0 0
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327708 126690820 1 BrON2C12H15 ABC2D12E15 -9.12 3.28 -9.39 -0.86 0
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327709 126690827 1 SO2H24C26 AB2C24D26 -14.59 3.46 -8.56 -1.13 0
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327710 126690829 1 O2C13H18 A2B13C18 -73.93 2.37 -8.98 -0.11 0
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327711 126690836 1 O5H12C14 A5B12C14 -65.11 2.07 -8.75 -0.99 0
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327712 126690838 2 O3H5C6 A3B5C6 -78.84 4.55 -9.61 -2.0 0
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327713 126690841 1 O3C12H14 A3B12C14 -92.6 1.43 -8.57 -0.54 0
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327714 126690843 1 NCl2O2H17C18 AB2C2D17E18 -40.67 7.59 -8.78 -1.91 0
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327715 126690844 1 OSC18H24 ABC18D24 -39.19 3.43 -8.36 -0.38 0
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327716 126690875 1 ClIN2C5H6 ABC2D5E6 32.21 4.84 -9.34 -1.92 0
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327717 126690876 2 NO2C10H14 AB2C10D14 -170.36 4.01 -8.69 0.16 0
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327718 126690879 1 ClNH14C16 ABC14D16 53.06 1.03 -8.2 0.12 0
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327719 126690880 1 ON3C23H37 AB3C23D37 -32.83 1.58 -8.06 0.38 0
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327720 126690881 1 NOC17H19 ABC17D19 16.23 1.07 -7.73 0.36 0
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327721 126690883 1 Br2N3C8H11 A2B3C8D11 54.14 3.81 -9.06 -0.05 0
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327722 126690886 1 BrNH16C17 ABC16D17 56.94 1.77 -7.9 -0.67 0
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327723 126690890 1 ON2C15H22 AB2C15D22 2.65 3.89 -7.46 -0.11 0
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327725 126690893 1 ON2C15H22 AB2C15D22 -9.73 2.28 -8.56 0.31 0
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327727 126690901 1 O2N3C27H45 A2B3C27D45 -112.64 5.56 -8.59 0.18 0
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327729 126690911 1 SN2O3C24H34 AB2C3D24E34 -105.61 5.6 -8.5 -0.43 0
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327730 126690914 1 ClO2N4C7H7 AB2C4D7E7 28.49 2.61 -9.56 -1.79 0
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327731 126690917 1 ClO2N4C8H13 AB2C4D8E13 -39.41 5.61 -9.12 -0.41 0
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327732 126690919 1 ClNSC17H26 ABCD17E26 -9.49 3.97 -8.56 -0.53 0
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327733 126690920 1 O2N5C14H15 A2B5C14D15 10.16 4.34 -8.51 -1.08 0
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327734 126690921 1 N3C15H17 A3B15C17 156.58 3.82 -8.53 -0.46 0
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327735 126690924 1 N2O3F6H20C22 A2B3C6D20E22 -383.24 7.07 -9.18 -1.07 0
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327736 126690925 1 NC17H17 AB17C17 52.19 1.93 -7.81 0.21 0
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327737 126690928 1 BrN2C7H7 AB2C7D7 104.16 1.07 -8.57 -0.54 0
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327738 126690931 1 N3H19C20 A3B19C20 96.32 4.35 -7.96 0.3 0
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327739 126690932 2 NC8H8 AB8C8 61.69 2.14 -7.98 -0.24 1
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327740 126690933 1 SO2N3H26C29 AB2C3D26E29 89.47 4.18 0.0 0.0 0
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327741 126690935 1 N3C20H23 A3B20C23 71.16 1.97 -7.77 0.31 1
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327742 126690938 1 OSN2H27C33 ABC2D27E33 102.09 2.97 0.0 0.0 1
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327743 126690942 1 SO3N4C38H39 AB3C4D38E39 5.44 5.57 0.0 0.0 0
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327744 126690948 1 NF3O8H24C25 AB3C8D24E25 -419.53 2.98 -8.83 -0.38 0
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327745 126690950 1 ON2H38C54 AB2C38D54 221.55 1.46 -7.83 -0.79 0
