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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53329 14710429 1 NOH23C26 ABC23D26 47.58 7.01 -8.62 -0.35 0
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53330 14710431 1 OC16H18 AB16C18 -15.23 3.35 -9.14 -1.03 0
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53331 14710438 2 OC6H8 AB6C8 -64.7 3.56 -9.56 0.16 0
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53332 14710471 2 OSC5H10 ABC5D10 -103.71 4.47 -8.51 0.16 0
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53333 14710478 2 NSC6H12 ABC6D12 -34.54 2.91 -8.17 -0.35 0
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53334 14710479 2 NSC6H10 ABC6D10 72.52 0.89 -8.37 -0.67 0
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53335 14710480 1 N2S3C16H36 A2B3C16D36 -60.82 4.85 -8.17 -0.82 0
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53336 14710483 1 N2S3C12H24 A2B3C12D24 -27.84 2.74 -8.16 -0.91 0
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53337 14710486 1 O2C11H12 A2B11C12 -33.24 1.06 -9.59 0.16 0
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53338 14710489 1 NC11H13 AB11C13 28.56 2.73 -8.21 0.53 0
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53339 14710506 1 NSO3C15H17 ABC3D15E17 -43.87 4.59 -9.07 -0.46 0
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53340 14710508 1 NSO2C15H16 ABC2D15E16 39.19 1.46 0.0 0.0 0
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53341 14710510 1 N2S2O7C25H36 A2B2C7D25E36 -287.6 8.22 -9.77 -0.78 0
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53342 14710513 1 N2O6C27H34 A2B6C27D34 -245.71 1.31 -9.62 -0.05 0
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53343 14710519 1 N2S2O8C23H30 A2B2C8D23E30 -279.58 8.61 -9.64 -0.56 0
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53344 14710522 2 NC6H10 AB6C10 0.71 4.91 -8.73 1.63 0
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53345 14710524 1 NSO3C20H31 ABC3D20E31 -130.35 7.97 -8.15 -0.54 0
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53346 14710531 1 NSO2C21H25 ABC2D21E25 -47.4 5.52 -8.62 -0.45 0
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53347 14710536 1 NSO3C23H29 ABC3D23E29 -86.63 4.57 -8.44 -0.45 0
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53348 14710549 1 INC11H16 ABC11D16 51.28 13.26 -7.14 -0.91 0
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53349 14710562 1 NPSC30H34 ABCD30E34 79.71 1.26 -8.44 0.05 0
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53350 14710576 1 BrNOC18H20 ABCD18E20 15.68 2.41 -9.39 -0.25 0
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53351 14710585 1 NC14H15 AB14C15 49.95 1.81 -8.91 -0.56 0
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53352 14710588 1 NC11H15 AB11C15 23.21 1.85 -9.07 0.38 0
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53353 14710598 2 O2C5H7 A2B5C7 -152.74 2.9 -10.18 -0.81 0
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53354 14710607 1 FeO7C15H18 AB7C15D18 -88.07 1.46 -6.71 -0.57 0
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53355 14710608 1 FeO7C15H18 AB7C15D18 -31.26 1.99 -7.13 -0.9 0
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53356 14710611 1 FeO5C11H12 AB5C11D12 -57.97 4.98 -8.05 0.32 0
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53357 14710692 1 HOSC2F7 ABCD2E7 -370.57 2.16 -12.33 -2.04 0
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53358 14710693 1 OSC3H3F7 ABC3D3E7 -378.26 3.35 -12.07 -1.96 0
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53359 14710694 1 ClOSC2F7 ABCD2E7 -370.53 1.01 -11.8 -2.23 0
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53360 14710695 1 SC2H2O2F6 AB2C2D2E6 -367.55 4.36 -11.96 -1.7 0
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53361 14710701 1 ClO2N4H11C15 AB2C4D11E15 5.01 2.48 -9.33 -1.24 0
