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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390880 135001426 1 NO3C8H11 AB3C8D11 -110.97 2.02 -10.23 -0.21 0
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390881 135001428 1 O3C16H18 A3B16C18 -100.45 3.76 -9.13 0.18 0
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390882 135001429 1 BF3N5C28H45 AB3C5D28E45 -166.11 6.51 -8.11 -0.53 0
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390883 135001430 1 SO2C11H12 AB2C11D12 -32.99 6.35 -9.85 -0.13 0
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390884 135001431 1 NOC22H25 ABC22D25 8.43 3.06 -9.34 -0.08 0
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390885 135001433 1 O2F4H12C13 A2B4C12D13 -253.23 1.15 -10.34 -1.32 0
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390886 135001434 1 O3C17H20 A3B17C20 -98.02 1.14 -8.48 -0.38 0
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390887 135001441 1 NO3C20H25 AB3C20D25 -101.38 2.7 -9.5 -0.08 0
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390888 135001449 1 NOH13C19 ABC13D19 64.74 6.02 -9.19 -0.84 0
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390889 135001450 1 BrFO3H14C18 ABC3D14E18 -106.85 0.67 -10.05 -1.35 0
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390890 135001455 1 SO3C11H14 AB3C11D14 -108.38 3.51 -9.36 -0.44 0
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390891 135001460 1 PO3H23C24 AB3C23D24 -45.88 2.97 -8.66 -0.4 0
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390892 135001461 1 NSF3O9H18C21 ABC3D9E18F21 -364.31 4.61 -9.59 -1.73 0
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390893 135001463 1 NO2F7H14C23 AB2C7D14E23 -351.89 9.09 -9.6 -1.55 0
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390894 135001464 1 SiH26C29 AB26C29 106.22 0.82 -9.14 -0.33 0
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390895 135001465 1 N2O3H20C22 A2B3C20D22 8.92 8.64 -9.68 -1.28 0
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390896 135001466 1 O2H14C17 A2B14C17 -11.9 4.85 -9.1 -0.87 0
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390897 135001467 1 NSF3O9H18C21 ABC3D9E18F21 -357.55 2.22 -9.67 -1.71 0
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390898 135001469 1 ClNO4H8C10 ABC4D8E10 -64.65 6.21 -10.48 -1.82 0
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390899 135001470 1 ClNO2C11H12 ABC2D11E12 -74.07 6.6 -10.2 -0.41 0
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390900 135001474 1 BrO9C26H43 AB9C26D43 -469.01 3.26 -10.3 -0.74 0
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390901 135001499 1 ClRuSN2O2C41H56 ABCD2E2F41G56 21.11 2.44 0.0 0.0 0
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390902 135001512 1 O3H16C18 A3B16C18 -62.46 5.38 -9.55 -0.73 0
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390903 135001515 2 OC6H7 AB6C7 -59.68 3.47 -9.57 -0.73 0
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390904 135001516 1 NSO2C16H19 ABC2D16E19 -43.43 8.09 -9.91 -0.66 0
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390905 135001521 1 SO2C10H12 AB2C10D12 -58.67 1.97 -9.6 -1.07 0
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390906 135001538 2 OH8C9 AB8C9 -17.17 5.5 -9.04 -0.83 0
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390907 135001539 1 O3C16H18 A3B16C18 -98.83 2.09 -9.3 0.25 0
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390908 135001540 2 N2H8C9 A2B8C9 108.25 1.43 -8.66 -0.5 0
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390909 135001550 1 ClNO2H10C11 ABC2D10E11 -21.74 1.69 -9.46 -0.73 0
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390910 135001551 1 NOBr3C4H8 ABC3D4E8 -114.28 7.34 -9.78 -1.64 0
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390914 135001558 1 NSO9C25H39 ABC9D25E39 -420.62 7.94 -9.76 -0.1 0
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390915 135001559 1 SF2N3O7C28H33 AB2C3D7E28F33 -325.24 6.26 -9.44 -1.38 0
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390916 135001561 1 ON5C9H17 AB5C9D17 9.69 3.51 -9.48 -0.01 0
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390917 135001562 1 NO2C9H15 AB2C9D15 -32.06 5.01 -9.52 0.91 1
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390918 135001563 1 OPRuCl2C29H48 ABCD2E29F48 1.64 24.98 0.0 0.0 0
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390919 135001569 1 O2F3C14H15 A2B3C14D15 -227.07 4.08 -10.33 -0.8 0
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390920 135001571 1 ON2H18C19 AB2C18D19 34.94 0.82 -8.22 -0.31 0
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390921 135001578 1 NO2C12H13 AB2C12D13 -45.73 2.76 -9.07 0.11 0
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390922 135001587 1 ClSO3H5C7 ABC3D5E7 -97.06 5.72 -9.78 -1.09 0
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390923 135001597 1 NC2O2H3 AB2C2D3 21.47 4.5 -8.8 -1.05 0
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390924 135001599 1 ClN4O7C21H21 AB4C7D21E21 -202.62 4.04 -9.26 -0.96 0
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390925 135001601 1 OH16C17 AB16C17 10.97 4.19 -9.49 -0.51 0
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390926 135001603 1 NF2O2C12H13 AB2C2D12E13 -139.79 6.49 -9.12 -0.58 0
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390927 135001619 1 SN2H16C19 AB2C16D19 101.22 2.33 -8.49 -0.67 0
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390929 135001647 1 PO3H13C14 AB3C13D14 -122.39 5.14 -9.38 -0.71 0
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390930 135001648 1 PO5C13H17 AB5C13D17 -257.1 3.1 -10.08 -1.06 0
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390931 135001651 1 FO2H15C16 AB2C15D16 -70.51 5.67 -8.25 -0.37 0
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390932 135001654 3 NC5H5 AB5C5 81.27 2.75 -8.13 -0.24 -4
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390933 135001666 1 Cl2S2F3P3N5O11C18H23 A2B2C3D3E5F11G18H23 -741.64 3.82 -8.85 -1.45 0