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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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91253 49974556 1 N5O5C35H41 A5B5C35D41 -171.54 10.78 -8.67 -0.44 0
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91254 49974571 1 FN5O5C33H36 AB5C5D33E36 -200.3 9.38 -8.99 -0.99 0
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91255 49974582 1 ClN5O5C33H42 AB5C5D33E42 -203.76 5.77 -9.09 -0.83 0
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91256 49974594 1 FN5O5C33H36 AB5C5D33E36 -192.99 10.38 -8.91 -1.03 0
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91257 49974613 1 N5O5C35H41 A5B5C35D41 -170.32 10.82 -8.47 -0.41 0
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91258 49974623 1 N5O6C35H41 A5B6C35D41 -198.47 9.79 -8.26 -0.59 0
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91259 49974659 1 ClN5O5C30H38 AB5C5D30E38 -199.09 6.35 -8.88 -0.8 0
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91260 49974667 1 ClN5O5C27H32 AB5C5D27E32 -189.2 5.48 -9.22 -1.04 0
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91261 49974675 1 N5O6C28H35 A5B6C28D35 -216.19 7.88 -9.05 -0.58 0
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91262 49974686 1 ClN5O5C32H40 AB5C5D32E40 -199.9 1.82 -9.07 -0.76 0
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91263 49974692 1 ClN5O5C33H36 AB5C5D33E36 -160.79 8.97 -8.98 -0.73 0
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91264 49974694 1 N5O5C33H43 A5B5C33D43 -198.21 11.11 -8.76 -0.19 0
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91265 49974697 1 N5O5C29H37 A5B5C29D37 -176.47 7.77 -9.12 -0.51 0
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91266 49974700 1 N5O6C35H47 A5B6C35D47 -245.93 10.85 -8.88 -0.39 0
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91267 49974709 1 ClN5O5C33H42 AB5C5D33E42 -203.58 7.68 -9.09 -0.79 0
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91268 49974717 1 FN5O5C34H38 AB5C5D34E38 -203.59 5.99 -8.77 -0.58 0
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91269 49974726 1 N5O5C34H45 A5B5C34D45 -207.03 10.75 -9.01 -0.33 0
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91270 49974728 1 N5O5C32H43 A5B5C32D43 -206.06 7.38 -9.06 -0.32 0
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91271 49974731 1 N5O5C28H35 A5B5C28D35 -185.11 11.17 -9.05 -0.54 0
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91273 49974746 1 N5O5C35H41 A5B5C35D41 -162.9 4.66 -8.8 -0.5 0
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91274 49974747 1 FN5O5C34H38 AB5C5D34E38 -202.45 8.68 -9.23 -0.65 0
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91275 49974772 1 N5O5C34H45 A5B5C34D45 -204.87 6.65 -8.99 -0.34 0
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91276 49974774 1 N5O5C32H43 A5B5C32D43 -209.05 3.13 -9.07 -0.42 0
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91277 49974791 1 N5O5C31H41 A5B5C31D41 -190.99 5.27 -9.18 -0.3 0
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91278 49974792 1 F2N5O5C33H35 A2B5C5D33E35 -237.62 9.18 -9.03 -0.67 0