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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15360 439414 1 NO7C8H15 AB7C8D15 -327.89 6.28 -10.36 0.03 0
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15361 439477 1 N4O4C7H17 A4B4C7D17 -171.84 2.87 0.0 0.0 1
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15362 439692 1 C5O5H8 A5B5C8 -211.42 3.79 -10.67 0.07 0
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15363 439747 1 NPC3O6H8 ABC3D6E8 -328.36 4.99 -10.21 -0.12 0
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15364 439748 1 O3C13H18 A3B13C18 -123.36 5.67 -10.13 -0.53 0
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15365 439749 1 O2C31H58 A2B31C58 -195.48 2.95 -9.03 0.98 0
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15366 439750 1 NSO3C6H11 ABC3D6E11 -134.35 4.26 -9.12 0.13 0
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15367 439752 2 NC5H6 AB5C6 32.48 2.21 -8.38 0.18 0
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15368 439762 1 PC12O14H23 AB12C14D23 -694.31 1.47 -10.66 0.2 0
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15369 439772 1 ClNO2C3H6 ABC2D3E6 -101.31 3.63 -10.72 0.03 0
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15370 439800 1 OC10H16 AB10C16 -23.74 2.84 -9.87 2.31 0
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15371 439840 1 PC5O8H13 AB5C8D13 -429.69 3.49 -10.35 0.16 0
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15373 439868 1 PO4C50H83 AB4C50D83 -288.88 5.84 -8.82 0.83 0
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15374 440022 1 PN12O18C31H51 AB12C18D31E51 -756.78 5.38 -9.07 -0.52 0
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15375 440023 1 SP3N7O17C26H42 AB3C7D17E26F42 -868.54 7.51 -8.88 -0.32 0
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15376 440041 1 NSO6C9H17 ABC6D9E17 -281.79 5.18 -9.19 -0.01 0
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15377 440105 3 OC7H10 AB7C10 -153.67 6.48 -9.65 0.19 0
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15378 440110 1 N7O11C21H39 A7B11C21D39 -462.78 6.01 -9.25 -0.73 0
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15379 440130 1 O5C6H10 A5B6C10 -216.94 5.45 -10.05 -0.66 0
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15380 440140 2 O8C9H16 A8B9C16 -719.3 4.25 -10.22 0.1 0
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15381 440164 1 NPO7C26H53 ABC7D26E53 -412.13 7.49 0.0 0.0 1
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15382 440181 1 O5C6H10 A5B6C10 -220.12 3.37 -10.59 -1.36 0
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15383 440182 1 PN2C6O6H15 AB2C6D6E15 -344.69 4.94 -9.92 0.52 0
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15384 440183 1 C4H4O5 A4B4C5 -190.75 5.98 -10.26 -1.19 0
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15385 440203 1 PC6O10H11 AB6C10D11 -504.81 5.65 -11.06 -0.41 0
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15386 440209 1 PN13O15C59H92 AB13C15D59E92 -715.55 6.59 -8.18 -0.23 0
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15387 440223 1 O4C5H8 A4B5C8 -170.41 3.68 -10.47 -0.06 0
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15388 440235 1 NSC8O9H15 ABC8D9E15 -395.71 3.28 -10.32 -1.01 0
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15389 440237 1 N4O4C9H18 A4B4C9D18 -172.91 2.68 -9.49 0.06 0
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15390 440240 1 O11C12H22 A11B12C22 -489.83 5.15 -10.02 0.67 0
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15391 440241 1 PO9C56H93 AB9C56D93 -524.24 2.88 -8.92 0.55 0
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15392 440245 2 OH5C6 AB5C6 -43.46 1.93 -9.08 -0.67 0
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15393 440248 1 O4C5H8 A4B5C8 -167.17 2.88 -10.42 -1.21 0
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15394 440255 1 NO7C16H19 AB7C16D19 -280.29 5.32 -8.84 -0.34 0
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15395 440295 1 SP3N7O18C29H48 AB3C7D18E29F48 -969.63 7.2 -9.17 -0.6 0
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15396 440332 2 O5C6H10 A5B6C10 -433.67 2.8 -10.5 0.06 0
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15397 440359 1 N8O12C25H36 A8B12C25D36 -476.83 4.27 -8.18 -0.64 0
