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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395563 135025842 1 NSiS2F3O4C16H26 ABC2D3E4F16G26 -332.26 6.07 -8.34 -1.34 0
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395564 135025851 1 NSO3C17H17 ABC3D17E17 -71.53 3.98 -8.55 -0.54 0
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395565 135025854 1 N3O4C19H29 A3B4C19D29 -183.94 5.21 -8.06 -0.11 0
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395566 135025858 1 NSO3C25H25 ABC3D25E25 -66.6 5.99 -8.56 -0.65 0
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395567 135025862 1 NSO3C18H19 ABC3D18E19 -85.45 4.64 -8.46 -0.61 0
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395568 135025864 1 IN3H8C9 AB3C8D9 105.14 4.86 -9.9 -1.65 0
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395569 135025865 1 SiO3C19H26 AB3C19D26 -168.8 5.34 -8.68 -0.53 0
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395570 135025866 1 SN2O6H14C19 AB2C6D14E19 -92.88 8.46 -9.75 -1.78 0
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395571 135025868 1 NO9C41H45 AB9C41D45 -285.63 1.42 -9.26 -0.7 0
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395572 135025869 1 BrN2O2H9C10 AB2C2D9E10 -19.4 3.92 -9.18 -0.72 0
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395573 135025870 1 NO4C10H17 AB4C10D17 -168.44 3.19 -9.94 0.44 0
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395575 135025872 1 BrNOH18C22 ABCD18E22 35.19 1.27 -8.82 -0.4 0
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395578 135025883 1 NSO3C9H9 ABC3D9E9 -67.5 2.55 -9.27 -0.8 0
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395579 135025884 2 NC16H24 AB16C24 75.47 1.89 -8.67 -0.11 0
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395580 135025885 2 NC16H24 AB16C24 75.76 1.48 -8.57 -0.26 0
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395581 135025886 1 NO3C10H15 AB3C10D15 -134.69 6.83 -10.1 0.14 0
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395582 135025887 1 N3O4C17H23 A3B4C17D23 -132.83 4.01 -9.22 -1.34 0
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395583 135025888 2 O2H15C16 A2B15C16 -112.34 3.1 -9.28 -0.62 0
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395584 135025890 2 NO3C7H8 AB3C7D8 -150.06 3.58 -8.53 -0.61 0
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395585 135025891 1 ClN2O5C13H13 AB2C5D13E13 -120.43 3.33 -9.05 -0.81 0
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395586 135025892 1 FCl2N2O2H13C18 AB2C2D2E13F18 -91.85 5.92 -9.16 -0.88 0
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395587 135025893 1 ON2H16C20 AB2C16D20 38.59 3.69 -7.97 -0.77 0
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395588 135025894 2 O3C7H15 A3B7C15 -265.69 5.71 -9.74 1.26 0
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395589 135025895 1 SN2O7C14H30 AB2C7D14E30 -275.33 8.51 -8.1 0.78 0
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395590 135025896 2 NO2C8H10 AB2C8D10 -70.56 7.67 -8.78 -1.04 0
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395591 135025897 1 NO2C19H19 AB2C19D19 -7.62 1.77 -8.57 -0.24 0
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395592 135025898 1 NO2H17C18 AB2C17D18 4.59 3.55 -8.5 -0.23 0
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395593 135025902 1 NO3C29H31 AB3C29D31 -49.03 2.38 -8.41 -0.08 0
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395594 135025909 1 PdP2C4H14 AB2C4D14 35.83 2.7 -6.97 2.48 0
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395595 135025925 1 NSF3O3H16C18 ABC3D3E16F18 -239.97 6.83 -9.23 -0.75 0
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395596 135025930 1 Br2O3H14C17 A2B3C14D17 -27.05 1.59 -9.62 -0.8 0
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395597 135025931 2 BrOH3C5 ABC3D5 -19.43 1.83 -9.83 -1.37 0
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395598 135025935 1 FO5C15H17 AB5C15D17 -225.59 3.21 -9.91 -0.31 0
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395599 135025936 1 O6C17H22 A6B17C22 -218.73 2.16 -9.52 0.0 0
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395600 135025942 1 N3C11H11 A3B11C11 66.41 1.85 -8.92 -0.49 0
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395603 135025963 1 O9C38H60 A9B38C60 -425.81 3.9 -8.81 0.16 0
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395604 135025965 3 OC6H8 AB6C8 -99.07 3.62 -8.51 -0.79 0
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395606 135025967 1 N2O6C25H28 A2B6C25D28 -190.68 5.19 -9.11 -0.74 0
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395607 135025972 1 N3O5H9C13 A3B5C9D13 -60.89 9.24 -10.02 -1.08 0
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395608 135025973 1 ON4H14C18 AB4C14D18 100.34 5.86 -9.08 -0.95 0
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395609 135025995 1 ON2C22H26 AB2C22D26 -1.68 2.73 -8.24 0.09 1
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395610 135025998 1 ON2C22H23 AB2C22D23 40.58 1.01 0.0 0.0 0
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395611 135026006 1 O6N7C22H39 A6B7C22D39 -313.88 4.58 -9.77 0.19 0
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395612 135026014 1 NSO2H21C22 ABC2D21E22 -7.81 5.01 -8.87 -0.57 0
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395613 135026016 1 ClSF2N2O4C22H29 ABC2D2E4F22G29 -280.77 5.18 -8.49 -0.75 0
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395614 135026023 1 N2O2H12C17 A2B2C12D17 8.13 5.52 -8.18 -1.65 0
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395615 135026024 1 SN2O3H12C16 AB2C3D12E16 -37.01 6.38 -8.34 -1.5 0
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395616 135026025 1 N8C11H14 A8B11C14 167.04 2.52 -9.14 0.16 0
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395617 135026026 2 H31C46 A31B46 368.7 0.02 -8.83 -0.24 0
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395619 135026029 1 ON2C3H3 AB2C3D3 15.21 5.97 0.0 0.0 0