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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321057 126664597 1 ClSF3O3N5C29H31 ABC3D3E5F29G31 -171.2 5.53 -9.08 -0.64 0
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321058 126664601 1 ClFSN4O4C30H42 ABCD4E4F30G42 -205.76 6.64 -8.43 -0.29 0
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321059 126664603 1 ClFSN4O4C30H40 ABCD4E4F30G40 -205.97 7.9 -8.93 -0.18 0
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321060 126664606 1 ClFSN4O4C31H44 ABCD4E4F31G44 -169.79 7.35 -8.66 -0.22 0
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321061 126664607 1 SN4F5O5C32H35 AB4C5D5E32F35 -383.23 1.36 -8.3 -1.04 0
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321062 126664609 1 ClFSO4N5C30H41 ABCD4E5F30G41 -169.18 11.94 -9.11 -0.54 0
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321063 126664610 1 ClS2N4O5C28H45 AB2C4D5E28F45 -201.41 4.7 -8.78 -0.23 0
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321064 126664612 2 NO2C10H12 AB2C10D12 -124.0 5.09 -8.81 0.09 0
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321065 126664617 1 ClSF3O3N5C31H35 ABC3D3E5F31G35 -200.45 9.16 -9.02 -0.42 0
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321066 126664618 1 F2S2N5O5C30H43 A2B2C5D5E30F43 -247.7 8.73 -8.5 -0.09 0
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321067 126664619 1 SF3N5O6C31H36 AB3C5D6E31F36 -303.49 5.63 -8.83 -0.55 0
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321068 126664621 1 SF3N5O6C31H34 AB3C5D6E31F34 -317.89 11.65 -9.07 -0.65 0
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321069 126664625 1 ClFSN4O6C33H46 ABCD4E6F33G46 -276.55 6.52 -8.97 -0.52 0
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321070 126664626 1 ClO2F4N4H9C15 AB2C4D4E9F15 -166.86 1.68 -9.96 -1.62 0
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321071 126664628 1 ClSF2O4N5C30H42 ABC2D4E5F30G42 -226.6 8.85 -8.81 -0.6 0
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321072 126664632 1 ClFSO4N6C31H40 ABCD4E6F31G40 -125.4 6.18 -8.44 -0.55 0
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321073 126664633 1 ClFSO4N5C32H47 ABCD4E5F32G47 -201.82 6.79 -8.45 -0.56 0
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321074 126664634 1 ClSN4O5C28H43 ABC4D5E28F43 -214.37 10.21 -9.43 -0.23 0
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321075 126664635 1 FSN4O4C31H51 ABC4D4E31F51 -226.2 5.59 -8.34 -0.1 0
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321076 126664637 1 ClFSN4O6C32H42 ABCD4E6F32G42 -259.52 4.43 -9.08 -0.33 0
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321077 126664638 1 ClSN4O5C28H45 ABC4D5E28F45 -214.19 8.97 -8.6 -0.24 0
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321078 126664645 1 ClSF4N5O5C31H34 ABC4D5E5F31G34 -330.93 5.01 -8.51 -1.18 0
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321079 126664646 1 ClSF3N4O5C29H36 ABC3D4E5F29G36 -312.98 3.19 -8.44 -0.72 0
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321080 126664648 1 ClFSN4O6C30H40 ABCD4E6F30G40 -259.38 3.92 -8.44 -0.65 0
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321081 126664649 1 ClFSN4O6C30H38 ABCD4E6F30G38 -246.16 4.47 -9.17 -0.57 0
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321082 126664650 2 ON3C10H10 AB3C10D10 16.36 10.49 -8.94 -1.42 0
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321083 126664653 1 SO3N6C18H22 AB3C6D18E22 -48.39 4.97 -8.65 -1.18 0
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321084 126664662 1 SF4O5N6C35H38 AB4C5D6E35F38 -288.52 4.86 -9.67 -0.55 0
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321085 126664680 1 SF2N4O4C29H42 AB2C4D4E29F42 -248.96 1.22 -8.66 -0.5 0
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321086 126664685 1 BrON6C16H17 ABC6D16E17 39.36 6.2 -8.86 -1.32 0
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321087 126664691 1 SO4N6H18C19 AB4C6D18E19 -59.39 9.01 -8.64 -1.43 0
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321088 126664694 1 SO4N6C19H20 AB4C6D19E20 -60.13 11.1 -8.76 -1.34 0
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321089 126664695 1 SF4N4O5C31H32 AB4C4D5E31F32 -299.2 7.84 -9.1 -1.06 0
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321090 126664697 1 SF4N4O5C30H38 AB4C4D5E30F38 -371.27 2.96 -8.51 -0.65 0
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321091 126664722 1 ClISO6N7H27C30 ABCD6E7F27G30 -57.66 4.53 -8.26 -1.53 0
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321093 126664737 1 SF2N4O4C30H42 AB2C4D4E30F42 -195.86 6.86 -8.05 -0.13 0
