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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399527 135040765 1 O2C15H18 A2B15C18 -72.21 3.73 -9.98 -0.65 0
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399528 135040766 1 NSO4H13C14 ABC4D13E14 -103.3 4.71 -10.29 -1.08 0
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399529 135040769 1 O4C15H18 A4B15C18 -135.14 6.23 -9.12 -0.1 0
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399530 135040773 1 BNO3C12H14 ABC3D12E14 -148.17 7.6 -8.45 0.26 0
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399531 135040775 1 S2O3H12C14 A2B3C12D14 -35.73 7.5 -9.57 -1.5 0
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399532 135040776 1 F3O5C9H15 A3B5C9D15 -389.42 3.84 -10.63 -0.01 0
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399533 135040777 1 ClSO2H11C14 ABC2D11E14 -27.73 3.52 -9.14 -1.03 0
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399534 135040778 1 FO2H15C16 AB2C15D16 -81.54 2.72 -9.76 -0.65 0
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399535 135040779 1 NO2C15H19 AB2C15D19 -73.14 5.07 -9.23 0.1 0
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399536 135040780 1 IH9C10 AB9C10 68.2 1.76 -9.33 -0.82 0
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399537 135040791 1 OC13H22 AB13C22 -60.23 1.97 -9.91 1.33 0
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399538 135040800 1 NOC18H25 ABC18D25 -36.75 3.49 -9.19 0.14 0
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399539 135040803 1 NO2C13H15 AB2C13D15 -68.1 2.39 -8.25 0.18 0
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399540 135040808 1 NO3C15H23 AB3C15D23 -155.04 2.7 -9.65 0.05 0
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399541 135040842 1 BO6C12H19 AB6C12D19 -322.53 0.67 -9.59 0.1 0
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399542 135040845 1 ON2C12H18 AB2C12D18 -40.95 4.53 -9.19 0.51 0
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399543 135040852 1 O3C14H18 A3B14C18 -122.07 4.11 -9.11 -0.76 0
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399544 135040860 1 ClO2C14H19 AB2C14D19 -103.67 1.49 -8.05 0.2 0
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399545 135040866 1 O3C11H14 A3B11C14 -85.8 4.95 -9.38 -1.09 0
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399546 135040867 2 C7H8 A7B8 58.27 0.65 -9.37 0.37 -1
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399547 135040881 1 YN2O2C14H15 AB2C2D14E15 93.26 22.38 -6.07 -2.07 -1
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399548 135040890 1 PdO2C6H11 AB2C6D11 -27.12 4.95 0.0 0.0 0
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399549 135040891 1 PdC5H10 AB5C10 56.27 2.64 -7.03 1.21 0
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399550 135040892 1 SN2F3O3C11H17 AB2C3D3E11F17 -270.14 1.61 -9.07 -0.81 0
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399551 135040896 2 FOC5H5 ABC5D5 -141.3 2.69 -9.82 -0.61 0
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399552 135040899 1 NSO4C14H15 ABC4D14E15 -119.33 2.9 -8.74 -0.36 1
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399553 135040911 1 NO2C13H14 AB2C13D14 -22.98 5.97 0.0 0.0 0
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399554 135040917 2 FOC5H5 ABC5D5 -138.07 2.86 -10.1 -0.71 0
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399555 135040922 1 NSiO3C13H25 ABC3D13E25 -182.73 3.0 -9.38 0.29 0
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399556 135040924 1 SO2N3C13H19 AB2C3D13E19 -58.63 5.78 -8.12 -0.41 0
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399557 135040926 1 O3C15H20 A3B15C20 -120.59 4.26 -9.87 -1.0 1
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399558 135040927 1 O2N5C8H12 A2B5C8D12 -41.61 1.53 0.0 0.0 0
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399559 135040928 1 O2N5C8H11 A2B5C8D11 -46.29 2.09 -9.28 -0.59 0
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399560 135040929 7 CHN ABC 146.11 9.51 -9.25 -1.45 0
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399561 135040931 4 OC3H5 AB3C5 -167.52 2.17 -10.24 -0.08 0
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399562 135040932 1 NO2C16H23 AB2C16D23 -77.81 3.27 -8.2 -0.17 0
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399563 135040933 1 NC17H21 AB17C21 19.35 1.85 -7.99 0.34 0
