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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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433851 135173994 1 ON6C17H24 AB6C17D24 32.29 7.65 -8.13 0.24 0
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433852 135173995 1 ON6C16H20 AB6C16D20 46.51 2.99 -8.47 -0.2 0
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433853 135173996 1 FO2N8H21C23 AB2C8D21E23 -1.92 4.98 -8.58 -1.08 0
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433854 135173997 1 BrFON2C12H12 ABCD2E12F12 -32.99 3.32 -9.01 -0.71 0
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433855 135173998 1 FSO4N8H21C23 ABC4D8E21F23 -82.51 11.38 -8.67 -1.08 0
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433856 135173999 1 FSO2N8H21C23 ABC2D8E21F23 5.78 3.94 -8.31 -0.58 0
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433857 135174000 1 ClO2C7H15 AB2C7D15 -142.96 2.77 -10.72 0.7 0
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433859 135174002 1 ClNSO3C15H20 ABCD3E15F20 -86.73 6.63 -8.88 -0.49 0
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433860 135174003 1 ClNSO4C15H24 ABCD4E15F24 -171.8 8.04 -8.93 -0.74 0
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433861 135174004 1 ClNSO3C18H26 ABCD3E18F26 -116.31 4.12 -8.69 0.14 0
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433862 135174005 1 ClNSO3C12H18 ABCD3E12F18 -113.92 5.27 -9.01 -0.62 0
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433863 135174006 1 P3O12N19C77H88 A3B12C19D77E88 -306.63 5.87 -8.42 -0.79 0
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433864 135174007 1 ClNSO4C15H24 ABCD4E15F24 -182.78 7.45 -9.66 -0.36 0
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433865 135174008 1 PO4N8C21H27 AB4C8D21E27 -82.86 2.25 -8.95 -0.4 0
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433866 135174009 1 PO4N6C25H31 AB4C6D25E31 -111.85 1.53 -9.02 -0.47 0
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433867 135174010 1 ClPO4N6C24H28 ABC4D6E24F28 -111.93 2.93 -8.84 -0.29 0
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433868 135174011 1 NSO4C11H13 ABC4D11E13 -99.24 8.81 -9.12 -0.33 0
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433869 135174012 1 ClNSO5C15H20 ABCD5E15F20 -178.53 4.97 -9.58 -0.86 0
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433870 135174013 1 PSO4N6C22H27 ABC4D6E22F27 -99.27 5.67 -8.73 -0.24 0
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433871 135174014 1 SO2C7H14 AB2C7D14 -108.74 1.37 -8.91 0.31 0
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433872 135174015 1 O2N3C7H13 A2B3C7D13 -24.56 1.81 -9.85 0.08 0
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433873 135174016 1 FO3C8H15 AB3C8D15 -196.81 1.89 -9.9 1.49 0
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433874 135174017 1 O2C7H12 A2B7C12 -74.62 2.03 -9.6 0.68 0
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433875 135174018 1 Cl2N5O5C39H39 A2B5C5D39E39 -78.12 3.07 -8.12 -1.31 0
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433876 135174019 1 Cl2O5N6H30C34 A2B5C6D30E34 -77.62 6.71 -8.55 -1.1 0
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433877 135174020 1 ClSN2C13H13 ABC2D13E13 40.37 2.54 -9.13 -0.68 0
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433878 135174021 1 N3O8C32H39 A3B8C32D39 -283.6 8.45 -8.9 -0.44 0
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433879 135174022 1 NPO4F5H23C24 ABC4D5E23F24 -392.9 7.62 -9.33 -1.04 0
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433880 135174023 1 NO3C17H27 AB3C17D27 -159.36 2.45 -9.13 0.47 0
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433881 135174024 1 PN5O5C25H30 AB5C5D25E30 -156.48 2.28 -8.78 -0.2 0
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433882 135174025 1 NPO4C19H26 ABC4D19E26 -148.49 0.87 -9.18 0.07 1
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433883 135174026 1 PO4N5C15H19 AB4C5D15E19 -109.33 2.77 0.0 0.0 0
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433884 135174027 1 O3N7C38H41 A3B7C38D41 45.14 0.73 -8.24 -0.86 0
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433885 135174028 1 PO4N6C27H35 AB4C6D27E35 -134.91 5.43 -8.98 -0.42 0
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433886 135174029 1 ClO6N7C37H38 AB6C7D37E38 -113.26 6.82 -7.12 -1.58 0
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433887 135174030 1 PO4N6C26H33 AB4C6D26E33 -126.25 3.0 -8.98 -0.42 0
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433888 135174031 1 PO4N6C25H31 AB4C6D25E31 -117.26 6.9 -9.02 -0.63 0
