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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13882 399567 1 SN5O5H23C26 AB5C5D23E26 11.34 6.65 -8.3 -1.64 0
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13883 399568 1 S2O3N5H25C26 A2B3C5D25E26 21.28 6.05 -8.19 -0.52 0
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13884 399576 2 NPO3C5H5 ABC3D5E5 -296.44 4.55 -10.23 -1.65 0
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13885 399584 1 NPO6C9H16 ABC6D9E16 -306.94 3.43 -10.07 -0.54 0
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13886 399585 1 N3O3C17H19 A3B3C17D19 -43.88 1.58 -9.35 -0.62 0
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13887 399594 1 N2O3C29H48 A2B3C29D48 -171.66 1.74 -8.3 1.02 0
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13888 399596 1 ClSN4O4C25H29 ABC4D4E25F29 -99.62 2.58 -8.96 -0.78 0
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13889 399606 1 O3N7C11H13 A3B7C11D13 23.53 11.02 -9.4 -1.34 0
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13890 399628 1 OSN3H17C20 ABC3D17E20 64.93 5.82 -8.52 -0.75 0
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13891 399629 1 O2N6C23H26 A2B6C23D26 7.75 5.51 -8.59 -0.88 0
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13892 399633 1 O2N7C23H27 A2B7C23D27 5.62 5.65 -8.26 -0.85 0
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13893 399634 1 O2N11C43H51 A2B11C43D51 102.89 9.81 -7.72 -0.72 0
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13894 399652 1 N5O6H39C54 A5B6C39D54 -51.61 6.06 -8.09 -0.73 0
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13895 399680 1 SN2O3C21H22 AB2C3D21E22 -36.66 1.08 -8.46 -0.71 0
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13896 399681 1 ClNSO2H6C10 ABCD2E6F10 -48.11 3.25 -9.74 -1.41 0
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13897 399683 1 SN3O7C30H35 AB3C7D30E35 -169.09 2.2 -8.64 -0.66 0
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13898 399693 1 ClN8C25H29 AB8C25D29 97.1 5.46 -9.14 -1.03 0
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13899 399733 1 SO4N5H17C23 AB4C5D17E23 99.79 7.51 -9.1 -1.96 0
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13900 399759 1 O4N6H12C17 A4B6C12D17 -18.04 7.46 -9.02 -1.95 0
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13901 399763 1 N3O4C18H25 A3B4C18D25 -144.55 2.17 -8.2 -0.2 0
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13902 399764 1 N3O4H19C20 A3B4C19D20 -80.88 7.35 -8.17 -0.73 0
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13903 399767 1 N3O3C15H19 A3B3C15D19 -96.77 6.65 -8.27 -0.44 0
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13904 399832 1 NO3H15C16 AB3C15D16 -51.73 2.93 -8.46 -0.45 0
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13905 399833 1 NS3Cl4H7C9 AB3C4D7E9 44.99 4.5 -9.16 -1.58 0
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13906 399834 1 O2N5C14H19 A2B5C14D19 40.72 8.78 -8.62 -1.41 0
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13907 399839 1 SN2O5C11H12 AB2C5D11E12 -191.13 5.48 -9.37 -1.55 0
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13908 399841 1 N2S2O5C11H12 A2B2C5D11E12 -179.25 6.1 -9.44 -1.04 0
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13909 399852 1 NO2S2H19C25 AB2C2D19E25 44.15 3.14 -8.05 -0.99 0
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13910 399921 1 ClOSN3H10C15 ABCD3E10F15 53.4 4.97 -8.88 -1.25 0
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13911 399932 1 OS2N5C18H19 AB2C5D18E19 46.23 4.9 -8.8 -1.01 0
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13912 399943 1 FS2O3N4H15C18 AB2C3D4E15F18 -93.66 2.26 -8.77 -1.63 0
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13913 399944 1 FS2O3N4H15C18 AB2C3D4E15F18 -93.13 2.72 -8.77 -1.62 0
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13914 399946 1 S2F3O3N4H15C19 A2B3C3D4E15F19 -205.51 3.26 -8.88 -1.83 0