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15398 440360 1 ClO15C27H33 AB15C27D33 -631.0 7.39 -9.3 -1.8 0
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15399 440389 1 P2N3C17O18H25 A2B3C17D18E25 -905.55 13.39 -10.08 -0.7 0
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15400 440411 1 NPSO7C11H22 ABCD7E11F22 -401.41 5.94 -9.03 -0.06 0
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15401 440473 2 NO2C4H5 AB2C4D5 -131.2 3.22 -8.91 -0.55 0
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15402 440517 1 O9C33H52 A9B33C52 -361.75 3.74 -8.85 0.53 0
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15403 440528 1 N2P2O17C71H118 A2B2C17D71E118 -918.78 8.89 -8.93 0.1 0
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15404 440532 1 O3N4H22C25 A3B4C22D25 10.64 3.65 -8.42 -0.49 0
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15406 440563 1 SP3N7O18C25H42 AB3C7D18E25F42 -963.95 12.69 -9.15 -0.83 0
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15407 440564 1 SP3N8O17C25H43 AB3C8D17E25F43 -847.16 13.48 -9.62 -1.26 0
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15408 440598 1 N5O5C9H9 A5B5C9D9 -94.37 7.39 -9.78 -1.98 0
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15409 440618 1 SP3N7O17C33H54 AB3C7D17E33F54 -909.13 8.79 -9.14 -0.98 0
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15410 440637 1 O3N5C9H19 A3B5C9D19 -129.13 4.99 -9.58 0.42 0
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15411 440666 2 C20H33 A20B33 64.95 1.89 -8.18 0.67 0
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15412 440685 1 SP3N7O19C45H74 AB3C7D19E45F74 -1052.95 7.12 -9.47 -0.94 0
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15413 440689 1 NSO6C26H45 ABC6D26E45 -335.25 6.24 -10.14 -0.04 0
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15414 440701 1 O5C21H34 A5B21C34 -275.06 5.88 -9.79 0.6 0
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15415 440726 1 NO4C5H7 AB4C5D7 -167.78 4.78 -10.83 -1.38 0
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15416 440738 1 NO2H7C9 AB2C7D9 -42.93 5.26 -8.62 -0.74 0
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15417 440788 2 N2O3C28H39 A2B3C28D39 -228.28 5.44 -8.06 -1.98 0
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15418 440911 4 C5H8 A5B8 -41.58 1.17 -9.54 1.57 0
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15419 440969 1 PC6O9H15 AB6C9D15 -476.27 1.43 -10.66 0.18 0
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15420 440986 1 NO2H9C10 AB2C9D10 -56.51 2.95 -9.0 -0.92 0
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15421 440988 1 NO3C16H17 AB3C16D17 -93.29 1.79 -8.65 -0.1 0
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15422 441007 1 P2N5O16C17H27 A2B5C16D17E27 -780.32 5.19 -9.46 -0.93 0
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15423 441206 1 NO2C22H29 AB2C22D29 2.61 6.42 -9.42 0.71 0
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15424 441224 1 SN3O3C8H11 AB3C3D8E11 -101.85 6.48 -9.53 -0.56 0
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15425 441228 2 ClOC3H3 ABC3D3 -84.26 3.08 -9.7 -1.12 0
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15426 441248 1 NO11C14H25 AB11C14D25 -510.3 3.58 -10.33 0.42 0
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15427 441298 1 O4C35H52 A4B35C52 -191.05 6.7 -8.69 -0.28 0
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15428 441438 1 O5C6H12 A5B6C12 -242.32 3.87 -10.31 1.29 0
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15429 441440 1 NO2C6H13 AB2C6D13 -73.25 14.39 -8.65 -0.49 0
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15430 441483 7 COH2 ABC2 -320.58 2.21 -10.27 0.67 0
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15431 441492 1 NOC18H25 ABC18D25 41.17 3.08 -9.36 -0.33 0
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15432 441517 1 NS2O10C15H21 AB2C10D15E21 -369.84 2.98 -8.95 -1.23 0
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15433 441519 1 NS2O9C11H19 AB2C9D11E19 -340.44 5.66 -9.65 -0.95 0
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15434 441548 2 OC6H7 AB6C7 9.87 3.5 -9.3 -0.24 0
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15435 441562 1 NO6H11C14 AB6C11D14 -219.35 7.11 -9.41 -1.17 0
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15436 441682 1 O21C33H40 A21B33C40 -833.09 2.54 -9.02 -1.73 0