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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174388 75759060 1 N3O4C26H35 A3B4C26D35 -147.5 3.66 -9.1 -0.55 0
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174389 75759122 1 N3O4C29H41 A3B4C29D41 -178.5 4.8 -9.09 -0.14 0
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174390 75759730 1 ClN2O4C30H37 AB2C4D30E37 -138.64 2.44 -8.7 -0.42 0
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174391 75760169 1 N2O3C29H32 A2B3C29D32 -70.41 6.66 -8.52 -0.42 0
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174392 75760282 1 SN2O6C27H32 AB2C6D27E32 -199.21 6.2 -8.94 -0.75 0
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174393 75760786 1 N2O3C23H30 A2B3C23D30 -113.2 6.08 -9.03 -0.18 0
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174394 75760946 1 N2O3C24H30 A2B3C24D30 -80.64 3.06 -8.99 -0.1 0
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174395 75761126 2 NOC15H23 ABC15D23 -117.92 3.81 -9.31 -0.19 0
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174396 75761127 2 NOC16H26 ABC16D26 -136.54 6.06 -9.32 -0.27 0
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174397 75761128 2 NOC14H22 ABC14D22 -113.48 2.33 -9.49 -0.03 0
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174398 75761129 1 N2O3C27H36 A2B3C27D36 -104.02 2.65 -9.29 -0.07 0
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174399 75761130 1 N2O3C29H38 A2B3C29D38 -95.8 6.75 -9.37 -0.09 0
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174400 75761131 1 N2O3C31H44 A2B3C31D44 -116.31 5.55 -9.37 -0.1 0
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174401 75761132 1 N2O3C27H36 A2B3C27D36 -96.94 3.09 -9.3 -0.2 0
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174402 75761133 1 Cl2N2O2C29H36 A2B2C2D29E36 -81.44 4.0 -9.08 -0.81 0
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174403 75761134 1 Cl2N2O2C29H36 A2B2C2D29E36 -76.35 1.21 -9.25 -0.7 0
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174404 75761135 1 N3O4C29H37 A3B4C29D37 -71.19 8.6 -9.19 -1.36 0
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174405 75761136 1 N3O4C29H37 A3B4C29D37 -70.68 7.28 -9.83 -1.41 0
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174406 75761137 2 NOC13H19 ABC13D19 -90.04 3.16 -9.48 -0.04 0
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174407 75761138 2 NOC14H20 ABC14D20 -88.3 3.08 -9.52 -0.03 0
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174408 75761139 2 NOC15H23 ABC15D23 -102.38 3.02 -8.87 0.22 0
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174409 75761140 2 NOC13H19 ABC13D19 -85.47 3.54 -9.39 -0.18 0
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174410 75761141 2 NOC14H22 ABC14D22 -127.38 2.41 -9.22 -0.07 0
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174411 75761142 2 NOC15H23 ABC15D23 -125.72 2.25 -9.29 -0.08 0
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174412 75761143 2 NOC16H26 ABC16D26 -139.4 3.8 -9.35 -0.1 0
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174413 75761144 2 NOC14H22 ABC14D22 -113.16 2.26 -9.55 0.18 0
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174414 75761145 1 N2O3C30H40 A2B3C30D40 -106.98 3.22 -8.79 0.11 0
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174415 75761146 1 N2O3C30H40 A2B3C30D40 -102.79 4.84 -8.84 -0.25 0
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174416 75761147 1 ClN2O2C29H37 AB2C2D29E37 -81.36 2.11 -9.49 -0.46 0
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174417 75761148 1 ClN2O2C31H39 AB2C2D31E39 -65.53 5.56 -8.68 -0.23 0
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174418 75761149 1 ClN2O2C29H37 AB2C2D29E37 -76.25 3.38 -9.42 -0.26 0
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174419 75761150 1 O2N3C31H43 A2B3C31D43 -66.12 2.64 -8.11 0.19 0
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174420 75761151 1 O2N3C31H43 A2B3C31D43 -65.77 2.2 -8.12 0.05 0
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174421 75761152 2 NOC15H20 ABC15D20 -79.1 3.37 -9.19 0.02 0
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174422 75761153 2 NOC16H21 ABC16D21 -73.46 3.3 -9.19 0.12 0
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174423 75761154 2 NOC15H20 ABC15D20 -69.47 2.05 -8.95 0.12 0
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174424 75761155 2 NO2C15H19 AB2C15D19 -135.41 3.9 -8.96 -0.36 0
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174425 75761156 2 NO2C15H19 AB2C15D19 -122.76 6.48 -9.01 -0.42 0
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174426 75761157 2 NO2C15H20 AB2C15D20 -152.93 0.91 -8.67 -0.11 0
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174427 75761162 1 N2O2C31H50 A2B2C31D50 -148.98 6.77 -9.01 0.46 0
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174428 75761572 2 NOC16H20 ABC16D20 -53.0 2.78 -9.03 0.06 0
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174429 75761573 2 NOC14H16 ABC14D16 -38.9 3.57 -9.35 -0.21 0
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174430 75761574 1 ClN3O4C28H30 AB3C4D28E30 -53.47 6.6 -9.33 -1.49 0
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174431 75761575 1 ClN3O4C28H30 AB3C4D28E30 -50.24 7.62 -9.63 -1.56 0
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174432 75761576 1 N2O2C27H38 A2B2C27D38 -92.94 5.79 -9.3 -0.25 0
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174433 75761577 1 SN2O4C31H38 AB2C4D31E38 -127.09 3.67 -9.2 -0.56 1
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174434 75763437 1 BrO3N4C17H24 AB3C4D17E24 -76.78 9.03 0.0 0.0 -1
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174435 75763520 1 N2F3O5C16H16 A2B3C5D16E16 -290.4 0.95 0.0 0.0 1
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174436 75763937 1 SN3O3C23H32 AB3C3D23E32 -79.88 4.32 0.0 0.0 1
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174437 75763993 1 BrClOSN3C16H16 ABCDE3F16G16 82.98 6.74 0.0 0.0 -2