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321094 126664738 1 ClSO3N6C18H21 ABC3D6E18F21 -61.51 7.83 -8.43 -1.0 0
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321095 126664740 1 SO5N6C19H20 AB5C6D19E20 -136.89 2.65 -8.6 -1.33 0
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321096 126664762 1 ClSO6N9C41H44 ABC6D9E41F44 -154.5 7.63 -8.04 -0.25 0
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321097 126664777 1 O5N6C30H32 A5B6C30D32 -90.96 9.67 -8.99 -1.4 0
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321098 126664786 1 SN2O5C8H16 AB2C5D8E16 -207.83 6.99 -10.15 -0.04 0
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321100 126664850 1 SN2C11H25 AB2C11D25 -5.12 3.04 0.0 0.0 1
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321101 126664890 1 SN2C25H47 AB2C25D47 -45.56 1.67 0.0 0.0 0
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321102 126664891 1 BrSN2C15H33 ABC2D15E33 -52.7 11.05 -7.87 0.31 1
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321103 126664892 1 SN2C15H33 AB2C15D33 -12.26 2.73 0.0 0.0 0
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321104 126664893 1 BrSN3C12H24 ABC3D12E24 -15.96 5.76 -7.83 0.26 1
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321105 126664894 1 SN3C12H24 AB3C12D24 9.34 1.67 0.0 0.0 0
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321106 126664895 1 BrSN2C25H47 ABC2D25E47 -30.79 18.35 -7.1 -2.14 0
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321107 126664897 1 BrSN2C20H43 ABC2D20E43 -7.47 80.42 -4.68 -2.81 1
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321108 126664902 1 SN2C11H25 AB2C11D25 6.05 3.56 0.0 0.0 0
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321109 126664907 1 BrSN2C8H19 ABC2D8E19 -17.58 10.04 -7.98 -0.54 1
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321110 126664910 1 SN2C28H59 AB2C28D59 -66.6 2.62 0.0 0.0 1
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321111 126664911 1 N5C25H44 A5B25C44 67.83 6.43 0.0 0.0 1
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321112 126664913 1 SN3C13H26 AB3C13D26 7.77 2.06 0.0 0.0 1
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321113 126664914 1 N7C23H42 A7B23C42 114.26 4.08 0.0 0.0 1
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321114 126664920 1 SN2C18H39 AB2C18D39 -27.73 3.64 0.0 0.0 0
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321115 126664921 1 BrSN2C11H19 ABC2D11E19 1.77 4.62 -7.82 -1.29 0
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321116 126664923 1 BrSN2C8H21 ABC2D8E21 -23.92 11.73 -7.99 0.09 1
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321117 126664927 1 SN3C9H18 AB3C9D18 26.81 3.49 0.0 0.0 0
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321118 126664937 1 BrSN2C18H33 ABC2D18E33 -33.98 7.87 -7.72 -1.17 1
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321119 126664944 1 SN3C10H20 AB3C10D20 19.14 0.98 0.0 0.0 0
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321120 126664945 1 BrSN2C16H35 ABC2D16E35 -54.1 11.45 -7.96 0.0 1
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321121 126664948 1 SN2C9H23 AB2C9D23 9.49 2.75 0.0 0.0 1
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321122 126664952 1 SN2C32H67 AB2C32D67 -88.18 1.89 0.0 0.0 1
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321123 126664954 1 SN2C32H67 AB2C32D67 -94.84 3.35 0.0 0.0 0
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321124 126664957 1 BrSN3C9H18 ABC3D9E18 -7.66 2.81 -8.22 -0.19 1
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321125 126664962 1 SN2C25H55 AB2C25D55 -65.24 2.31 0.0 0.0 1
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321126 126664968 1 SN2C25H55 AB2C25D55 -64.79 3.05 0.0 0.0 1
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321127 126664972 1 NSC9H14 ABC9D14 17.56 1.08 0.0 0.0 0
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321128 126664976 1 BrSN2C13H29 ABC2D13E29 -40.6 12.23 -7.87 0.13 0
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321129 126664981 1 BrSN2C15H33 ABC2D15E33 -51.86 10.6 -7.84 0.16 0
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321130 126664983 1 BrSN2C15H27 ABC2D15E27 -19.21 7.58 -7.76 -1.2 1
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321131 126664984 1 SN2C15H27 AB2C15D27 -7.16 3.71 0.0 0.0 0
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321132 126664985 1 BrSN2C8H21 ABC2D8E21 -18.02 11.75 -7.88 -0.28 1
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321133 126664986 1 SN2C8H21 AB2C8D21 13.39 4.23 0.0 0.0 1