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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31826 3719903 1 N4O5C25H28 A4B5C25D28 -113.12 6.13 -9.5 -1.07 0
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31827 3720001 2 N2O2C15H18 A2B2C15D18 -102.43 3.6 -8.21 -0.27 0
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31828 3720002 1 BrNSO3H20C21 ABCD3E20F21 -47.38 4.7 -9.0 -0.66 0
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31829 3720129 1 ClSN2O4C24H25 ABC2D4E24F25 -136.07 3.72 -9.54 -0.74 0
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31830 3720443 1 SN3O6H13C22 AB3C6D13E22 -92.44 3.42 -9.94 -1.95 0
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31831 3720695 1 O4N5H17C19 A4B5C17D19 -57.93 6.89 -9.28 -1.61 0
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31832 3720742 1 ClOSN5C21H22 ABCD5E21F22 56.01 6.06 -8.98 -0.91 0
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31833 3720760 1 SCl3N3O5H18C27 AB3C3D5E18F27 -84.1 4.28 -8.98 -1.33 0
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31834 3720761 1 BrN3O6H24C26 AB3C6D24E26 -132.68 3.22 -8.63 -0.84 0
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31835 3720768 1 S2N3O4C17H21 A2B3C4D17E21 -91.64 6.24 -8.95 -1.56 0
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31836 3720779 2 O2N3C13H16 A2B3C13D16 -28.88 4.93 -8.23 -0.57 0
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31837 3720801 1 N2O5C12H22 A2B5C12D22 -249.39 1.71 -9.87 0.56 0
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31838 3720803 1 OSN2C10H12 ABC2D10E12 4.86 6.13 -8.52 -0.57 0
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31839 3720848 1 NO2S2F3H10C13 AB2C2D3E10F13 -185.55 2.41 -9.93 -1.34 0
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31840 3720849 1 ClNSO3C12H14 ABCD3E12F14 -99.69 8.09 -9.46 -0.81 0
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31841 3720852 1 ClFO2N3H15C22 ABC2D3E15F22 8.81 2.71 -8.84 -1.11 0
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31842 3720853 1 BrClN4O5H8C12 ABC4D5E8F12 -120.87 3.54 -9.25 -1.69 0
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31843 3720854 1 N2O3C19H22 A2B3C19D22 -102.98 1.45 -8.7 0.12 0
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31844 3720855 1 SN2O3F4H12C17 AB2C3D4E12F17 -247.76 10.3 -8.85 -1.67 0
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31845 3720871 1 O2F5N6H11C18 A2B5C6D11E18 -128.65 3.73 -9.14 -1.51 0
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31846 3720873 1 N4O5C23H32 A4B5C23D32 -193.81 2.96 -9.53 -0.42 0
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31847 3720895 1 NO8C33H45 AB8C33D45 -313.57 5.96 -8.59 -0.55 0
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31848 3720896 1 NPO5C12H18 ABC5D12E18 -267.48 4.72 -9.64 0.08 0
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31849 3720898 1 N3O3C27H31 A3B3C27D31 -66.97 7.93 -8.52 -0.48 0
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31850 3720936 1 S2N3O4C23H25 A2B3C4D23E25 -101.54 7.44 -8.64 -0.93 0
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31851 3721091 1 O2S2N3C22H25 A2B2C3D22E25 -31.46 9.43 -8.17 -1.56 0
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31852 3721154 1 N5O5C20H27 A5B5C20D27 -85.32 4.06 -8.49 -0.95 0
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31853 3721155 1 ClFO3N5C17H19 ABC3D5E17F19 -58.33 3.48 -9.44 -1.18 0
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31854 3721159 1 ClOSN4H17C23 ABCD4E17F23 94.37 7.12 -8.68 -1.0 0
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31855 3721220 3 ON2C7H8 AB2C7D8 8.66 7.01 -8.62 -0.88 0
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31856 3721221 2 O2N3C11H12 A2B3C11D12 -25.62 3.59 -8.57 -0.93 0
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31857 3721240 1 NO3H13C14 AB3C13D14 -38.47 3.18 -9.26 -1.3 0
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31858 3721242 1 ClSO3N4C22H27 ABC3D4E22F27 -98.23 10.69 -9.42 -1.04 0