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327746 126690951 2 OC7H8 AB7C8 -33.36 1.02 -8.55 -0.4 0
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327747 126690954 1 O2N3F6C14H15 A2B3C6D14E15 -367.75 3.81 -9.44 -0.55 0
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327748 126690957 1 O3C11H14 A3B11C14 -110.07 4.54 -9.69 0.68 0
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327749 126690963 1 N3O3F6C20H21 A3B3C6D20E21 -365.51 7.69 -9.06 -0.79 0
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327750 126690967 1 ISN2O2F3C7H10 ABC2D2E3F7G10 -216.16 3.49 -9.42 -2.12 0
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327751 126690969 1 OF3C8H11 AB3C8D11 -214.87 3.38 -11.07 1.44 0
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327752 126690970 2 O3F6C16H19 A3B6C16D19 -888.05 2.05 -9.33 -0.46 0
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327753 126690976 1 NO3C19H27 AB3C19D27 -83.36 2.28 -8.03 -0.28 0
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327754 126690979 1 SO3C11H16 AB3C11D16 -123.2 4.28 -9.68 -0.18 0
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327755 126690980 1 N2C21H30 A2B21C30 10.66 2.38 -9.02 0.11 0
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327756 126690981 1 O3C22H26 A3B22C26 -114.76 6.29 -9.39 -0.01 0
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327757 126690983 1 NO6C9H13 AB6C9D13 -251.44 6.02 -9.33 -0.14 0
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327758 126690986 1 SCl2N4O9C32H32 AB2C4D9E32F32 -252.87 11.67 -9.21 -1.32 0
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327759 126690987 1 FON3C16H24 ABC3D16E24 -62.84 1.67 -8.29 0.28 0
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327761 126690989 1 IN3H6C7 AB3C6D7 70.33 4.36 -8.6 -2.9 0
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327762 126690995 1 FO2N3C17H26 AB2C3D17E26 -110.56 1.38 -8.28 0.32 0
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327763 126691000 2 O5C17H19 A5B17C19 -305.45 3.91 -8.4 -0.26 0
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327764 126691002 1 SN3O4C17H21 AB3C4D17E21 -33.88 3.32 -8.48 -1.07 0
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327765 126691012 2 NC8H9 AB8C9 98.5 3.99 -8.54 0.01 1
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327766 126691013 1 ClSN2O3H28C33 ABC2D3E28F33 4.13 4.32 0.0 0.0 0
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327767 126691025 1 SN3O3F6C16H17 AB3C3D6E16F17 -420.02 7.37 -8.52 -0.57 0
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327768 126691030 2 O4C19H19 A4B19C19 -218.53 2.05 -8.72 -0.73 0
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327769 126691032 1 O5H22C30 A5B22C30 -92.42 2.66 -8.72 -1.48 0
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327770 126691034 1 PBr2N2O3C17H31 AB2C2D3E17F31 -221.07 3.49 -8.53 -0.21 0
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327771 126691036 1 OSC32H64 ABC32D64 -181.62 2.17 -8.56 0.33 0
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327772 126691037 1 ON2H38C53 AB2C38D53 209.53 1.92 -7.8 -0.67 0
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327773 126691038 2 NH23C34 AB23C34 266.34 2.09 -7.94 -0.65 0
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327774 126691039 1 FON3C16H24 ABC3D16E24 -70.55 3.94 -8.03 0.53 0
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327775 126691041 1 OPN3H30C40 ABC3D30E40 161.38 5.13 -8.33 -0.91 0
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327776 126691042 1 NH43C58 AB43C58 214.28 1.7 -8.1 -0.39 0
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327777 126691044 1 SN2H40C56 AB2C40D56 224.11 2.44 -8.0 -0.52 0
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327778 126691045 1 NOSH31C46 ABCD31E46 206.71 2.72 -8.09 -0.62 0
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327779 126691048 1 FNOH36C51 ABCD36E51 121.11 2.71 -8.0 -0.58 0
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327780 126691049 1 SN2H40C55 AB2C40D55 242.1 1.94 -7.83 -0.65 0
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327781 126691050 1 SN2H40C53 AB2C40D53 242.33 1.48 -7.88 -0.41 0