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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335892 127254754 1 ON5C22H29 AB5C22D29 26.73 1.24 -8.54 -0.15 0
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335893 127254755 1 O4N5C12H15 A4B5C12D15 -77.85 9.58 -8.57 -0.2 0
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335894 127254756 1 N4O4H18C23 A4B4C18D23 -52.17 2.46 -9.14 -1.01 0
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335895 127254757 1 ON6C15H18 AB6C15D18 61.68 5.0 -8.6 -0.65 0
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335896 127254758 1 ON8C16H20 AB8C16D20 98.52 8.12 -9.68 -1.06 0
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335897 127254759 1 OSN7C14H15 ABC7D14E15 112.75 1.83 -9.56 -1.33 0
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335898 127254760 2 ON3H9C11 AB3C9D11 48.85 5.44 -8.08 -0.83 0
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335899 127254761 1 O2N4C21H26 A2B4C21D26 -28.95 3.52 -8.83 -0.26 0
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335900 127254762 1 OF3N6H13C15 AB3C6D13E15 -82.73 9.23 -9.51 -1.08 0
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335901 127254763 1 ClFN3O4C21H21 ABC3D4E21F21 -178.98 9.39 -9.17 -0.41 0
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335902 127254764 1 F3O3N5C16H16 A3B3C5D16E16 -190.86 7.87 -9.1 -0.74 0
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335903 127254765 2 NO2C11H11 AB2C11D11 -87.75 6.12 -8.56 -0.47 0
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335904 127254766 1 SN4O5H22C24 AB4C5D22E24 -113.21 4.86 -8.79 -0.93 0
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335905 127254767 1 N3O3C25H27 A3B3C25D27 -83.56 6.46 -8.36 -0.07 0
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335906 127254768 1 ClN2O4C15H15 AB2C4D15E15 -113.7 4.17 -8.76 -1.08 0
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335907 127254769 1 OSN4H18C19 ABC4D18E19 58.01 8.41 -8.2 -0.35 0
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335908 127254770 1 SO2N7C14H15 AB2C7D14E15 22.56 7.94 -8.68 -0.9 0
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335909 127254771 1 FO3N4H19C21 AB3C4D19E21 -25.11 5.8 -9.25 -0.97 0
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335910 127254772 1 N4O5H16C17 A4B5C16D17 -78.47 5.82 -9.12 -1.19 0
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335911 127254773 1 ON4C21H30 AB4C21D30 -7.46 4.65 -8.08 0.05 0
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335912 127254774 1 SN2O3C22H22 AB2C3D22E22 -47.13 3.01 -8.29 -0.76 0
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335913 127254775 1 N3O3C21H25 A3B3C21D25 -71.26 4.03 -8.16 0.02 0
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335914 127254776 1 BrNO4H12C16 ABC4D12E16 -122.86 9.07 -9.0 -1.11 0
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335915 127254777 1 ClO3N4C18H23 AB3C4D18E23 -112.04 4.56 -8.45 -0.06 0
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335917 127254779 1 OS2N5H13C14 AB2C5D13E14 81.34 6.02 -8.64 -1.6 0
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335918 127254780 1 SN3O3C24H29 AB3C3D24E29 -64.71 2.51 -8.33 -0.51 0
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335919 127254781 1 SN3O3H17C18 AB3C3D17E18 -35.26 6.34 -8.6 -0.94 0
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335920 127254782 1 ON8C13H20 AB8C13D20 61.54 8.26 -9.33 -0.33 0
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335921 127254783 1 ON5C17H21 AB5C17D21 36.27 3.72 -8.81 -0.86 0
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335922 127254784 1 FO2N6C19H23 AB2C6D19E23 0.21 10.84 -10.07 -1.23 0
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335923 127254785 3 ON2C6H10 AB2C6D10 -103.83 6.31 -9.94 -0.18 0
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335924 127254786 1 SO2N4C21H22 AB2C4D21E22 6.22 2.39 -8.04 -0.46 0
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335925 127254787 1 SN3O5C17H19 AB3C5D17E19 -149.79 6.23 -8.76 -1.17 0
