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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94269 49999330 1 O5N6C39H56 A5B6C39D56 -246.23 11.05 -8.79 -0.73 0
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94270 49999331 1 O5N6C40H58 A5B6C40D58 -253.39 7.22 -8.84 -0.69 0
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94271 49999332 1 O5N6C40H56 A5B6C40D56 -225.95 12.46 -8.93 -0.52 0
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94272 49999333 1 O5N6C41H58 A5B6C41D58 -240.99 5.02 -8.81 -0.24 0
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94273 49999334 1 O5N6C42H60 A5B6C42D60 -247.98 6.88 -9.0 -0.35 0
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94274 49999338 1 O5N6C43H62 A5B6C43D62 -254.45 9.77 -8.76 -0.62 0
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94275 49999339 1 O5N6C40H58 A5B6C40D58 -245.23 8.1 -8.94 -0.64 0
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94276 49999340 1 O5N6C37H52 A5B6C37D52 -234.35 7.26 -8.64 -0.73 0
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94277 49999345 1 O5N6C43H62 A5B6C43D62 -261.05 3.09 -8.17 -0.2 0
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94278 49999355 1 O4N5C37H51 A4B5C37D51 -179.87 5.37 -8.97 -0.22 0
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94280 49999360 1 FO4N5C36H48 AB4C5D36E48 -232.68 8.78 -8.28 -0.36 0
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94281 49999365 1 ClO5N6C42H57 AB5C6D42E57 -247.76 8.67 -8.74 -0.58 0
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94282 49999378 1 F2O5N6C42H52 A2B5C6D42E52 -288.94 8.39 -8.54 -0.8 0
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94283 49999382 1 O5N6C42H54 A5B6C42D54 -200.84 10.49 -8.68 -0.68 0
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94285 49999387 1 FO5N6C42H53 AB5C6D42E53 -252.0 5.62 -8.74 -0.68 0
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94286 49999390 1 N6O6C43H56 A6B6C43D56 -241.45 5.7 -8.49 -0.57 0
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94288 49999407 1 O5N6C39H54 A5B6C39D54 -229.18 4.77 -8.81 -0.21 0
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94289 49999408 1 O5N6C40H56 A5B6C40D56 -239.77 8.37 -8.89 -0.26 0
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94290 49999410 1 ClO5N6C40H55 AB5C6D40E55 -239.77 4.17 -9.02 -0.56 0
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94291 49999411 1 ClO5N6C40H53 AB5C6D40E53 -228.09 5.12 -8.94 -0.79 0
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94292 49999413 1 ClO5N6C42H57 AB5C6D42E57 -240.48 5.82 -9.03 -0.45 0
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94293 49999418 1 ClO5N6C37H49 AB5C6D37E49 -221.09 3.59 -9.08 -0.78 0
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94294 49999420 1 FO5N6C42H53 AB5C6D42E53 -252.35 9.7 -8.85 -0.84 0
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94295 49999422 1 FO5N6C42H53 AB5C6D42E53 -247.77 8.37 -8.84 -0.66 0
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94296 49999428 1 ClO5N6C39H55 AB5C6D39E55 -254.33 6.12 -9.17 -0.6 0
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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
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94324 49999676 1 O5N6C41H60 A5B6C41D60 -263.25 7.73 -8.64 -0.81 0
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94325 49999712 1 F2O5N6C43H52 A2B5C6D43E52 -278.52 7.34 -8.88 -0.54 0
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94326 49999734 1 ClO5N6C40H55 AB5C6D40E55 -242.26 11.2 -8.76 -0.59 0
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94327 49999735 1 ClO5N6C41H57 AB5C6D41E57 -249.1 3.33 -8.74 -0.75 0
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94328 49999736 1 ClO5N6C42H59 AB5C6D42E59 -251.55 7.94 -8.93 -0.36 0
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94329 49999755 1 FO5N6C43H53 AB5C6D43E53 -242.59 8.74 -8.83 -0.62 0
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94330 49999756 1 FO5N6C44H55 AB5C6D44E55 -257.89 7.87 -8.6 -0.4 0
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94331 49999758 1 O5N6C39H54 A5B6C39D54 -223.1 6.2 -8.69 -0.64 0
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94332 49999759 1 O5N6C40H56 A5B6C40D56 -233.01 10.3 -8.94 -0.29 0
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94333 49999761 1 O5N6C40H58 A5B6C40D58 -255.87 11.68 -8.52 -0.38 0
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94334 49999764 1 O5N6C41H60 A5B6C41D60 -257.37 8.43 -8.76 -0.35 0
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94335 49999767 1 O5N6C43H62 A5B6C43D62 -250.63 4.93 -8.98 -0.28 0
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94336 49999770 1 O5N6C43H62 A5B6C43D62 -254.73 10.64 -8.89 -0.17 0
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94337 49999772 1 ClO5N6C42H59 AB5C6D42E59 -263.61 7.79 -8.65 -0.91 0
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94338 49999786 1 ClO5N6C38H53 AB5C6D38E53 -248.83 6.28 -8.51 -0.16 0
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94339 49999787 1 ClO5N6C37H51 AB5C6D37E51 -248.6 4.23 -8.86 -0.59 0
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94340 49999788 1 ClO5N6C40H57 AB5C6D40E57 -258.27 6.66 -8.71 -0.33 0
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94341 49999789 1 ClO5N6C42H59 AB5C6D42E59 -265.19 7.08 -8.63 -0.23 0
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94342 49999794 1 O5N6C40H56 A5B6C40D56 -237.77 12.16 -8.8 -0.32 0
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94343 49999798 1 O5N6C43H60 A5B6C43D60 -243.16 3.96 -8.79 -0.23 0
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94344 49999799 1 N6O6C41H56 A6B6C41D56 -264.92 8.08 -8.89 -0.34 0
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94345 49999800 1 O5N6C42H58 A5B6C42D58 -232.52 8.94 -8.92 -0.27 0
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94346 49999807 1 O5N6C41H60 A5B6C41D60 -246.61 9.49 -8.91 -0.46 0
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94347 49999809 1 F2O5N6C43H54 A2B5C6D43E54 -305.49 6.38 -9.0 -0.52 0
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94348 49999810 1 F2O5N6C43H54 A2B5C6D43E54 -297.66 5.02 -8.8 -0.69 0