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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406637 135078238 1 LiMnO4C13H23 ABC4D13E23 -139.36 5.65 0.0 0.0 0
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406638 135078239 1 BrN3O3C16H20 AB3C3D16E20 -89.64 4.66 -9.0 -0.44 0
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406639 135078240 1 IO2N3C14H16 AB2C3D14E16 -29.13 4.08 -9.17 -0.77 0
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406640 135078241 1 IO2N3C15H18 AB2C3D15E18 -34.47 3.68 -8.97 -0.94 0
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406641 135078242 1 IO2N3C15H18 AB2C3D15E18 -37.41 3.95 -9.04 -0.94 0
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406642 135078243 1 IO2N3C16H20 AB2C3D16E20 -43.29 4.25 -8.98 -0.95 0
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406643 135078244 1 IO2N3C15H18 AB2C3D15E18 -37.59 3.92 -8.97 -0.88 0
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406644 135078245 2 NPO6C11H20 ABC6D11E20 -680.58 3.93 -8.03 -0.02 0
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406645 135078246 1 N3C14H21 A3B14C21 52.5 2.7 -8.82 -0.29 0
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406646 135078247 1 NSO2C12H17 ABC2D12E17 -42.72 4.01 -8.43 -0.43 0
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406647 135078248 1 NSiO2C34H51 ABC2D34E51 -127.64 3.08 -8.92 0.1 0
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406648 135078249 1 O3N6C11H12 A3B6C11D12 -1.7 0.33 -9.68 -1.74 0
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406649 135078250 1 SN2O4C10H14 AB2C4D10E14 -87.61 6.55 -9.89 -1.4 0
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406650 135078251 1 NO2H15C16 AB2C15D16 26.23 2.75 -8.84 -0.34 0
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406651 135078252 1 BrO2C10H17 AB2C10D17 -104.17 3.07 -9.41 -0.23 0
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406652 135078253 1 ClNOSiF2C7H16 ABCDE2F7G16 -214.27 3.19 -9.35 -0.13 0
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406653 135078254 1 NSO2C20H27 ABC2D20E27 -13.39 6.94 -9.19 -0.34 0
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406654 135078255 1 NSO2C16H19 ABC2D16E19 18.28 6.15 -9.71 -0.45 0
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406655 135078256 1 NSO2C20H21 ABC2D20E21 14.15 6.08 -9.45 -0.31 0
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406656 135078257 1 SiO4C23H34 AB4C23D34 -204.23 0.76 -9.07 -0.48 0
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406657 135078258 2 OH10C12 AB10C12 3.4 4.53 -9.62 -0.14 0
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406658 135078267 1 O2C15H18 A2B15C18 -27.45 3.73 -8.31 0.08 0
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406659 135078283 2 OC9H11 AB9C11 -52.94 3.85 -9.1 -0.3 0
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406660 135078303 1 NOH13C16 ABC13D16 63.1 4.71 -9.6 -0.8 0
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406661 135078304 1 O7C39H50 A7B39C50 -248.22 3.14 -9.27 0.03 0
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406662 135078305 1 NO7C30H51 AB7C30D51 -355.4 3.97 -8.19 0.27 0
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406663 135078306 1 NSO5C15H21 ABC5D15E21 -187.85 8.01 -9.96 -0.51 0
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406664 135078307 1 NSO5C14H19 ABC5D14E19 -170.87 6.86 -10.03 -0.48 0
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406665 135078308 1 N3O4C9H9 A3B4C9D9 -59.0 3.7 -10.03 -1.75 0
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406666 135078309 1 N2O4C27H28 A2B4C27D28 -33.02 5.1 -9.54 -0.12 0
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406667 135078310 1 NO2C16H23 AB2C16D23 -98.8 6.58 -9.14 -0.39 0
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406668 135078311 1 SiN3O3C21H29 AB3C3D21E29 -96.99 2.76 -9.05 -0.54 0
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406669 135078313 1 NOSH13C14 ABCD13E14 50.03 1.68 -8.23 -0.42 0
