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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397054 135029655 1 O3C17H22 A3B17C22 -131.0 1.67 -9.3 -0.64 0
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397055 135029656 1 O3H20C25 A3B20C25 -6.41 1.61 -8.79 -0.87 0
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397056 135029657 2 OC4H7 AB4C7 -100.16 1.83 -10.15 0.96 0
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397057 135029658 1 NSiO3C23H33 ABC3D23E33 -126.48 1.79 -8.94 0.01 0
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397058 135029659 1 NSSiO3C18H25 ABCD3E18F25 -93.0 2.18 -8.84 -0.39 0
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397059 135029660 1 NSiO5C24H37 ABC5D24E37 -280.64 4.14 -9.61 -0.52 0
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397060 135029662 1 SSiO4C24H42 ABC4D24E42 -240.15 5.27 -8.67 -0.63 0
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397061 135029663 1 NSSiO3C21H37 ABCD3E21F37 -183.02 6.44 -8.72 -0.42 0
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397062 135029664 1 SiO5C16H28 AB5C16D28 -264.48 1.1 -8.86 -0.29 0
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397063 135029665 1 SiN2O5C16H28 AB2C5D16E28 -204.01 2.62 -8.97 -1.16 1
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397064 135029666 1 SiN2O5C16H29 AB2C5D16E29 -207.04 8.17 0.0 0.0 0
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397065 135029668 1 BrOSiH13C14 ABCD13E14 58.44 6.24 -9.7 -0.75 -1
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397066 135029672 1 AuClSiN2O3C19H31 ABCD2E3F19G31 -120.42 7.99 0.0 0.0 0
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397067 135029674 1 ON5C18H19 AB5C18D19 62.48 1.01 -8.3 -0.58 0
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397068 135029675 1 ON2H30C32 AB2C30D32 57.96 3.3 -9.09 -0.51 0
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397069 135029676 1 BrOSiC20H23 ABCD20E23 0.55 3.13 -8.9 -0.75 0
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397070 135029677 1 N3O3C5H7 A3B3C5D7 -40.19 4.14 -10.36 -1.06 0
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397071 135029681 1 O5C35H38 A5B35C38 -116.68 2.42 -9.27 0.12 0
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397072 135029687 1 NSO3C20H21 ABC3D20E21 -37.73 3.83 -9.13 -0.69 0
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397073 135029688 1 NO3C23H25 AB3C23D25 -58.43 1.07 -9.01 -0.73 0
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397074 135029690 1 NO3C21H29 AB3C21D29 -105.62 4.22 -8.97 -0.48 0
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397075 135029691 1 NO3C22H23 AB3C22D23 -41.02 3.35 -8.98 -0.54 0
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397076 135029692 1 NO3C24H27 AB3C24D27 -51.71 3.64 -9.04 -0.48 0
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397078 135029696 1 N2O4C15H16 A2B4C15D16 -123.0 5.75 -9.8 -1.3 0
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397079 135029698 1 SO2N3H17C18 AB2C3D17E18 -6.87 1.85 -8.57 -0.5 0
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397080 135029699 1 N2H16C17 A2B16C17 88.5 0.88 -8.81 0.05 0
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397081 135029701 1 NSO3C12H19 ABC3D12E19 -124.71 6.97 -9.74 -0.18 0
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397082 135029702 1 OC22H24 AB22C24 8.83 1.79 -8.54 -0.16 0
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397083 135029703 1 PO4C19H23 AB4C19D23 -214.88 6.47 -8.91 -0.28 0
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397084 135029704 1 ClOC13H15 ABC13D15 -42.09 2.43 -9.99 -0.51 0
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397086 135029707 1 O3H18C19 A3B18C19 -69.93 1.77 -9.4 -0.68 0
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397087 135029708 1 NOH11C15 ABC11D15 34.82 4.96 -9.08 -0.91 0
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397088 135029709 1 BrNSH8C10 ABCD8E10 44.64 1.38 -8.84 -1.07 1
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397089 135029710 1 NO2C14H16 AB2C14D16 -64.51 5.34 0.0 0.0 0
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397090 135029713 1 N2O2H14C17 A2B2C14D17 -21.45 7.07 -8.41 -0.91 0
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397091 135029714 1 N3O4H15C20 A3B4C15D20 -85.57 11.4 -8.56 -1.03 0
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397092 135029715 1 O2N5C26H35 A2B5C26D35 -23.78 10.9 -8.7 -0.33 0
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397093 135029716 1 O3N5C26H37 A3B5C26D37 -48.95 8.35 -9.55 -0.9 0
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397094 135029718 1 NO2F6H15C22 AB2C6D15E22 -319.33 4.24 -10.02 -1.8 0
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397095 135029723 1 NO2F6H19C24 AB2C6D19E24 -338.5 4.2 -9.68 -1.74 0
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397096 135029724 1 NCl2O2F6H17C24 AB2C2D6E17F24 -358.32 6.07 -9.68 -1.9 0
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397097 135029725 1 NO2F8H13C22 AB2C8D13E22 -413.37 4.94 -10.19 -1.83 0
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397098 135029727 1 NO2F6H23C34 AB2C6D23E34 -273.63 4.79 -9.48 -1.8 0
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397099 135029728 1 NO2F6C30H31 AB2C6D30E31 -368.46 5.81 -9.58 -1.67 0
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397100 135029731 1 NF6O6H23C28 AB6C6D23E28 -502.19 3.33 -10.47 -2.07 0
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397101 135029732 1 ON2H16C19 AB2C16D19 19.96 4.8 -8.58 -0.19 0
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397102 135029733 1 NO3C19H19 AB3C19D19 -53.48 3.72 -8.29 -0.07 0
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397103 135029737 1 NO3C11H19 AB3C11D19 -156.56 4.21 -9.73 0.6 1
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397104 135029738 1 C20H21 A20B21 68.38 1.49 0.0 0.0 0
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397105 135029741 1 ClN3C12H14 AB3C12D14 66.35 4.86 -9.71 -0.37 0