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53362 14710712 1 OSC2N5H7 ABC2D5E7 29.7 4.11 -8.87 -0.59 0
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53363 14710713 1 ClN2O2H13C16 AB2C2D13E16 -29.09 4.98 -9.07 -0.89 0
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53364 14710714 1 OCl2N2H10C15 AB2C2D10E15 2.26 3.57 -9.26 -1.07 1
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53365 14710715 1 ClSO2N4H12C15 ABC2D4E12F15 48.67 9.45 0.0 0.0 0
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53366 14710719 1 ClOSN2H7C9 ABCD2E7F9 -15.12 2.99 -9.14 -1.4 0
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53367 14710747 1 O2P2S2N8C29H62 A2B2C2D8E29F62 -253.27 11.49 -8.15 -0.42 0
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53368 14710752 1 CrSiO6C14H14 ABC6D14E14 -27.99 2.92 -7.04 0.01 0
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53369 14710758 1 Si2O3C20H38 A2B3C20D38 -235.63 3.01 -8.79 0.31 0
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53371 14710796 1 SiWO2C14H24 ABC2D14E24 25.07 1.82 -5.66 0.79 0
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53373 14710808 1 SiWO2C12H22 ABC2D12E22 98.73 5.32 -5.91 0.88 0
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53374 14710813 1 WO7C15H16 AB7C15D16 58.93 2.22 -6.51 -0.04 0
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53375 14710821 1 WO7C15H16 AB7C15D16 -182.03 2.89 -5.92 0.46 0
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53376 14710840 1 OC13H18 AB13C18 -16.58 1.16 -8.91 0.49 0
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53377 14710842 1 OC13H18 AB13C18 -13.19 1.15 -8.81 0.32 0
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53378 14710847 1 O2C15H20 A2B15C20 -51.38 1.2 -9.05 0.35 0
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53379 14710848 1 O2C15H20 A2B15C20 -50.68 1.65 -9.63 0.7 0
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53380 14710850 1 OSiC14H22 ABC14D22 -61.5 0.37 -8.98 0.41 0
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53381 14710853 2 OC7H10 AB7C10 -55.96 0.4 -8.86 0.56 0
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53382 14710861 6 C2H3 A2B3 12.54 1.24 -9.05 0.84 0
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53383 14711173 2 ClNOSe2H4C13 ABCD2E4F13 392.25 3.14 -8.16 -2.56 0
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53384 14714058 1 NSeO2C21H33 ABC2D21E33 -112.96 3.96 -8.53 -0.25 0
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53385 14714065 1 SeN2C34H52 AB2C34D52 11.26 0.86 -7.95 -0.1 0
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53386 14714358 1 OBr2N3C19H27 AB2C3D19E27 -49.39 6.23 -8.41 -0.23 0
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53387 14714468 1 SiO2C12H22 AB2C12D22 -112.64 2.44 -9.76 -0.07 0
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53388 14714472 1 OSiC10H22 ABC10D22 -95.73 2.57 -9.26 0.81 0
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53389 14714881 1 CrNO5C13H15 ABC5D13E15 25.79 3.26 -7.11 0.53 0
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53390 14714884 1 CrNC9H17 ABC9D17 -4.94 2.94 -7.13 1.04 0
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53391 14714885 1 CrNO4H19C23 ABC4D19E23 -21.86 4.53 -7.73 -1.09 0
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53392 14714889 1 CrNO4H25C26 ABC4D25E26 19.63 5.65 -7.84 0.03 0
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53393 14714891 1 CrNO4C27H27 ABC4D27E27 102.43 5.2 -6.15 -0.43 0
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53394 14714892 1 NOC24H27 ABC24D27 5.34 4.71 -8.87 -0.74 0
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53395 14714893 1 CrNO4H19C23 ABC4D19E23 -32.31 5.06 -8.92 -0.57 0
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53396 14714894 1 NOH19C20 ABC19D20 125.38 3.87 -8.87 -0.44 0
