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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136962 52130649 1 ClN2O3C22H25 AB2C3D22E25 -65.35 2.16 -8.75 -0.96 1
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136963 52130771 1 N2O3C23H33 A2B3C23D33 -73.44 14.04 0.0 0.0 0
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136964 52131526 1 ClNSO3H16C21 ABCD3E16F21 -14.17 3.64 -8.78 -1.01 0
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136965 52131618 1 ClN2O2C21H21 AB2C2D21E21 -17.05 2.04 -8.98 -1.03 0
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136966 52131842 1 FNO4H16C25 ABC4D16E25 -70.52 1.92 -9.09 -1.16 0
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136967 52131997 1 ClFNO3H19C21 ABCD3E19F21 -107.83 4.37 -9.45 -0.88 0
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136968 52132539 1 O4N7C12H17 A4B7C12D17 -11.74 3.19 -9.71 -0.99 0
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136969 52132585 2 ON4C12H12 AB4C12D12 100.64 6.01 -8.83 -1.06 0
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136970 52132676 1 OSN7C15H19 ABC7D15E19 60.7 7.21 -9.26 -1.11 0
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136971 52132740 1 SN5C18H23 AB5C18D23 82.74 4.73 -8.68 -0.39 0
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136972 52132741 1 SN5C15H23 AB5C15D23 54.19 5.06 -8.84 -0.38 0
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136973 52133092 1 SN5C13H19 AB5C13D19 83.9 6.5 -8.32 0.01 0
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136974 52133136 1 OSN6C14H22 ABC6D14E22 15.66 8.53 -8.59 -0.18 0
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136975 52133235 1 SO2N6C16H22 AB2C6D16E22 -14.43 8.4 -8.81 -0.54 0
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136976 52133236 1 SO2N6C17H24 AB2C6D17E24 -24.1 6.03 -9.05 -1.0 0
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136977 52133595 1 OSN6C15H22 ABC6D15E22 40.65 3.39 -8.59 -0.35 0
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136978 52134012 1 OSN4C10H18 ABC4D10E18 -11.41 4.27 -9.06 -0.46 0
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136979 52134085 1 SO2N6C16H20 AB2C6D16E20 28.66 1.92 -9.07 -0.8 0
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136980 52134086 1 SO2N6C16H24 AB2C6D16E24 -15.36 2.24 -8.93 -0.59 1
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136981 52134310 1 SN6C17H29 AB6C17D29 50.18 4.69 0.0 0.0 0
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136982 52134460 1 SO2N6C16H24 AB2C6D16E24 -28.08 6.32 -9.19 -0.65 0
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136983 52134572 1 SN5C15H25 AB5C15D25 44.16 5.66 -8.72 0.02 0
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136984 52134735 1 SO2N5C15H23 AB2C5D15E23 -6.96 1.61 -9.08 -0.66 0
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136985 52134917 1 SN5C15H23 AB5C15D23 59.77 4.95 -8.95 -0.11 0
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136986 52134961 1 FNSO2C17H20 ABCD2E17F20 -96.65 5.3 -9.56 -0.18 0