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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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62851 26737260 1 N2O5C22H29 A2B5C22D29 -103.77 4.73 0.0 0.0 0
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62852 26737261 1 N2O5C22H28 A2B5C22D28 -114.87 3.78 -8.31 0.13 0
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62853 26737269 1 ClN2O4C17H19 AB2C4D17E19 -152.13 2.46 -8.52 -0.45 0
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62854 26737270 1 Cl2N2O4H18C19 A2B2C4D18E19 -130.04 6.34 -8.55 -0.44 0
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62855 26737276 1 ClFSN2O4C18H18 ABCD2E4F18G18 -168.14 6.66 -8.23 -1.22 0
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62856 26737287 1 ClN2O6C17H17 AB2C6D17E17 -122.94 6.65 -8.47 -1.46 0
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62857 26737289 1 ClSN2O4C18H19 ABC2D4E18F19 -128.18 3.19 -8.52 -1.08 0
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62858 26737304 1 OCl2N3H7C13 AB2C3D7E13 40.65 5.7 -9.7 -1.52 0
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62859 26737308 1 SO2N4H14C18 AB2C4D14E18 -0.84 8.94 -9.1 -1.59 1
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62860 26737310 1 NO3C22H28 AB3C22D28 -72.19 3.86 0.0 0.0 0
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62861 26737320 1 NOC21H25 ABC21D25 -5.7 3.35 -9.03 0.09 0
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62862 26737362 1 ClSO2F3N4H14C20 ABC2D3E4F14G20 -182.96 7.39 -9.03 -1.69 0
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62863 26737363 1 O6C19H30 A6B19C30 -263.3 2.63 -9.86 0.63 1
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62864 26737369 1 NO2C20H40 AB2C20D40 -133.38 0.92 0.0 0.0 0
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62865 26737375 1 NO2C20H39 AB2C20D39 -156.93 2.2 -8.52 2.1 0
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62866 26737382 1 NO9C19H31 AB9C19D31 -444.43 1.5 -9.78 0.59 0
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62867 26737385 1 NO2C25H37 AB2C25D37 -109.95 1.74 -8.58 0.38 1
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62868 26737386 1 NO2C25H38 AB2C25D38 -87.47 2.03 0.0 0.0 0
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62869 26737387 1 NO2C25H37 AB2C25D37 -108.21 2.09 -8.6 0.35 0
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62870 26737389 1 N3O4C16H21 A3B4C16D21 -77.51 8.6 -9.06 -1.07 0
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62871 26737395 1 N3O5H19C22 A3B5C19D22 -54.8 7.27 -8.22 -1.76 0
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62872 26737399 1 Cl3N3O3H16C21 A3B3C3D16E21 -57.98 5.14 -8.24 -1.8 0
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62873 26737401 1 O4N5H21C24 A4B5C21D24 -43.13 4.0 -8.21 -1.38 0
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62874 26737402 1 N4O4H24C27 A4B4C24D27 -84.21 9.3 -8.22 -1.26 0
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62875 26737406 1 N2O3C22H24 A2B3C22D24 -81.83 5.89 -8.18 -0.47 0
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62876 26737407 1 ClSN2O3H9C15 ABC2D3E9F15 -36.01 5.0 -9.17 -2.04 0
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62877 26737408 1 N4O5H22C27 A4B5C22D27 -83.83 6.02 -8.24 -1.58 0
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62878 26737409 1 FSN3O3H22C26 ABC3D3E22F26 -75.43 5.67 -8.2 -1.21 0
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62879 26737410 3 NO2C9H9 AB2C9D9 -158.15 8.19 -8.24 -1.11 0
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62880 26737411 1 S2N3O3H21C24 A2B3C3D21E24 -20.73 5.13 -8.22 -1.45 0
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62881 26737412 1 FSN2O4H23C26 ABC2D4E23F26 -128.35 6.5 -8.15 -1.28 0
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62882 26737413 1 SN3O5H21C26 AB3C5D21E26 -117.03 2.31 -8.24 -1.69 0
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62883 26737414 1 O3N4H22C24 A3B4C22D24 -31.34 9.54 -8.1 -1.17 0
