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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194095 78482204 1 F3N3O3C16H21 A3B3C3D16E21 -240.61 13.49 0.0 0.0 1
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194096 78482492 1 N2S2O4C18H21 A2B2C4D18E21 -92.06 5.48 0.0 0.0 2
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194097 78482567 1 ClFN2O2C16H22 ABC2D2E16F22 -88.59 2.16 -9.09 -0.96 2
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194098 78482628 1 ON5C9H17 AB5C9D17 45.79 13.89 -7.3 0.23 0
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194099 78483267 1 OSCl2N2H16C17 ABC2D2E16F17 11.0 6.06 -9.18 -0.95 1
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194100 78483285 1 O3N4C21H23 A3B4C21D23 -19.51 6.61 0.0 0.0 -1
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194101 78483838 1 ClN3O3H13C17 AB3C3D13E17 17.23 17.88 0.0 0.0 1
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194102 78483839 1 O3N4C20H25 A3B4C20D25 -69.52 7.62 0.0 0.0 1
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194103 78483840 1 N4O4C21H23 A4B4C21D23 -78.37 4.57 0.0 0.0 -1
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194104 78483841 1 SN2O4H19C22 AB2C4D19E22 -33.99 3.4 0.0 0.0 2
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194105 78483842 1 N4C9H18 A4B9C18 73.41 5.18 -6.36 0.66 1
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194106 78483843 1 SN3O5C18H28 AB3C5D18E28 -175.1 13.88 0.0 0.0 1
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194107 78484063 1 SO2N3C19H28 AB2C3D19E28 -18.56 11.38 0.0 0.0 1
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194108 78484064 1 SO2N3C21H30 AB2C3D21E30 -10.29 4.32 0.0 0.0 1
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194109 78484065 1 FOSN3C24H31 ABCD3E24F31 -19.12 4.19 0.0 0.0 0
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194110 78484176 1 N3O5C18H27 A3B5C18D27 -113.14 27.19 -7.4 -0.5 1
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194111 78484177 1 N2O2C18H25 A2B2C18D25 -69.43 6.17 0.0 0.0 1
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194112 78484178 1 N2O3C10H17 A2B3C10D17 -114.4 4.13 0.0 0.0 2
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194113 78484179 1 ClON2C26H29 ABC2D26E29 122.31 3.66 -4.52 -0.34 0
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194114 78484180 1 NO4C26H33 AB4C26D33 -167.27 0.99 -8.57 -0.67 1
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194115 78484615 1 ON2C14H21 AB2C14D21 -20.97 6.1 0.0 0.0 1
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194116 78484616 1 NO2C21H30 AB2C21D30 -30.34 5.7 0.0 0.0 0
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194117 78484617 1 FSN3O3C16H18 ABC3D3E16F18 -101.34 5.55 -9.26 -1.36 2
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194118 78484618 1 N3O4C21H25 A3B4C21D25 -0.04 11.96 -7.07 -1.1 0
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194119 78484619 1 ClFOSN2H12C16 ABCDE2F12G16 3.02 5.49 -9.09 -1.1 1
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194120 78485363 1 ClSN3O3C15H23 ABC3D3E15F23 -91.07 6.68 0.0 0.0 0
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194121 78486401 1 BrO3N4H15C17 AB3C4D15E17 -7.86 7.15 -9.99 -1.48 0
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194122 78486652 2 N2O2C8H13 A2B2C8D13 -165.7 2.67 -8.64 -0.76 0
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194123 78487430 1 ClO4H21C22 AB4C21D22 -126.98 6.56 -9.3 -1.2 -1
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194124 78487563 1 N2O4H19C20 A2B4C19D20 -64.25 8.0 0.0 0.0 -1
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194125 78487564 1 N2O4C21H21 A2B4C21D21 -60.63 4.94 0.0 0.0 1
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194126 78487736 1 OSCl2N2C16H21 ABC2D2E16F21 -31.47 12.52 0.0 0.0 1
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194127 78487737 1 N3O4C23H30 A3B4C23D30 14.4 7.56 0.0 0.0 1
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194128 78488035 1 SN3O4C9H16 AB3C4D9E16 -151.69 6.86 0.0 0.0 1
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194129 78488108 1 SN2O5C15H19 AB2C5D15E19 -182.27 3.08 0.0 0.0 1
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194130 78488367 1 SN3O5C18H30 AB3C5D18E30 -183.92 3.37 0.0 0.0 0
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194131 78488413 1 NO4C18H19 AB4C18D19 -142.19 5.47 -8.64 -0.94 0
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194132 78488414 1 O4C19H20 A4B19C20 -132.91 2.46 -9.52 -0.56 0
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194133 78489216 1 SO2N4C19H22 AB2C4D19E22 -31.89 5.9 -9.34 -0.58 0
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194134 78489268 1 FSO3N4C15H21 ABC3D4E15F21 -148.77 7.0 -9.15 -0.67 0
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194135 78489513 1 NO4C20H23 AB4C20D23 -156.89 7.42 -9.29 -1.28 0
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194136 78489593 1 ClN2O6H17C20 AB2C6D17E20 -99.88 7.7 -9.35 -1.52 0
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194137 78489808 1 BrClO4H14C18 ABC4D14E18 -110.32 1.27 -9.12 -1.13 0
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194138 78490098 1 SN4O4C20H22 AB4C4D20E22 -98.8 6.93 -9.08 -0.76 0
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194139 78490475 1 SO3N4C19H26 AB3C4D19E26 -111.78 4.27 -9.16 -0.4 0
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194140 78490553 1 FSO3N4C16H17 ABC3D4E16F17 -94.92 3.56 -9.22 -0.8 0
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194141 78490554 1 FSO3N4C17H19 ABC3D4E17F19 -110.97 3.49 -9.16 -0.83 0
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194142 78491021 2 NO2C9H12 AB2C9D12 -172.72 6.59 -9.77 -1.02 0
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194143 78491136 1 OSN3C22H27 ABC3D22E27 -11.46 3.74 -7.97 -0.18 0
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194144 78491137 1 SO2N3C20H27 AB2C3D20E27 -62.68 4.34 -8.41 -0.04 1