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406670 135078314 1 BrO6C20H27 AB6C20D27 -245.42 2.62 -8.67 -0.51 0
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406671 135078315 1 O2F3H13C15 A2B3C13D15 -189.36 2.73 -8.42 -0.49 0
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406672 135078316 1 NSO2C16H23 ABC2D16E23 -60.24 4.5 -9.52 -0.18 0
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406673 135078317 1 NSiCl3O9C41H50 ABC3D9E41F50 -394.26 5.85 -8.99 -0.76 -1
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406674 135078319 1 N4O19C26H43 A4B19C26D43 -776.63 4.0 0.0 0.0 0
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406675 135078320 1 N4O19C26H44 A4B19C26D44 -784.74 3.48 -10.24 -0.35 0
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406676 135078321 1 N3O38C56H93 A3B38C56D93 -1731.85 12.56 -10.0 -0.04 0
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406677 135078324 1 IO2C3H7 AB2C3D7 -13.87 0.65 -9.05 -1.6 0
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406678 135078325 1 NSO3C11H21 ABC3D11E21 -126.15 3.0 -9.66 0.4 0
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406679 135078329 1 O6C13H16 A6B13C16 -204.02 2.85 -10.55 -1.27 0
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406680 135078335 2 OSeH6C9 ABC6D9 29.88 1.63 -8.15 -2.08 0
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406681 135078339 1 PWO5H7C11 ABC5D7E11 -21.52 2.38 -6.74 -0.06 0
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406682 135078347 1 NSO3C22H25 ABC3D22E25 -27.75 5.49 -8.69 -0.26 0
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406683 135078350 1 FNO4C14H16 ABC4D14E16 -181.6 1.78 -9.77 -0.51 0
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406684 135078355 1 NCl4O4H9C10 AB4C4D9E10 -157.64 8.25 -9.44 -2.22 1
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406685 135078356 1 NCl3O4H9C10 AB3C4D9E10 -159.8 4.05 0.0 0.0 0
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406686 135078357 1 O2H14C15 A2B14C15 -6.81 3.26 -9.11 -0.68 0
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406687 135078358 1 NSF3O3C12H14 ABC3D3E12F14 -216.99 12.26 -10.37 -1.68 0
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406688 135078373 1 ClFN2O2H10C17 ABC2D2E10F17 -33.82 3.74 -9.97 -1.57 0
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406689 135078374 1 SiSnN4O4S4C66H70 ABC4D4E4F66G70 24.4 1.83 -8.31 -1.26 0
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406690 135078375 1 NOSiC14H31 ABCD14E31 -123.71 1.6 -8.35 1.2 0
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406691 135078376 1 ClFN2O2H10C17 ABC2D2E10F17 -33.66 5.22 -10.01 -1.42 0
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406692 135078377 1 NSiO3C17H29 ABC3D17E29 -144.5 1.88 -7.97 0.34 0
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406693 135078378 1 Cl3O3C11H13 A3B3C11D13 -128.04 6.05 -9.39 -0.25 0
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406694 135078379 1 SnS4C44H68 AB4C44D68 -35.04 2.1 -8.54 -0.55 0
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406695 135078380 1 O3C11H14 A3B11C14 -112.51 1.47 -9.39 0.39 0
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406696 135078381 1 NOSSiC11H25 ABCDE11F25 -97.37 2.88 -7.67 0.84 0
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406697 135078382 1 BKO4C12H16 ABC4D12E16 -267.05 8.8 -7.95 0.16 -1
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406698 135078383 1 BO4C12H16 AB4C12D16 -168.88 7.49 0.0 0.0 0
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406699 135078384 1 BKO3C13H16 ABC3D13E16 -202.82 9.58 -8.27 0.23 -1
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406700 135078385 1 BO3C13H16 AB3C13D16 -114.46 5.53 0.0 0.0 0
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406701 135078386 1 ON2H12C13 AB2C12D13 16.03 2.95 -8.51 -0.57 0
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406702 135078387 1 IO2C11H19 AB2C11D19 -111.8 4.05 -10.13 -1.24 0
