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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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13855 399381 1 ClON5C19H26 ABC5D19E26 -16.64 1.77 -8.95 -0.29 0
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13856 399389 1 SO2N4H12C17 AB2C4D12E17 67.96 9.58 -8.65 -1.54 0
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13857 399403 1 SO7N12C46H56 AB7C12D46E56 -191.26 9.51 -8.36 -0.46 0
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13858 399407 1 NSO3H11C12 ABC3D11E12 -87.16 4.76 -9.6 -1.14 0
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13859 399411 1 NH13C17 AB13C17 97.68 2.08 -7.75 -1.06 0
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13860 399433 1 ON2H16C22 AB2C16D22 81.22 0.94 -9.15 -0.72 0
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13861 399434 1 S3O4H8C9 A3B4C8D9 -76.95 7.07 -9.82 -1.91 0
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13862 399435 1 S2H7C9 A2B7C9 55.01 1.73 0.0 0.0 1
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13863 399436 1 N2C11H14 A2B11C14 77.01 2.53 -9.26 0.25 0
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13864 399437 2 NC6H8 AB6C8 71.19 2.56 -9.21 0.32 0
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13866 399454 1 Cl2N3O3C16H17 A2B3C3D16E17 23.86 6.69 -8.96 -1.62 0
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13867 399456 1 N2O3C15H18 A2B3C15D18 -47.3 8.61 -8.95 -0.5 0
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13869 399471 1 SO2N5C15H15 AB2C5D15E15 48.47 5.69 -8.42 -1.3 0
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13870 399481 1 N3C17H21 A3B17C21 37.56 2.64 -8.67 -0.46 0
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13871 399482 1 N3O4C22H27 A3B4C22D27 -127.43 4.93 -8.66 -1.82 0
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13872 399488 2 O3C15H16 A3B15C16 -217.74 2.1 -8.87 -0.91 0
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13873 399491 2 O3H9C10 A3B9C10 -210.34 5.56 -9.08 -1.14 0
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13874 399493 2 O2C15H25 A2B15C25 -257.56 4.21 -9.34 0.7 0
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13875 399502 1 NS2O10C18H23 AB2C10D18E23 -384.66 5.23 -8.48 -0.91 0
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13876 399515 1 NOS2H15C23 ABC2D15E23 92.28 0.95 -8.1 -1.09 0
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13877 399516 1 NOS2H13C21 ABC2D13E21 80.06 0.83 -8.11 -1.03 0
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13878 399534 1 OSN2H3C5F7 ABC2D3E5F7 -386.59 6.19 -10.56 -1.73 0
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13879 399540 1 N2O4H20C21 A2B4C20D21 -56.44 3.32 -8.47 -0.88 0
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13880 399556 1 N4H20C23 A4B20C23 122.25 4.82 -7.97 -0.25 0
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13881 399565 1 SN4O5H26C27 AB4C5D26E27 -63.23 6.2 -8.22 -0.76 0
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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