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433889 135174033 1 PO4N6C25H31 AB4C6D25E31 -117.29 5.38 -9.09 -0.57 0
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433890 135174035 1 NPO4F5H21C23 ABC4D5E21F23 -383.84 2.57 -9.45 -1.16 0
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433891 135174038 1 SN2C19H20 AB2C19D20 101.4 2.87 -7.63 -0.69 0
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433892 135174039 1 ClNPO3C17H21 ABCD3E17F21 -160.83 7.02 -9.37 -0.26 0
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433893 135174040 1 PO3N6C23H31 AB3C6D23E31 -18.01 4.29 -8.21 0.0 0
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433894 135174041 1 FO2N7C36H38 AB2C7D36E38 -5.85 6.86 -8.22 -0.75 0
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433895 135174042 1 PO4N6C25H31 AB4C6D25E31 -115.3 3.86 -9.04 -0.48 0
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433896 135174043 1 SO2N6C37H40 AB2C6D37E40 20.8 6.13 -8.16 -0.83 0
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433897 135174044 1 O4N8C35H36 A4B8C35D36 5.2 4.56 -7.17 -1.63 0
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433898 135174045 1 FO2N6H29C32 AB2C6D29E32 22.52 5.74 -8.21 -1.05 0
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433899 135174046 1 ClON5H24C31 ABC5D24E31 117.35 3.21 -8.23 -1.13 0
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433900 135174047 1 O2N7C28H33 A2B7C28D33 -8.61 2.61 -8.39 -0.56 0
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433901 135174048 1 ClO3N5C24H26 AB3C5D24E26 -39.7 6.49 -8.58 -0.47 0
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433902 135174049 1 N9C38H41 A9B38C41 151.89 4.36 -8.44 -0.99 0
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433903 135174050 1 O3N7C43H47 A3B7C43D47 3.44 2.97 -8.07 -0.68 0
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433904 135174051 1 ClON8C35H39 ABC8D35E39 64.57 6.59 -8.04 -0.68 0
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433905 135174052 1 O2N7C38H41 A2B7C38D41 59.27 2.6 -8.15 -0.76 0
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433906 135174053 1 PO4N6C25H31 AB4C6D25E31 -112.99 5.44 -9.04 -0.49 0
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433907 135174054 1 FPN3O8C31H35 ABC3D8E31F35 -396.37 5.11 -9.04 -0.72 0
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433908 135174055 1 FPN3O8C31H35 ABC3D8E31F35 -398.4 9.56 -9.26 -0.98 0
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433909 135174056 1 FPN3O8C27H33 ABC3D8E27F33 -406.22 5.83 -9.29 -0.7 0
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433910 135174057 1 FPN3O8C26H31 ABC3D8E26F31 -407.86 6.79 -9.44 -0.75 0
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433911 135174058 1 ON9C38H41 AB9C38D41 114.79 3.98 -8.49 -1.05 0
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433912 135174059 1 PO4N6C26H33 AB4C6D26E33 -117.48 4.37 -9.07 -0.54 0
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433913 135174060 1 FPN3O8C28H33 ABC3D8E28F33 -386.9 5.45 -9.14 -0.66 0
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433914 135174061 1 FPN3O8C27H33 ABC3D8E27F33 -412.05 9.41 -9.21 -0.59 0
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433915 135174062 1 ClPO3N5H15C16 ABC3D5E15F16 -23.7 6.01 -9.23 -0.68 0
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433916 135174063 1 PN2O3C20H29 AB2C3D20E29 -117.36 4.74 -8.91 -0.01 0
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433917 135174064 1 BrN8H31C34 AB8C31D34 167.35 3.57 -8.37 -1.31 0
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433918 135174065 1 PN2O3C20H29 AB2C3D20E29 -115.22 1.65 -8.86 0.26 0
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433919 135174066 1 PO4N6C25H31 AB4C6D25E31 -114.19 4.3 -8.83 -0.25 0
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433920 135174067 1 ClO2N8C36H37 AB2C8D36E37 34.84 6.58 -8.14 -0.66 0
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433921 135174068 1 ClO3N8C42H47 AB3C8D42E47 -29.29 6.56 -8.16 -0.69 0
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433922 135174069 1 O4N7C38H39 A4B7C38D39 -3.62 5.97 -8.43 -0.68 0
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433923 135174070 1 ClON8C35H37 ABC8D35E37 75.52 7.06 -8.0 -0.7 0
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433924 135174071 1 ClO3N7C45H46 AB3C7D45E46 80.41 3.48 -8.19 -1.65 0
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433925 135174072 1 BrN3O3C20H22 AB3C3D20E22 -41.68 1.79 -9.33 -0.85 0
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433926 135174073 1 ClSO2N7C33H34 ABC2D7E33F34 39.95 4.27 -8.5 -0.82 0