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335926 127254788 1 ON5C22H23 AB5C22D23 52.86 6.95 -8.52 -0.42 0
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335927 127254934 1 O3N6H20C22 A3B6C20D22 -15.95 3.06 -9.2 -1.1 0
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335928 127254935 1 F3O3N5H10C14 A3B3C5D10E14 -176.64 10.3 -9.14 -1.16 0
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335929 127254936 1 N3O3C19H19 A3B3C19D19 -52.01 2.47 -8.17 -0.09 0
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335930 127254937 1 O2N3H17C22 A2B3C17D22 34.04 3.19 -8.95 -1.69 0
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335931 127254938 1 BrNSO3H20C31 ABCD3E20F31 40.04 6.66 -8.35 -1.54 0
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335932 127254939 1 ClNO4H26C35 ABC4D26E35 -24.23 4.92 -8.31 -1.24 0
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335934 127254941 1 SN3O4C13H17 AB3C4D13E17 -88.67 10.18 -8.73 -1.12 0
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335935 127254942 1 SO3N6C13H18 AB3C6D13E18 -26.07 2.74 -9.87 -1.18 0
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335936 127254943 1 N2O2C25H30 A2B2C25D30 -38.09 6.84 -8.33 -0.23 0
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335937 127254944 1 FNO5H26C35 ABC5D26E35 -91.79 7.09 -8.45 -1.34 0
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335938 127254945 1 ON4C22H28 AB4C22D28 6.8 3.89 -8.73 -0.1 0
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335939 127254946 1 O2N5H13C14 A2B5C13D14 22.21 8.78 -9.06 -1.3 0
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335940 127254947 1 SN2O5C12H16 AB2C5D12E16 -177.69 6.46 -8.85 -1.04 0
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335941 127254948 1 NO7C23H25 AB7C23D25 -201.34 7.5 -8.56 -0.72 0
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335942 127254949 1 ClSO2N4H17C19 ABC2D4E17F19 -8.31 5.35 -8.9 -1.01 0
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335943 127254950 1 BrFN2O3H22C33 ABC2D3E22F33 34.21 2.6 -8.63 -1.01 0
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335944 127254951 1 SN3O3C21H21 AB3C3D21E21 -34.82 4.13 -8.2 -1.08 0
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335945 127254952 1 N3O3C20H27 A3B3C20D27 -126.11 5.1 -9.48 0.22 0
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335946 127254953 1 SN2O3C15H24 AB2C3D15E24 -132.21 5.75 -8.83 0.87 0
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335947 127254954 1 ON4C17H20 AB4C17D20 14.2 3.13 -8.71 -0.34 0
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335948 127254955 1 O2N3C22H23 A2B3C22D23 -13.39 5.07 -8.16 -0.2 0
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335949 127254956 1 O4N5C19H21 A4B5C19D21 -74.67 7.63 -9.03 -1.42 0
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335950 127254957 1 ClFO2N4C18H18 ABC2D4E18F18 -36.93 3.31 -8.31 -1.08 0
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335951 127254958 1 O3N4C19H22 A3B4C19D22 -79.29 2.83 -8.92 -0.59 0
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335952 127254959 1 NO4C22H23 AB4C22D23 -97.15 2.23 -8.41 -0.73 0
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335953 127254960 1 ON5C16H17 AB5C16D17 50.91 2.24 -8.87 -0.87 0
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335954 127254961 1 ON6C12H16 AB6C12D16 32.08 2.45 -8.94 -0.07 0
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335955 127254962 2 N2O2H8C9 A2B2C8D9 1.66 8.09 -9.04 -1.15 0
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335956 127254963 1 O2N3C23H25 A2B3C23D25 -11.63 5.38 -8.06 0.11 0
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335957 127254964 1 SO3N5H19C23 AB3C5D19E23 -6.58 2.6 -8.77 -1.18 0
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335958 127254965 1 FCl2N2O3C15H17 AB2C2D3E15F17 -125.66 5.99 -7.56 -1.12 1
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335959 127254966 1 ClFN2O3C15H17 ABC2D3E15F17 -123.03 9.77 0.0 0.0 0
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335960 127254967 1 ClNO5H28C36 ABC5D28E36 -63.27 4.99 -8.36 -1.17 0