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53397 14714897 1 CrNO4H25C26 ABC4D25E26 -119.92 4.68 -8.22 -0.47 0
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53398 14714898 1 NOC23H25 ABC23D25 5.69 2.72 -8.51 -0.18 0
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53399 14714899 1 CrNO4C27H27 ABC4D27E27 1.54 5.28 -7.88 -0.48 -1
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53400 14714911 1 MoO2C11H11 AB2C11D11 87.93 4.71 0.0 0.0 0
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53401 14714913 1 OC5H8 AB5C8 -27.51 3.33 -8.64 0.53 -2
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53402 14714917 1 MoO3C15H18 AB3C15D18 72.79 4.17 -6.9 0.38 0
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53403 14714919 1 O2C15H20 A2B15C20 -42.41 2.72 -9.5 0.18 0
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53404 14714920 1 O2C19H20 A2B19C20 -27.3 2.19 -9.44 0.22 0
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53405 14714921 2 OC6H8 AB6C8 -66.54 3.8 -9.69 0.05 0
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53406 14714923 2 OC6H7 AB6C7 -48.76 2.16 -9.22 -0.01 -2
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53407 14714926 1 MoO4C19H20 AB4C19D20 133.37 4.33 -6.84 0.08 0
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53408 14714927 2 OC6H8 AB6C8 -65.94 2.76 -9.76 -0.01 0
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53409 14714937 1 KLiOH6C7 ABCD6E7 -54.29 7.2 -5.51 0.39 0
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53410 14714941 1 O3C12H16 A3B12C16 -132.48 3.57 -9.42 0.01 0
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53411 14714942 1 NO5C11H11 AB5C11D11 -101.79 4.4 -10.63 -2.16 0
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53412 14714944 1 O3C13H18 A3B13C18 -135.54 2.82 -9.48 0.29 0
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53413 14714945 1 N3O3C19H19 A3B3C19D19 -52.87 3.38 -8.72 -0.25 0
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53414 14714947 1 N4O5H18C19 A4B5C18D19 -57.25 4.19 -8.93 -1.64 0
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53415 14714948 1 N4O5H18C19 A4B5C18D19 -56.33 6.7 -8.86 -1.55 0
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53416 14714949 1 N3O4C19H19 A3B4C19D19 -92.18 5.63 -8.79 -0.6 0
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53417 14714950 1 N3O4C19H19 A3B4C19D19 -98.51 2.44 -8.75 -0.36 0
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53418 14714951 1 N3O4C20H21 A3B4C20D21 -93.11 5.48 -8.74 -0.24 0
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53419 14714953 1 N3O5C20H21 A3B5C20D21 -136.12 3.27 -8.75 -0.32 0
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53420 14715875 2 Cl2H8C15 A2B8C15 192.88 0.11 -8.51 -1.96 0
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53421 14715876 2 H18C19 A18B19 156.8 1.04 -7.98 -0.89 0
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53422 14715877 2 H11C15 A11B15 175.98 0.05 -9.02 -0.26 0
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53423 14715878 2 H15C17 A15B17 135.82 0.85 -8.54 -0.17 0
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53424 14715880 38 CH AB 98.36 0.47 -8.71 0.34 0
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53425 14715881 2 H8C15 A8B15 247.58 0.0 -8.16 -1.92 0
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53426 14715907 1 FPN2O5H20C25 ABC2D5E20F25 -131.72 9.02 -9.31 -1.08 0
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53427 14715909 1 FO3H21C23 AB3C21D23 -94.31 4.96 -8.72 -0.68 0
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53428 14715910 1 O2H22C23 A2B22C23 -19.58 4.18 -8.82 -0.24 0
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53429 14715912 1 FO2H19C22 AB2C19D22 -56.36 2.28 -8.77 -0.48 0
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53430 14715913 1 O2H22C23 A2B22C23 -15.66 3.68 -8.6 -0.5 0