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62884 26737415 1 NO2H15C17 AB2C15D17 22.43 7.89 -8.15 -1.22 0
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62885 26737419 1 NO2H13C16 AB2C13D16 31.36 8.4 -8.35 -1.29 0
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62886 26737422 1 N3O7C25H25 A3B7C25D25 -137.61 8.78 -8.18 -1.62 1
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62887 26737429 1 SN4O4H19C22 AB4C4D19E22 -72.53 9.31 0.0 0.0 0
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62888 26737459 1 O2S2N3C25H33 A2B2C3D25E33 -92.97 3.58 -8.58 -1.04 1
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62889 26737467 1 O2N7C22H26 A2B7C22D26 71.54 6.93 0.0 0.0 1
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62890 26737469 1 Cl2O2N5C19H22 A2B2C5D19E22 5.74 12.18 0.0 0.0 1
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62891 26737471 1 O2N7C25H32 A2B7C25D32 53.42 2.76 0.0 0.0 0
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62892 26737480 1 O4N5C24H33 A4B5C24D33 -135.08 2.67 -8.52 -0.16 0
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62893 26737486 2 NO2C7H7 AB2C7D7 -140.91 6.22 -10.54 -0.4 1
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62894 26737514 1 ClSO2N5C24H27 ABC2D5E24F27 20.78 5.07 0.0 0.0 0
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62895 26737519 1 ClSN2O4H23C28 ABC2D4E23F28 -68.84 4.57 -8.54 -1.26 0
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62896 26737527 1 N5O6C23H29 A5B6C23D29 -97.39 7.75 -8.1 -1.56 0
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62897 26737529 1 O2N5C23H27 A2B5C23D27 -5.98 4.44 -8.13 -0.36 1
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62898 26737530 1 N5O6C23H30 A5B6C23D30 -100.85 3.58 0.0 0.0 1
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62899 26737545 1 O3N4C23H27 A3B4C23D27 -17.29 8.64 0.0 0.0 0
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62900 26737546 1 O3N4C23H26 A3B4C23D26 -34.56 2.48 -8.29 -1.13 1
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62901 26737555 1 SO4N6C21H27 AB4C6D21E27 -49.17 6.14 0.0 0.0 1
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62902 26737558 1 O2N5C28H34 A2B5C28D34 34.8 7.24 0.0 0.0 1
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62903 26737562 1 Cl2O2N5C19H22 A2B2C5D19E22 6.56 7.25 0.0 0.0 0
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62904 26737576 1 ClNO4H22C30 ABC4D22E30 -44.83 6.74 -9.3 -0.82 0
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62905 26737577 1 FSCl2N2O3C19H19 ABC2D2E3F19G19 -142.74 4.03 -9.38 -1.47 -1
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62906 26737580 1 NO4H20C29 AB4C20D29 18.19 8.16 0.0 0.0 0
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62907 26737583 1 SN4O4C23H26 AB4C4D23E26 -65.7 11.3 -8.96 -1.06 0
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62908 26737585 1 N2O5H18C19 A2B5C18D19 -62.08 8.76 -9.66 -1.18 0
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62909 26737590 1 SN3O8C22H27 AB3C8D22E27 -186.26 5.15 -9.22 -1.41 1
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62910 26737591 1 ClF3O4N5C22H24 AB3C4D5E22F24 -197.9 20.06 0.0 0.0 0
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62911 26737593 1 S2O3N6C22H28 A2B3C6D22E28 -32.44 9.72 -8.72 -1.03 0
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62912 26737595 1 SCl2N3O3C18H19 AB2C3D3E18F19 -81.62 6.67 -9.28 -1.57 0
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62913 26737596 1 NOSBr2C15H15 ABCD2E15F15 -8.37 3.22 -8.89 -0.32 0
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62914 26737599 1 BrSO2N3H16C18 ABC2D3E16F18 -43.44 4.95 -8.65 -1.34 1
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62915 26737605 1 ClOF3N5C20H20 ABC3D5E20F20 -83.32 19.14 0.0 0.0 0
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62916 26737610 1 BrSN2O3C18H19 ABC2D3E18F19 -91.26 1.68 -8.92 -1.14 0
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62917 26737611 1 BrSN2O2H15C18 ABC2D2E15F18 -5.6 4.55 -8.67 -1.14 0