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31859 3721308 1 N4O4C27H32 A4B4C27D32 -91.44 5.6 -8.54 -0.36 0
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31860 3721333 1 O3N4C28H32 A3B4C28D32 -17.02 2.77 -8.56 -1.13 0
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31861 3721400 1 FSN5O6C28H30 ABC5D6E28F30 -228.28 7.13 -9.86 -0.81 0
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31862 3721421 1 N2O5C14H18 A2B5C14D18 -207.64 6.04 -9.84 -1.04 0
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31863 3721584 1 O3N4C20H24 A3B4C20D24 -28.0 5.73 -9.26 -0.66 0
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31864 3721618 1 FON6C24H31 ABC6D24E31 32.4 6.89 -8.77 -0.28 0
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31865 3721670 4 NC6H8 AB6C8 4.92 3.91 -8.07 -0.11 0
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31866 3721697 1 ClO2N3C20H20 AB2C3D20E20 -58.65 5.35 -8.79 -0.5 0
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31867 3721700 1 Cl2O2N3C20H23 A2B2C3D20E23 -66.57 2.26 -9.25 -0.81 0
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31868 3721701 1 BrSO4N8H17C23 ABC4D8E17F23 78.75 3.56 -9.2 -1.68 0
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31869 3721843 1 F2O2N3H17C24 A2B2C3D17E24 -62.73 9.89 -9.03 -0.94 0
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31870 3721870 1 N2C15H22 A2B15C22 21.38 3.17 -7.79 0.33 0
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31871 3721936 1 NSO3C18H29 ABC3D18E29 -147.37 6.03 -9.18 -0.13 0
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31872 3722002 1 FSO4N5H26C27 ABC4D5E26F27 -68.64 10.78 -8.4 -0.96 0
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31873 3722003 1 S2N3O4H23C26 A2B3C4D23E26 -17.28 6.36 -7.99 -1.88 0
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31874 3722004 1 SN2O3H26C33 AB2C3D26E33 69.21 6.89 -8.6 -1.05 0
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31875 3722008 1 ClSN2O4H13C21 ABC2D4E13F21 -31.85 7.25 -9.1 -1.44 1
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31876 3722009 1 ClSN2O4H14C21 ABC2D4E14F21 -45.56 2.85 0.0 0.0 0
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31877 3722011 2 NOH10C12 ABC10D12 50.73 5.15 -8.31 -0.69 0
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31878 3722175 1 NSO3F6H7C13 ABC3D6E7F13 -363.9 2.77 -9.45 -1.33 0
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31879 3722210 1 O2S3C12H24 A2B3C12D24 -121.43 4.67 -9.0 -0.1 0
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31880 3722553 1 OS2N4H20C25 AB2C4D20E25 95.79 8.91 -8.63 -1.27 0
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31881 3722556 1 FSN4O4C25H25 ABC4D4E25F25 -113.28 3.54 -9.23 -1.26 0
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31882 3722559 1 SO2N3H17C23 AB2C3D17E23 41.12 3.38 -8.42 -1.46 0
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31883 3722564 1 O2S2N4H24C27 A2B2C4D24E27 83.01 4.53 -8.82 -1.0 0
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31884 3722591 1 ClNO6C19H22 ABC6D19E22 -256.17 8.64 -9.47 -1.49 0
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31885 3722621 1 SN4O5H10C12 AB4C5D10E12 -40.36 8.89 -10.26 -2.16 0
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31886 3722625 1 BrN2O2S2H15C20 AB2C2D2E15F20 42.69 2.49 -9.06 -1.52 0
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31887 3722659 1 SO3N4C21H28 AB3C4D21E28 -123.52 10.32 -8.54 -0.42 0
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31888 3722777 3 ON4C5H6 AB4C5D6 196.89 10.12 -8.4 -1.59 0
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31889 3722793 1 O2S3N4C18H24 A2B3C4D18E24 -27.45 4.6 -8.48 -0.95 0
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31890 3722796 1 ClNSF3O3H11C14 ABCD3E3F11G14 -240.63 5.8 -8.99 -1.6 0
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31891 3722797 1 BrNSO3H12C13 ABCD3E12F13 -71.74 5.31 -8.93 -1.12 0
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31892 3722869 1 SN4O5H20C25 AB4C5D20E25 -71.45 7.67 -9.04 -1.27 0
