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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128897 51062658 1 O2N3H20C24 A2B3C20D24 81.84 1.91 0.0 0.0 0
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128898 51062670 1 N3O3Cl4H5C14 A3B3C4D5E14 -30.75 2.58 -9.9 -1.95 0
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128899 51062850 1 BrClO2N4C21H24 ABC2D4E21F24 -28.0 11.16 -8.9 -1.53 0
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128900 51062884 1 BrO2N4F6H17C23 AB2C4D6E17F23 -345.72 4.08 -9.07 -1.05 0
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128901 51062967 1 ON2C27H42 AB2C27D42 -58.71 4.77 -8.37 -0.15 0
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128902 51062991 1 N2O13C19H36 A2B13C19D36 -616.69 5.77 -9.85 -0.27 0
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128903 51063014 1 O3C14H24 A3B14C24 -157.61 2.12 -9.52 1.22 0
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128904 51063033 1 BrNOH8C10 ABCD8E10 12.87 4.97 -8.8 -0.91 0
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128905 51063076 1 ClNS2O4C13H20 ABC2D4E13F20 12.25 14.98 -9.44 -2.72 1
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128906 51063077 1 NS2C13H20 AB2C13D20 -5.44 0.66 0.0 0.0 0
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128907 51063305 1 SN3O3C22H23 AB3C3D22E23 -19.58 7.41 -9.37 -1.32 0
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128908 51063495 2 N2O6C25H27 A2B6C25D27 -241.27 6.26 -7.4 -1.55 0
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128909 51063539 1 NO4H15C18 AB4C15D18 -88.86 9.06 -9.04 -1.34 0
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128910 51063540 1 NO5C19H19 AB5C19D19 -155.71 4.42 -8.81 -0.96 0
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128911 51063541 1 ClNO5H18C19 ABC5D18E19 -165.43 2.15 -8.91 -1.08 0
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128912 51063542 1 NO5C21H23 AB5C21D23 -172.3 2.41 -8.97 -1.08 0
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128913 51063543 1 NO6C20H21 AB6C20D21 -198.16 3.26 -8.93 -1.02 0
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128914 51063544 1 NSO5C17H17 ABC5D17E17 -154.13 3.85 -8.98 -1.17 0
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128915 51063545 1 NO6C18H19 AB6C18D19 -198.57 6.16 -8.71 -0.87 0
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128916 51063623 1 SN2O4C15H18 AB2C4D15E18 -98.09 6.11 -9.21 -0.58 0
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128917 51063624 1 OSN3C11H17 ABC3D11E17 -20.26 4.58 -8.8 -0.25 0
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128918 51063625 1 NCl2O3C14H17 AB2C3D14E17 -146.46 3.44 -8.79 -0.25 0
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128919 51063671 1 ClN2O2H9C10 AB2C2D9E10 8.2 4.87 -9.18 -1.58 0
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128920 51063672 1 ClN2O2H11C14 AB2C2D11E14 21.09 3.58 -9.37 -1.56 0
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128921 51063673 1 OSN3H11C14 ABC3D11E14 50.33 4.39 -8.78 -1.61 0
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128922 51063679 1 HNNaOF3C4 ABCDE3F4 -216.25 6.77 -9.1 0.11 0
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128923 51063680 1 IN2C7H11 AB2C7D11 30.65 3.14 -8.94 -0.48 0
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128924 51063681 1 ClN2O4H5C6 AB2C4D5E6 -127.46 3.75 -10.59 -1.43 0
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128925 51063682 1 OF3N3H8C11 AB3C3D8E11 -119.48 1.58 -8.76 -1.19 0
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128926 51063683 1 OF3N3H8C11 AB3C3D8E11 -120.79 2.16 -8.83 -1.24 0
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128927 51063684 1 SO2N3H9C11 AB2C3D9E11 57.01 5.71 -8.77 -1.28 0
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128928 51063685 1 NOF3H12C16 ABC3D12E16 -134.19 3.99 -8.85 -1.24 0
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128929 51063696 1 ON4C10H12 AB4C10D12 26.94 5.74 -8.58 -0.95 0