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62918 26737618 1 BrSO2N4H19C23 ABC2D4E19F23 49.52 3.67 -9.39 -1.41 1
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62919 26737622 1 FOSN2C16H22 ABCD2E16F22 -62.59 5.41 0.0 0.0 0
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62920 26737632 1 FSO2N4H17C25 ABC2D4E17F25 15.63 5.75 -9.08 -1.43 0
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62921 26737633 1 O2S2N4H20C27 A2B2C4D20E27 82.89 4.26 -9.05 -1.37 -1
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62922 26737645 1 BrN2O5H16C20 AB2C5D16E20 -30.92 23.32 0.0 0.0 0
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62923 26737650 1 BrSO2N4H19C23 ABC2D4E19F23 50.59 1.77 -9.2 -1.32 0
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62924 26737652 1 O2Cl3N5H12C21 A2B3C5D12E21 51.47 1.5 -9.42 -1.68 1
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62925 26737656 1 F3O3N6C23H24 A3B3C6D23E24 -133.06 29.95 0.0 0.0 0
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62926 26737659 1 SN2O4C20H24 AB2C4D20E24 -104.01 1.78 -8.35 -0.3 0
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62927 26737661 1 SN2O4C20H24 AB2C4D20E24 -105.22 2.1 -8.32 -0.39 0
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62928 26737662 1 O4N5H25C28 A4B5C25D28 -35.19 4.57 -8.32 -1.43 0
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62929 26737666 1 O4N6H16C21 A4B6C16D21 -42.95 3.51 -9.5 -1.39 0
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62930 26737676 1 SO2N6H18C25 AB2C6D18E25 92.4 2.26 -9.11 -1.63 -1
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62931 26737682 1 N3O7H16C23 A3B7C16D23 -22.28 5.11 0.0 0.0 0
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62932 26737684 1 NO4H25C28 AB4C25D28 -102.11 1.65 -8.55 -0.32 0
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62933 26737686 1 NO4H25C28 AB4C25D28 -97.9 2.89 -8.44 -0.24 0
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62934 26737691 1 ClSN3O3H24C26 ABC3D3E24F26 -38.27 1.78 -8.7 -1.04 0
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62935 26737692 1 FSN3O3H24C26 ABC3D3E24F26 -79.43 5.5 -8.84 -0.71 0
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62936 26737693 1 FSN3O3H26C27 ABC3D3E26F27 -88.88 3.85 -8.45 -0.67 0
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62937 26737694 1 SN3O7C23H23 AB3C7D23E23 -213.88 6.78 -8.9 -1.12 0
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62938 26737705 1 SN4O5C24H24 AB4C5D24E24 -113.53 5.33 -9.36 -1.5 0
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62939 26737711 1 SN4O5C25H28 AB4C5D25E28 -115.43 8.6 -9.19 -1.44 0
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62940 26737721 1 SO2N3C21H23 AB2C3D21E23 -55.35 6.49 -8.43 -1.38 0
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62941 26737726 1 SO2N4C23H24 AB2C4D23E24 -34.77 3.13 -8.69 -1.46 0
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62942 26737731 1 N2O5C20H24 A2B5C20D24 -100.18 7.18 -8.67 -1.36 0
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62943 26737732 1 N2O5C20H24 A2B5C20D24 -99.77 7.51 -8.64 -1.43 0
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62944 26737736 1 SN2O2C21H22 AB2C2D21E22 -15.35 3.84 -8.52 -0.91 0
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62945 26737740 1 SN3O3C18H21 AB3C3D18E21 -75.15 6.49 -8.83 -1.06 0
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62946 26737751 1 N3O6H19C24 A3B6C19D24 -83.84 6.03 -8.7 -2.02 0
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62947 26737753 1 O3N4H20C21 A3B4C20D21 36.62 8.02 -9.07 -1.16 0
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62948 26737754 1 SN4O4H16C18 AB4C4D16E18 -43.59 10.28 -9.18 -1.62 0
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62949 26737760 1 N2O3C14H16 A2B3C14D16 -31.1 5.4 -9.32 -1.28 0
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62950 26737763 1 N3O4H19C22 A3B4C19D22 -27.99 3.54 -8.79 -1.49 0