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335961 127254968 1 BrN2O4H23C30 AB2C4D23E30 4.21 5.58 -8.72 -1.44 0
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335962 127254969 1 N4O5C22H22 A4B5C22D22 -102.39 2.74 -9.06 -0.95 0
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335963 127254970 1 O4N5C20H23 A4B5C20D23 -69.37 10.25 -8.54 -1.09 0
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335964 127254971 1 SO2N3C11H15 AB2C3D11E15 -44.95 5.18 -8.65 0.11 0
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335965 127254972 1 O2N3C18H23 A2B3C18D23 -59.02 7.98 -8.88 -0.12 0
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335966 127254973 1 NO6C19H21 AB6C19D21 -173.26 7.57 -8.77 -0.71 0
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335967 127254974 1 SN3O3C19H25 AB3C3D19E25 -92.14 9.51 -8.33 -0.08 0
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335968 127254975 1 ClNO4H26C35 ABC4D26E35 -25.04 5.09 -8.38 -1.31 0
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335969 127254976 1 FSN3O3H18C19 ABC3D3E18F19 -85.43 5.3 -8.93 -1.43 0
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335970 127254977 1 ON8C16H26 AB8C16D26 51.35 10.53 -9.93 -0.36 0
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335971 127254978 1 ClO2N5C18H24 AB2C5D18E24 -21.99 7.59 -9.57 -0.57 0
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335972 127254979 1 ClSN3O4C20H20 ABC3D4E20F20 -45.07 7.72 -7.93 -1.39 1
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335973 127254980 1 SN3O4C20H20 AB3C4D20E20 -41.7 3.39 0.0 0.0 0
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335974 127254981 1 N3O3C29H41 A3B3C29D41 -162.6 4.28 -8.11 0.22 0
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335975 127254982 1 ClSN2O5C15H19 ABC2D5E15F19 -203.63 8.26 -9.45 -0.76 0
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335976 127254983 1 N2O3C19H24 A2B3C19D24 -89.03 2.29 -8.48 -0.07 0
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335977 127254984 1 ClO3N4H15C22 AB3C4D15E22 -32.72 3.09 -9.28 -1.25 0
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335978 127254985 1 OSN5H17C21 ABC5D17E21 87.1 10.6 -8.22 -0.88 0
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335979 127254986 1 O3N5C11H19 A3B5C11D19 -75.11 6.3 -10.87 -0.41 0
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335980 127254987 1 SO2N4C20H20 AB2C4D20E20 16.83 7.11 -8.03 -0.31 0
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335982 127254989 1 O3N5C24H29 A3B5C24D29 -47.18 4.63 -8.74 -0.71 0
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335983 127254990 1 N3O3H21C23 A3B3C21D23 -26.48 2.51 -8.46 -0.82 0
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335984 127254991 1 N2O5C19H22 A2B5C19D22 -148.68 5.95 -8.47 -0.42 0
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335985 127254992 1 NO5H29C36 AB5C29D36 7.96 3.71 -8.29 -1.3 0
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335987 127254994 1 O2N5C15H15 A2B5C15D15 10.83 1.75 -9.08 -1.29 0
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335988 127254995 1 O3N4C21H26 A3B4C21D26 -24.28 7.43 -9.09 -1.01 0
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335989 127254996 1 N3O3C24H29 A3B3C24D29 -82.04 8.46 -8.53 -0.21 0
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335990 127254997 1 O4N5H23C27 A4B5C23D27 -56.16 4.39 -8.95 -1.17 0
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335991 127254998 1 OSN4H18C19 ABC4D18E19 58.96 4.06 -8.22 -0.67 0
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335992 127254999 1 ClFNO5H25C35 ABCD5E25F35 -105.42 7.81 -8.34 -1.27 0
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335993 127255000 1 O4N5H29C30 A4B5C29D30 -62.25 5.66 -8.21 -0.71 0
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335994 127255001 1 SN2F4O4H26C33 AB2C4D4E26F33 -236.88 10.42 -8.22 -0.67 0
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335995 127255002 1 O2N5C21H21 A2B5C21D21 38.38 5.31 -7.93 -0.8 0