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128930 51063712 1 ClNO2F3H7C13 ABC2D3E7F13 -169.05 1.35 -9.85 -1.38 0
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128931 51063765 1 N2O3C10H12 A2B3C10D12 -62.94 3.88 -9.94 -1.25 0
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128932 51063810 1 BrN2O3H7C10 AB2C3D7E10 -33.18 6.27 -9.49 -1.43 0
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128933 51063811 1 BrN2O3H7C10 AB2C3D7E10 -22.16 4.04 -9.83 -1.71 0
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128934 51063812 1 N2O4H10C11 A2B4C10D11 -65.64 5.41 -9.15 -1.56 0
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128935 51063813 1 BrN2O3H5C9 AB2C3D5E9 -18.51 6.02 -10.3 -1.86 0
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128936 51063814 1 BrN2O3H5C9 AB2C3D5E9 -18.16 6.67 -10.36 -1.84 0
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128937 51063815 1 NO5C12H13 AB5C12D13 -193.78 5.11 -9.34 -0.3 0
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128938 51063903 1 ClN2O2H9C10 AB2C2D9E10 -38.31 2.91 -9.45 -1.3 0
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128939 51063957 1 ClSO2F3H4N4C8 ABC2D3E4F4G8 -136.97 7.26 -11.02 -2.41 0
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128940 51063982 1 OCl2H12C16 AB2C12D16 2.08 4.63 -9.41 -1.14 0
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128941 51063995 1 N4C11H14 A4B11C14 69.89 5.37 -8.77 -0.75 0
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128942 51063996 1 N2F3O3H5C7 A2B3C3D5E7 -167.62 2.11 -10.58 -2.1 0
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128943 51063997 1 ClON2C15H15 ABC2D15E15 -4.34 5.69 -9.48 -0.99 0
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128944 51063998 1 BrSN2H5C6 ABC2D5E6 50.63 3.14 -8.92 -1.46 0
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128945 51064091 1 ON6H10C11 AB6C10D11 99.07 11.69 -9.15 -1.62 0
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128946 51064117 1 ClNO4C6H12 ABC4D6E12 -214.31 7.01 -10.76 -0.25 0
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128950 51064125 1 SCl2N2O2F3H5C7 AB2C2D2E3F5G7 -183.01 6.66 -10.01 -1.7 0
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128952 51064127 1 ClN2O2C12H15 AB2C2D12E15 -95.61 3.39 -8.52 -0.01 0
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128953 51064206 1 FO2N3C15H20 AB2C3D15E20 -109.87 3.27 -9.49 -0.7 0
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128954 51064207 1 Cl2O3N4H18C19 A2B3C4D18E19 -70.73 1.89 -9.13 -0.94 0
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128955 51064208 1 N2O2C27H36 A2B2C27D36 -37.15 5.72 -8.71 -0.17 0
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128956 51064209 1 ClN4O6C21H23 AB4C6D21E23 -105.05 8.79 -8.56 -1.65 0
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128957 51064210 1 ClN4O4C14H17 AB4C4D14E17 -63.48 3.71 -9.87 -1.89 0
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128958 51064211 2 NOC4H8 ABC4D8 -97.59 3.67 -9.17 0.44 0
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128959 51064212 1 Br2O3N8H20C24 A2B3C8D20E24 107.98 11.66 -9.02 -1.66 0
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128960 51064213 1 OBr3N3C18H20 AB3C3D18E20 19.33 7.97 -8.68 -0.53 0
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128961 51064214 1 BrN5C19H20 AB5C19D20 120.54 6.68 -8.01 -0.73 0
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128962 51064215 1 Br2N3O3H13C20 A2B3C3D13E20 13.19 5.95 -9.62 -1.2 0
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128963 51064216 1 ON2F9H11C15 AB2C9D11E15 -433.05 8.17 -8.72 -1.34 0
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128964 51064217 1 O4C21H30 A4B21C30 -182.16 5.37 -9.78 0.71 0
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128965 51064218 1 ON3H17C18 AB3C17D18 40.13 5.33 -8.1 -1.05 0
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128966 51064219 1 N3O5C22H25 A3B5C22D25 -110.36 3.78 -8.86 -0.27 0
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128967 51064220 1 SN3O4C15H19 AB3C4D15E19 -55.24 9.84 -10.11 -2.16 0
