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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132836 51429789 3 NO2C6H7 AB2C6D7 -138.93 10.16 -8.99 -1.52 0
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132837 51429915 1 SO2N5C19H29 AB2C5D19E29 -47.0 3.75 -8.57 -0.25 0
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132838 51430254 2 NOC11H13 ABC11D13 -33.06 2.73 -8.68 -0.08 0
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132839 51430338 1 SN3O3C20H21 AB3C3D20E21 -66.56 4.06 -8.6 -0.81 -1
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132840 51430401 1 ClNSO2F3H6C12 ABCD2E3F6G12 -132.82 4.47 0.0 0.0 -1
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132841 51430406 1 ClFNSO2H10C13 ABCDE2F10G13 -61.54 2.15 0.0 0.0 -1
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132842 51430552 3 ON2C7H7 AB2C7D7 9.83 5.95 0.0 0.0 -1
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132843 51431403 1 OS2N4H9C17 AB2C4D9E17 140.45 6.32 0.0 0.0 0
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132844 51431436 1 BrN3O5C16H20 AB3C5D16E20 -206.87 3.33 -10.03 -1.04 0
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132845 51431439 1 OSN4C21H34 ABC4D21E34 -37.27 3.92 -8.49 -0.15 -1
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132846 51431937 1 O2S2N3C14H14 A2B2C3D14E14 22.52 6.43 0.0 0.0 0
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132847 51432309 1 SO2N3C20H27 AB2C3D20E27 -85.82 5.37 -8.85 -0.64 0
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132848 51432310 1 ClOSN5C16H20 ABCD5E16F20 25.7 3.12 -9.56 -1.23 0
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132849 51432456 1 N3O5C20H27 A3B5C20D27 -221.75 3.15 -9.61 -0.19 1
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132850 51432573 1 NCl2O3C19H24 AB2C3D19E24 -92.71 8.18 0.0 0.0 0
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132851 51432926 1 OSN6C19H22 ABC6D19E22 49.81 6.14 -8.73 -0.73 0
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132852 51432927 1 O2S2N6C17H18 A2B2C6D17E18 65.59 4.53 -8.92 -1.17 0
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132853 51432928 1 SO2N7C18H25 AB2C7D18E25 -6.7 6.32 -9.05 -0.83 0
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132854 51432929 1 SO2N6C19H26 AB2C6D19E26 10.09 4.51 -8.88 -0.98 0
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132855 51432930 1 SO3N5C19H25 AB3C5D19E25 -55.26 5.19 -8.81 -0.62 0
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132856 51432931 1 SO2N5C20H29 AB2C5D20E29 -45.42 3.44 -8.82 -0.6 0
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132857 51432932 1 SO2N5C20H33 AB2C5D20E33 -75.52 6.32 -8.73 -0.46 0
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132858 51432933 1 SO2N5C20H33 AB2C5D20E33 -74.22 3.33 -8.74 -0.49 0
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132859 51432934 1 SO2N5C20H33 AB2C5D20E33 -73.26 8.32 -8.88 -0.62 -1
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132860 51433656 1 NO6C25H28 AB6C25D28 -162.57 6.49 0.0 0.0 1