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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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