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31893 3722915 1 FNO3H18C25 ABC3D18E25 -52.31 5.14 -9.57 -0.48 0
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31894 3722916 1 N3O3C14H15 A3B3C14D15 -82.18 5.33 -8.94 -0.69 0
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31895 3722922 1 ClNO2H16C18 ABC2D16E18 -34.13 9.0 -8.62 -0.71 0
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31896 3722925 1 PO5C20H23 AB5C20D23 -211.17 3.7 -9.88 -0.37 0
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31897 3722930 1 OCl3F3N3H9C13 AB3C3D3E9F13 -106.09 5.18 -9.59 -0.69 0
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31898 3723177 1 FNO4H16C20 ABC4D16E20 -122.98 3.29 -9.04 -1.34 0
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31899 3723181 1 NO2C20H25 AB2C20D25 -61.69 3.08 -9.56 -0.15 0
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31900 3723182 1 O2N4H20C21 A2B4C20D21 -11.79 3.75 -8.49 -0.46 0
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31901 3723183 1 NO2C16H23 AB2C16D23 -99.84 3.93 -9.44 0.27 0
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31902 3723190 1 O3N6C19H26 A3B6C19D26 -39.98 5.61 -8.62 -0.51 0
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31903 3723193 1 BrF3N3O3C19H19 AB3C3D3E19F19 -217.12 2.67 -9.33 -1.0 0
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31904 3723201 1 ClNO4H28C32 ABC4D28E32 -65.88 6.4 -8.24 -1.25 0
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31905 3723210 1 BrClN3O4H17C26 ABC3D4E17F26 -25.22 5.57 -8.86 -1.33 0
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31906 3723211 1 BrCl2N2O4H15C22 AB2C2D4E15F22 -67.65 5.93 -9.04 -1.25 0
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31907 3723212 1 SN5O6H23C30 AB5C6D23E30 -31.22 1.73 -8.77 -1.47 0
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31908 3723234 1 N3O4C15H19 A3B4C15D19 -107.42 5.53 -9.21 -0.4 0
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31909 3723245 1 SCl2N2O3H14C18 AB2C2D3E14F18 -44.43 4.81 -8.9 -1.08 0
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31910 3723260 1 BN3O4C25H30 AB3C4D25E30 -194.62 6.92 -9.54 -1.16 0
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31911 3723273 1 N2O5C21H22 A2B5C21D22 -146.68 5.51 -8.37 -0.35 0
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31912 3723278 1 O3N4C28H40 A3B4C28D40 -97.8 2.21 -9.03 0.18 0
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31913 3723279 1 BrFSN2O2H10C14 ABCD2E2F10G14 -36.16 2.5 -9.93 -1.34 0
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31914 3723281 1 SN3O3C22H27 AB3C3D22E27 -79.04 3.22 -9.24 -0.37 0
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31915 3723283 1 BrNSO2F4H8C13 ABCD2E4F8G13 -228.21 4.53 -9.51 -1.29 0
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31916 3723284 1 SN3O5H17C18 AB3C5D17E18 -117.61 1.27 -9.76 -1.18 0
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31917 3723326 2 OC11H17 AB11C17 -96.44 5.62 -8.62 0.89 0
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31918 3723350 1 O2N3C8H9 A2B3C8D9 -14.46 2.59 -9.71 -0.72 0
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31919 3723550 1 O3N6C20H26 A3B6C20D26 -66.19 3.83 -9.09 -0.64 0
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31920 3723557 1 Cl2O2N3F6H11C20 A2B2C3D6E11F20 -328.26 3.86 -9.26 -1.74 0
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31921 3723560 1 BrNSO4C13H18 ABCD4E13F18 -156.24 5.27 -10.02 -1.1 0
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31922 3723563 2 NOC11H17 ABC11D17 -104.33 3.0 -8.54 0.22 0
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31923 3723581 1 SN2Cl3O4H17C24 AB2C3D4E17F24 -65.28 5.39 -9.29 -1.16 0
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31924 3723582 1 FS2O4H11C14 AB2C4D11E14 -156.72 4.81 -9.47 -1.16 0
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31925 3723585 1 S2N5C11H13 A2B5C11D13 94.82 5.87 -8.75 -1.08 0