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399564 135040934 2 FOC5H5 ABC5D5 -148.84 0.83 -9.36 -0.51 0
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399565 135040936 1 NO4C12H21 AB4C12D21 -190.78 3.58 -10.15 0.38 0
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399566 135040939 1 SH14C16 AB14C16 49.84 1.49 -8.65 -0.42 0
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399567 135040940 1 O4C11H22 A4B11C22 -224.79 1.93 -10.16 0.7 0
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399568 135040941 1 O5C24H38 A5B24C38 -188.49 1.56 -9.3 0.21 0
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399569 135040961 1 NOC12H17 ABC12D17 25.64 5.32 -8.98 0.04 0
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399570 135040971 1 N5C11H13 A5B11C13 110.31 4.28 -8.48 -0.13 0
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399571 135040976 1 ON2H10C15 AB2C10D15 66.79 5.39 -10.19 -1.06 0
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399572 135040992 1 NOC14H19 ABC14D19 -27.58 3.34 -9.53 0.19 1
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399573 135040994 1 NO2C5H10 AB2C5D10 -71.41 2.17 0.0 0.0 0
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399574 135040996 1 BrOH15C16 ABC15D16 -2.68 3.03 -9.56 -0.51 0
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399575 135041017 1 O3C13H16 A3B13C16 -119.85 4.65 -9.75 -0.91 0
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399576 135041018 1 SiC14H24 AB14C24 -40.69 0.59 -9.21 0.33 0
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399577 135041033 1 BrOC15H17 ABC15D17 15.72 3.01 -9.0 -0.1 0
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399578 135041035 2 OC8H12 AB8C12 -91.04 5.6 -9.65 0.19 0
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399579 135041056 1 OC15H18 AB15C18 26.22 1.66 -9.09 -0.04 0
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399580 135041080 1 NOC16H23 ABC16D23 -40.63 4.94 -9.25 0.28 0
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399581 135041082 1 OC12H20 AB12C20 -24.05 1.88 -9.08 1.1 0
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399582 135041083 1 O3H16C17 A3B16C17 -53.06 2.12 -9.27 -0.59 0
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399583 135041084 1 BrON3H12C14 ABC3D12E14 57.88 4.69 -9.4 -0.72 0
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399584 135041085 1 ClO3C11H13 AB3C11D13 -124.49 3.89 -9.76 -1.33 0
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399585 135041087 1 BrOC14H17 ABC14D17 -11.26 0.76 -9.53 -0.13 0
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399586 135041088 1 ON2C14H16 AB2C14D16 -2.83 5.31 -8.18 -0.74 0
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399587 135041089 3 NH3C4 AB3C4 128.02 2.93 -9.25 -0.88 -1
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399588 135041090 1 NO4C9H16 AB4C9D16 -174.18 3.78 0.0 0.0 0
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399589 135041092 1 NO2C11H15 AB2C11D15 -85.17 4.12 -10.92 0.69 0
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399590 135041094 1 N3C15H19 A3B15C19 101.7 3.38 -9.26 -0.2 0
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399591 135041095 1 BrO2N3C12H12 AB2C3D12E12 25.47 2.39 -9.7 -0.76 0
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399592 135041128 1 NOC14H19 ABC14D19 -19.13 4.01 -9.3 0.08 0
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399593 135041142 1 ClNOH14C16 ABCD14E16 4.44 4.32 -8.4 -0.41 0
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399594 135041173 2 NC8H10 AB8C10 49.33 1.64 -8.35 0.31 0
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399595 135041181 1 NO2H11C15 AB2C11D15 -31.16 7.66 -8.82 -0.8 0
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399596 135041183 1 SiC13H16 AB13C16 68.6 2.01 -7.31 -1.16 0
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399597 135041190 1 NO3H11C13 AB3C11D13 -41.76 2.01 -9.75 -0.6 0
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399598 135041199 1 N3C17H25 A3B17C25 12.89 4.8 -8.05 0.32 0
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399599 135041201 2 O2C6H9 A2B6C9 -188.3 5.64 -10.11 0.37 0
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399600 135041204 1 NPdH15C17 ABC15D17 141.94 1.94 -7.23 0.17 0
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399601 135041214 1 O2C13H14 A2B13C14 -30.61 4.25 -9.05 -0.43 0