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128968 51064221 1 N3O7H11C15 A3B7C11D15 -54.36 15.49 -9.46 -2.36 0
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128969 51064222 1 SN4O4C16H22 AB4C4D16E22 -125.29 8.81 -9.5 -0.67 0
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128970 51064223 1 ClSN3O3C15H22 ABC3D3E15F22 -107.28 2.62 -8.97 -1.16 0
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128971 51064224 1 BrNSO5H18C22 ABCD5E18F22 -110.07 5.32 -9.22 -1.47 0
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128972 51064546 1 N3O4H19C22 A3B4C19D22 -71.73 4.67 -8.56 -1.22 0
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128973 51064603 1 SN3O4C19H21 AB3C4D19E21 -115.03 7.67 -8.59 -1.55 0
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128974 51064604 1 SN3O3C21H23 AB3C3D21E23 -89.09 7.1 -8.59 -1.52 0
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128975 51064605 1 SN3O3C21H23 AB3C3D21E23 -85.02 5.06 -8.2 -1.45 0
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128976 51064606 1 SN3O3C17H17 AB3C3D17E17 -68.33 6.08 -8.71 -1.43 0
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128977 51064748 1 N3O3C19H19 A3B3C19D19 -21.97 3.86 -9.02 -0.65 0
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128978 51064840 1 BrON3H16C18 ABC3D16E18 53.19 4.3 -9.56 -1.3 0
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128979 51064897 1 OSN2C22H22 ABC2D22E22 29.87 4.25 -8.48 -0.76 0
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128980 51065010 1 SN3O6C16H21 AB3C6D16E21 -163.99 7.1 -8.83 -1.72 0
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128981 51065039 1 SO2N3H15C18 AB2C3D15E18 22.58 6.65 -8.81 -0.59 0
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128982 51065040 1 ClO2S2N4H17C22 AB2C2D4E17F22 79.43 2.67 -8.56 -1.76 0
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128983 51065085 1 SN2O3H20C21 AB2C3D20E21 -39.47 3.04 -9.04 -0.97 0
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128984 51065086 1 SN2O2H18C19 AB2C2D18E19 -10.81 6.1 -8.51 -0.64 0
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128985 51065232 1 BrSN3O5C22H22 ABC3D5E22F22 -107.65 8.85 -8.67 -0.7 0
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128986 51065304 1 N2O3H22C23 A2B3C22D23 -24.95 6.44 -8.59 -0.87 0
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128987 51065413 1 SN3O5C24H27 AB3C5D24E27 -123.78 10.07 -8.59 -0.26 0
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128988 51065440 1 ClSO2N4C17H19 ABC2D4E17F19 -41.33 3.13 -8.68 -1.29 0
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128989 51065441 1 ClSO2N4C17H19 ABC2D4E17F19 -42.81 0.86 -8.86 -1.42 0
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128990 51065442 1 ClSO2N4C18H21 ABC2D4E18F21 -48.96 5.02 -8.94 -1.42 0
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128991 51065443 1 ClSO3N4C18H21 ABC3D4E18F21 -78.57 3.37 -8.36 -1.31 0
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128992 51065620 1 ClSO2N4C24H25 ABC2D4E24F25 -28.12 3.26 -8.74 -1.26 0
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128993 51065670 1 ClN2O2H17C19 AB2C2D17E19 -26.47 2.68 -8.6 -0.74 0
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128994 51065671 1 FN2O2H17C19 AB2C2D17E19 -63.56 3.04 -8.59 -0.73 0
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128995 51065672 1 Cl2N2O2H16C19 A2B2C2D16E19 -35.43 2.95 -8.61 -0.82 0
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128996 51065673 1 FN2O2H17C19 AB2C2D17E19 -60.46 2.04 -8.79 -0.68 0
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128997 51065699 1 ClSO2N4H21C22 ABC2D4E21F22 -11.92 6.22 -8.92 -1.33 0
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128998 51065832 1 BrSN3O3C18H20 ABC3D3E18F20 -66.02 3.37 -9.08 -1.29 0
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128999 51065833 1 BrSN3O3C12H16 ABC3D3E12F16 -95.6 4.02 -9.17 -1.33 0
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129000 51065834 1 BrSN3O3C11H14 ABC3D3E11F14 -86.88 3.58 -9.09 -1.29 0