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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413032 135085976 1 IO3H19C20 AB3C19D20 28.97 9.0 -8.74 -2.94 0
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413033 135085977 1 ClOSH13C18 ABCD13E18 94.54 2.12 -8.75 -0.4 0
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413034 135085978 1 FOSeH13C18 ABCD13E18 62.91 3.14 -8.7 -0.42 0
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413035 135085979 1 OSC20H28 ABC20D28 2.81 3.95 -8.51 -0.23 0
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413036 135085980 1 OSeC20H28 ABC20D28 -26.49 2.17 -8.2 -0.01 0
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413037 135085981 1 OC19H20 AB19C20 35.07 2.6 -9.32 0.22 0
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413038 135085982 1 OH16C18 AB16C18 53.97 1.97 -9.39 0.11 0
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413039 135085983 1 NO2C13H13 AB2C13D13 -21.29 5.46 -9.11 -0.09 0
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413040 135085984 1 PSiN4O13C47H59 ABC4D13E47F59 -575.79 9.32 -8.93 -0.38 0
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413041 135085985 1 PSiN4O13C47H59 ABC4D13E47F59 -577.78 8.03 -9.01 -0.55 0
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413042 135085986 1 PO2F6H9C14 AB2C6D9E14 -398.96 1.87 -10.62 -1.25 0
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413043 135085987 1 O3C11H16 A3B11C16 -89.6 2.92 -9.91 -0.04 0
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413044 135085988 1 NOSF3H12C17 ABCD3E12F17 -133.03 5.12 -9.12 -1.01 0
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413045 135085989 1 NSO2H15C17 ABC2D15E17 -12.91 5.51 -8.71 -0.48 0
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413046 135085990 1 ClN2O2C11H11 AB2C2D11E11 -16.84 1.56 -8.84 -0.86 0
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413047 135085991 1 PF2O3C16H17 AB2C3D16E17 -243.41 4.16 -9.28 -0.29 0
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413048 135085992 1 PF2O3C16H17 AB2C3D16E17 -247.12 5.25 -9.44 -0.25 0
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413049 135085993 1 O3C16H20 A3B16C20 -113.81 5.76 -9.69 -0.64 0
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413050 135085994 1 ClO3H15C21 AB3C15D21 -44.21 1.32 -9.69 -0.82 0
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413051 135085995 1 FNO3C12H14 ABC3D12E14 -120.04 1.57 -9.84 -0.86 0
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413053 135085997 1 N3O6C33H35 A3B6C33D35 -204.41 8.18 -8.55 -0.82 0
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413054 135085998 1 BrN2O8H33C34 AB2C8D33E34 -234.61 6.3 -8.21 -0.68 0
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413055 135085999 1 BrF3O3H10C13 AB3C3D10E13 -246.46 3.32 -10.25 -1.31 0
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413056 135086000 2 O2C7H9 A2B7C9 -154.82 0.68 -9.18 -0.52 0
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413057 135086001 1 O3C14H16 A3B14C16 -104.79 3.28 -9.54 -0.28 1
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413058 135086002 1 NOC15H16 ABC15D16 8.19 2.64 0.0 0.0 1
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413059 135086003 1 ClNF3H12C15 ABC3D12E15 -125.39 4.35 0.0 0.0 0
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413060 135086004 1 ClNF3H11C15 ABC3D11E15 -110.76 4.45 -9.57 -0.84 0
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413061 135086005 2 O4C7H8 A4B7C8 -292.99 4.25 -9.83 -0.68 0
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413062 135086006 1 NSO9C25H25 ABC9D25E25 -307.56 6.93 -8.77 -0.87 0
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413063 135086007 1 NBr2O2C13H15 AB2C2D13E15 -62.77 4.33 -9.86 -0.98 0
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413064 135086008 1 OC21H36 AB21C36 -68.36 1.36 -9.1 1.42 0
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413065 135086009 1 N2O5C14H14 A2B5C14D14 -110.75 3.55 -9.22 -1.22 0
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413066 135086010 1 BrSiN2C24H35 ABC2D24E35 22.44 2.93 -8.3 -0.25 0
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413067 135086011 1 IN2O2C15H17 AB2C2D15E17 -4.46 5.06 -8.87 -1.33 0
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413068 135086012 1 IN2O2C17H19 AB2C2D17E19 9.65 4.32 -8.94 -1.55 0
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413069 135086013 1 BrN2C23H23 AB2C23D23 107.52 2.24 -8.42 -0.35 0