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406703 135078388 1 SO2H20C22 AB2C20D22 33.22 5.74 -8.34 -0.12 0
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406704 135078389 1 ClSO2C19H21 ABC2D19E21 -19.36 3.84 -8.5 -0.22 0
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406705 135078390 1 SiO3C35H50 AB3C35D50 -143.78 0.28 -8.99 0.09 0
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406706 135078391 1 SiO5C31H42 AB5C31D42 -230.1 3.18 -8.98 0.07 0
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406707 135078392 1 O5C14H18 A5B14C18 -201.04 1.88 -8.82 0.24 0
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406708 135078434 1 NSO2Si2C31H45 ABC2D2E31F45 -38.28 5.77 -8.29 0.13 0
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406709 135078435 1 NO3H6F9C11 AB3C6D9E11 -479.87 5.37 -10.65 -1.84 0
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406710 135078436 1 S2O4H12C13 A2B4C12D13 -104.77 7.36 -9.29 -1.08 0
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406711 135078437 1 NCl4O4C16H19 AB4C4D16E19 -215.68 2.88 -9.57 -0.59 0
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406712 135078438 1 SO4C16H18 AB4C16D18 -115.93 2.04 -8.92 -0.6 0
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406713 135078439 1 OSC15H16 ABC15D16 11.78 5.06 -8.76 -0.28 0
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406714 135078440 1 NSF3O3C13H16 ABC3D3E13F16 -226.59 15.18 -10.25 -1.9 1
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406715 135078441 1 NC12H16 AB12C16 47.89 1.34 0.0 0.0 0
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406716 135078442 1 O5C11H18 A5B11C18 -228.85 2.58 -10.19 0.3 0
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406717 135078444 1 SeSiO10C51H64 ABC10D51E64 -378.52 4.08 -8.73 -0.57 0
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406718 135078445 1 NO2C12H19 AB2C12D19 -41.04 2.42 -9.11 0.72 0
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406719 135078446 1 SN2O4H20C22 AB2C4D20E22 -32.22 7.86 -9.47 -1.47 0
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406720 135078447 1 N3C16H23 A3B16C23 30.53 4.7 -8.78 -0.1 0
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406721 135078448 3 OC4H6 AB4C6 -125.95 1.95 -9.19 0.23 0
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406722 135078449 1 BKO3C11H14 ABC3D11E14 -224.03 9.39 -8.33 0.25 0
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406726 135078453 1 ClS2F3O5H12C21 AB2C3D5E12F21 -252.84 6.79 -9.35 -1.78 0
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406727 135078455 2 O2S2C31H49 A2B2C31D49 -266.68 0.58 -8.69 -0.69 0
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406728 135078459 1 NOC15H17 ABC15D17 21.6 4.06 -9.7 -0.37 0
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406729 135078460 1 BrPO4C10H14 ABC4D10E14 -206.36 2.66 -9.49 -0.15 0
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406730 135078462 1 O2N3H11C12 A2B3C11D12 -26.13 6.0 -8.86 -0.96 0
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406731 135078463 1 N2F3O13C28H33 A2B3C13D28E33 -704.12 4.53 -9.04 -0.37 0
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406732 135078465 1 NO6C14H23 AB6C14D23 -226.63 4.96 -8.75 0.48 0
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406733 135078473 1 AuPH26C28 ABC26D28 220.9 7.82 -6.85 -1.07 0
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406734 135078479 1 O3C17H24 A3B17C24 -104.97 1.57 -9.31 0.38 0
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406735 135078484 1 NPO3C10H20 ABC3D10E20 -176.89 1.59 -9.96 0.9 0
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406736 135078489 1 SiS2C16H24 AB2C16D24 -6.73 2.14 -8.09 0.41 0
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406737 135078494 1 N5O5C18H19 A5B5C18D19 -138.44 6.35 -9.35 -1.08 0
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406738 135078497 1 SSeN3O5C18H21 ABC3D5E18F21 -66.35 4.34 -8.55 -1.5 -1
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406739 135078505 1 N5O10H14C20 A5B10C14D20 -85.2 2.32 0.0 0.0 0