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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94298 49999451 1 O5N6C40H56 A5B6C40D56 -221.89 11.58 -8.7 -0.72 0
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94299 49999453 1 ClO5N6C42H51 AB5C6D42E51 -185.5 10.64 -8.87 -0.98 0
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94300 49999515 1 N6O6C43H62 A6B6C43D62 -278.55 1.56 -9.08 -0.48 0
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94301 49999516 1 N6O7C41H58 A6B7C41D58 -309.57 1.0 -8.84 -0.35 0
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94302 49999520 2 N3O3C19H27 A3B3C19D27 -280.95 6.36 -8.36 -0.13 0
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94303 49999535 1 O5N6C42H58 A5B6C42D58 -235.39 8.7 -8.56 -0.24 0
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94304 49999536 1 O5N6C39H54 A5B6C39D54 -231.64 8.58 -8.66 -0.57 0
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94305 49999541 1 O5N6C42H60 A5B6C42D60 -244.79 2.7 -8.78 -0.16 0
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94306 49999542 1 O5N6C43H62 A5B6C43D62 -250.9 4.89 -8.87 -0.24 0
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94307 49999545 1 O5N6C43H62 A5B6C43D62 -261.79 6.49 -8.9 -0.23 0
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94308 49999546 1 O5N6C44H64 A5B6C44D64 -265.0 10.04 -8.79 -0.19 0
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94309 49999547 1 O5N6C41H60 A5B6C41D60 -258.78 2.01 -9.04 -0.3 0
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94310 49999548 1 O5N6C38H54 A5B6C38D54 -233.43 6.4 -8.83 -0.3 0
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94311 49999549 1 O5N6C41H60 A5B6C41D60 -239.93 7.9 -8.8 -0.47 0
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94313 49999587 1 FO5N6C44H57 AB5C6D44E57 -263.26 11.7 -8.95 -0.43 0
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94314 49999588 1 F2O5N6C43H54 A2B5C6D43E54 -302.47 8.09 -8.98 -0.5 0
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94315 49999589 1 O5N6C43H56 A5B6C43D56 -205.67 8.26 -8.65 -0.32 0
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94316 49999590 1 FO5N6C43H55 AB5C6D43E55 -256.65 10.82 -8.72 -0.44 0
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94317 49999638 1 O5N6C43H62 A5B6C43D62 -255.16 7.66 -9.0 -0.33 0
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94318 49999652 1 FO5N6C38H53 AB5C6D38E53 -283.6 6.17 -8.75 -0.21 0
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94319 49999655 1 F2O5N6C43H54 A2B5C6D43E54 -300.8 8.94 -8.7 -0.61 0
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94320 49999656 1 FO5N6C42H59 AB5C6D42E59 -296.96 9.34 -8.77 -0.23 0
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94321 49999657 1 FN6O6C43H55 AB6C6D43E55 -288.17 2.08 -8.7 -0.33 0
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94322 49999659 1 FO5N6C43H55 AB5C6D43E55 -251.33 8.51 -8.77 -0.43 0
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94323 49999671 1 O5N6C42H58 A5B6C42D58 -238.67 9.88 -8.86 -0.38 0