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13915 399952 1 F2O2S2N4H14C17 A2B2C2D4E14F17 -89.31 3.23 -8.65 -1.38 0
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13916 399953 1 S2N4O4H16C17 A2B4C4D16E17 -79.05 4.26 -8.58 -1.34 0
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13917 400021 1 SO2N3H15C19 AB2C3D15E19 15.63 3.94 -8.86 -1.62 0
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13918 400022 1 SN3O3H17C20 AB3C3D17E20 -13.44 5.24 -8.78 -1.63 0
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13919 400025 1 SN2O3H14C19 AB2C3D14E19 -55.51 6.61 -8.61 -1.91 0
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13920 400027 1 SN2O4C25H26 AB2C4D25E26 -112.9 2.48 -8.7 -1.71 0
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13921 400028 1 O2N4H16C23 A2B4C16D23 58.05 7.53 -9.24 -1.51 0
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13922 400030 1 BrO2N4H15C23 AB2C4D15E23 61.45 5.75 -9.37 -1.71 0
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13923 400033 1 BrO2N4H15C23 AB2C4D15E23 61.14 6.5 -9.27 -1.71 0
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13924 400034 1 BrFON3H13C22 ABCD3E13F22 57.46 3.0 -9.06 -1.59 0
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13925 400035 1 BrON4H13C23 ABC4D13E23 136.05 5.54 -9.25 -1.74 0
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13926 400036 1 BrFON3H13C22 ABCD3E13F22 59.84 2.36 -9.12 -1.53 0
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13927 400048 1 BrS2O4N5C29H30 AB2C4D5E29F30 -84.27 9.28 -8.35 -1.38 0
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13928 400051 1 SN3O3C19H22 AB3C3D19E22 -77.87 7.08 0.0 0.0 1
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13929 400092 2 N2C6H7 A2B6C7 65.64 6.51 -8.65 -0.46 0
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13930 400159 1 N5C18H25 A5B18C25 74.29 4.67 -8.08 -0.96 0
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13931 400193 1 F3N3O4C35H54 A3B3C4D35E54 -343.93 5.83 -8.96 -0.83 0
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13932 400199 1 O3N4C21H28 A3B4C21D28 -80.67 6.51 -8.8 -0.41 0
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13933 400206 1 O2N3H17C19 A2B3C17D19 23.91 1.51 -8.0 -0.65 0
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13934 400214 1 F3N4O5H27C28 A3B4C5D27E28 -302.07 6.03 -8.87 -1.36 0
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13935 400228 1 PN2O3C18H19 AB2C3D18E19 -109.61 5.14 -9.76 -0.3 0
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13936 400231 1 PN2O4C24H27 AB2C4D24E27 -163.17 7.27 -9.54 -0.26 0
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13937 400237 1 PN2O3H23C24 AB2C3D23E24 -83.77 7.44 -9.69 -0.26 0
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13938 400239 1 PN2O3C16H21 AB2C3D16E21 -139.46 6.25 -9.45 0.16 0
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13939 400264 1 N3O4H13C18 A3B4C13D18 -39.48 2.6 -8.94 -1.36 0
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13940 400297 1 SN3O4H23C31 AB3C4D23E31 23.62 0.93 -8.01 -1.41 0
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13941 400307 1 ClFSO2N3H17C29 ABCD2E3F17G29 46.1 4.08 -9.13 -1.65 0
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13942 400314 1 SCl2O2N3H13C22 AB2C2D3E13F22 54.36 2.52 -9.14 -1.55 0
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13943 400553 1 S2N4C15H20 A2B4C15D20 83.08 1.62 -8.77 -0.27 0
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13944 400557 1 O4H22C23 A4B22C23 -86.28 6.95 -8.96 -0.19 0
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13945 400630 1 O12C21H26 A12B21C26 -480.14 3.67 -10.04 -0.9 0
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13946 400655 1 O4H18C23 A4B18C23 -79.42 5.23 -9.1 -1.05 0
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13947 400700 1 O6N9C25H29 A6B9C25D29 -145.63 2.28 -8.6 -0.99 0
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13948 400708 1 SN2O3H12C16 AB2C3D12E16 -33.1 1.87 -8.71 -1.36 0