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413070 135086014 1 N2O4H18C21 A2B4C18D21 -51.56 7.56 -8.72 -0.95 0
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413071 135086015 1 BrN2F3H8C12 AB2C3D8E12 -104.54 3.92 -9.13 -1.2 0
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413072 135086016 1 NO3H17C20 AB3C17D20 -48.73 2.56 -8.77 -0.96 0
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413073 135086017 1 BrN2C18H21 AB2C18D21 80.32 2.73 -8.36 -0.32 0
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413074 135086018 1 N2F3C18H21 A2B3C18D21 -133.04 3.03 -8.23 0.24 0
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413075 135086019 1 N4H16C23 A4B16C23 139.58 2.48 -8.82 -0.87 0
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413076 135086020 1 FNSO2H12C15 ABCD2E12F15 -24.51 5.82 -8.6 -0.36 0
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413077 135086021 1 ClNSO2H12C15 ABCD2E12F15 13.13 6.39 -8.58 -0.44 0
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413078 135086022 1 N3O5C19H19 A3B5C19D19 -59.79 5.4 -8.05 -1.49 1
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413079 135086023 1 N4H13C14 A4B13C14 145.82 2.15 0.0 0.0 1
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413080 135086024 1 N4H15C18 A4B15C18 155.65 3.29 0.0 0.0 1
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413081 135086025 1 N4C14H15 A4B14C15 109.0 2.38 0.0 0.0 0
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413082 135086026 1 BrNOSH8C13 ABCDE8F13 42.81 2.04 -8.89 -1.2 0
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413083 135086027 1 NSO2H15C16 ABC2D15E16 13.78 4.29 -8.48 -0.24 0
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413084 135086028 1 BrOC14H17 ABC14D17 -5.32 3.84 -9.68 -0.27 0
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413085 135086029 1 ClFOS2H14C19 ABCD2E14F19 -9.73 4.79 -8.84 -0.99 0
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413086 135086030 1 NO3C10H17 AB3C10D17 -128.62 1.85 -9.12 0.74 0
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413087 135086031 1 O3C12H20 A3B12C20 -144.44 1.83 -9.73 0.3 0
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413088 135086032 1 O3C14H16 A3B14C16 -94.53 3.68 -9.84 -0.69 0
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413089 135086033 1 BO2C13H27 AB2C13D27 -184.58 1.84 -9.59 1.09 0
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413090 135086034 1 O3C10H10 A3B10C10 -47.65 3.75 -9.82 -0.24 0
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413091 135086035 1 SN2O3C7H10 AB2C3D7E10 -80.94 3.87 -8.97 -0.06 0
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413092 135086036 1 NOC13H15 ABC13D15 1.49 4.71 -9.18 -0.91 0
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413093 135086037 1 INOC12H20 ABCD12E20 -48.22 3.5 -9.18 -0.99 0
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413094 135086038 1 BrNSO2C12H18 ABCD2E12F18 -10.52 5.3 -9.82 -1.83 0
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413095 135086039 1 SN4O4H16C20 AB4C4D16E20 90.43 9.61 -9.43 -1.75 0
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413097 135086041 1 SN2O4C15H20 AB2C4D15E20 -99.1 4.7 -8.98 -0.4 0
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413098 135086042 1 SN2O4C15H20 AB2C4D15E20 -96.81 4.55 -8.72 -0.32 0
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413099 135086043 1 N4O6C25H30 A4B6C25D30 -160.76 3.8 -8.68 -0.48 0
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413100 135086044 1 BrN4O4C22H25 AB4C4D22E25 -63.99 4.01 -8.8 -0.33 0
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413101 135086045 1 O3N4H6C9 A3B4C6D9 81.25 4.95 -10.23 -1.98 0
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413102 135086046 2 NO2H7C8 AB2C7D8 -53.9 4.62 -9.64 -0.86 0
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413103 135086047 1 NO4H15C17 AB4C15D17 -65.99 4.79 -9.3 -1.02 0
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413104 135086048 1 NOSC13H17 ABCD13E17 23.73 3.61 -8.39 0.06 0
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413105 135086049 1 NSSiO2C24H33 ABCD2E24F33 -41.83 4.31 -8.45 0.16 0
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413106 135086050 1 NSO4C21H31 ABC4D21E31 -163.85 5.85 -10.05 -0.62 0
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413107 135086051 1 ClNC13H16 ABC13D16 40.14 3.98 -8.34 -0.19 0
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413108 135086052 1 SO2N4H26C27 AB2C4D26E27 114.82 6.49 -8.54 -0.54 0