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13949 400742 1 SN7O9C23H25 AB7C9D23E25 -61.46 8.92 -9.17 -2.3 0
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13950 400751 1 O5H8C10 A5B8C10 -171.4 5.47 -10.07 -1.48 0
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13951 400759 1 NBr2O2H5C9 AB2C2D5E9 23.81 5.89 -8.9 -1.77 0
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13952 400767 1 N5O5H11C19 A5B5C11D19 53.69 4.38 -9.47 -2.34 0
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13954 400792 1 SO2Cl3N6H25C26 AB2C3D6E25F26 70.16 4.1 -8.65 -1.4 0
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13955 400802 1 FSCl2O2N4H13C24 ABC2D2E4F13G24 59.5 5.35 -8.83 -1.68 0
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13956 400829 2 ClOSN4H8C12 ABCD4E8F12 129.69 5.57 -9.5 -1.91 0
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13957 400830 1 ClSO2N4H15C19 ABC2D4E15F19 47.8 7.04 -9.19 -1.62 0
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13958 400928 1 ClN5H16C23 AB5C16D23 156.94 4.65 -8.78 -1.39 0
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13959 400929 1 N5H19C24 A5B19C24 157.58 2.23 -8.51 -1.24 0
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13960 400954 1 FO5N6C21H21 AB5C6D21E21 -54.72 6.51 -9.18 -1.46 0
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13961 400959 1 ClSN5H22C26 ABC5D22E26 160.94 6.43 -8.15 -1.32 0
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13962 400960 1 SCl2N4H16C24 AB2C4D16E24 152.23 3.37 -8.66 -1.62 0
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13963 400964 1 ClS2O3N4H21C27 AB2C3D4E21F27 18.91 3.08 -8.73 -1.0 0
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13964 400983 4 ClNOH6C10 ABCD6E10 64.59 2.19 -8.18 -1.83 0
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13965 400984 2 Cl2N2O3H10C18 A2B2C3D10E18 -51.38 5.97 -8.07 -1.72 0
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13966 401071 1 O5C29H40 A5B29C40 -211.09 4.47 -8.79 -0.24 0
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13967 401080 1 ClO2N4C26H37 AB2C4D26E37 -81.78 10.11 -8.29 0.08 0
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13968 401108 3 NO2H7C8 AB2C7D8 -68.31 7.2 -8.82 -1.84 0
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13969 401115 1 SO2N3C17H17 AB2C3D17E17 -32.6 3.55 -8.86 -0.93 0
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13970 401204 1 BrN4O6C34H39 AB4C6D34E39 -182.05 5.73 -8.22 -0.02 0
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13971 401212 2 N2O3C8H13 A2B3C8D13 -242.51 7.35 -9.22 -0.18 0
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13972 401213 1 N5O5C18H21 A5B5C18D21 -125.21 4.07 -8.8 -0.39 0
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13973 401214 1 O4N6C15H24 A4B6C15D24 -115.08 1.59 -8.84 -0.56 0
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13974 401221 1 N3O3H25C27 A3B3C25D27 -5.19 4.83 -9.07 -0.45 0
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13975 401233 1 N3O4C14H17 A3B4C14D17 -135.04 1.77 -9.62 -0.04 0
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13976 401237 1 N2O5C22H22 A2B5C22D22 -150.92 1.91 -8.96 -0.2 0
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13977 401238 1 ClO4N7H40C47 AB4C7D40E47 37.83 9.49 -8.05 -1.1 0
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13978 401244 1 O2S2N3C19H25 A2B2C3D19E25 -26.47 5.09 -8.73 -0.06 0
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13979 401253 1 N5O10C34H43 A5B10C34D43 -343.27 9.38 -9.72 -0.59 0
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13980 401280 1 ClSN4O7H19C25 ABC4D7E19F25 -169.8 9.28 -9.52 -1.58 0
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13981 401281 1 ClSN4O7H21C26 ABC4D7E21F26 -162.05 2.25 -9.13 -1.63 0
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13982 401282 1 ClSN5O6H24C27 ABC5D6E24F27 -122.94 3.72 -8.64 -1.57 0