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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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374593 131331881 1 ClNOH8C12 ABCD8E12 23.26 4.79 -9.68 -0.94 0
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374594 131331894 1 N2O2C11H14 A2B2C11D14 -42.24 2.93 -8.71 -0.43 0
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374595 131331900 1 N3C13H21 A3B13C21 9.88 3.45 -8.49 0.26 0
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374596 131331910 1 BrNF3O3H5C7 ABC3D3E5F7 -250.9 3.62 -9.4 -1.41 0
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374597 131331912 1 BrNF3O3H5C7 ABC3D3E5F7 -262.43 5.65 -9.36 -1.23 0
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374598 131331919 1 BrSO2H7C10 ABC2D7E10 -37.15 2.4 -9.08 -1.01 0
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374599 131331928 1 FNOC11H12 ABCD11E12 -60.17 3.39 -9.1 -0.37 0
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374600 131331937 1 SN5C9H13 AB5C9D13 73.36 6.53 -9.61 -1.43 0
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374601 131331941 1 ClSF2O2H5C10 ABC2D2E5F10 -146.26 3.35 -9.55 -1.62 0
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374602 131341969 1 BrFNH9C10 ABCD9E10 -6.29 3.3 -9.91 -0.57 0
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374603 131341970 1 BrFNH9C10 ABCD9E10 -3.99 3.24 -9.78 -0.5 0
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374604 131342016 1 SF2O2H8C10 AB2C2D8E10 -157.39 2.83 -8.58 -0.73 0
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374605 131342017 1 SF2O2H8C10 AB2C2D8E10 -157.1 3.31 -8.49 -0.78 0
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374606 131342018 1 SF2O2H8C10 AB2C2D8E10 -157.28 3.69 -8.41 -0.87 0
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374607 131342019 1 SF2O2H8C10 AB2C2D8E10 -156.69 3.95 -8.5 -0.85 0
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374608 131342020 1 SF2O2H8C10 AB2C2D8E10 -155.1 1.56 -8.53 -1.0 0
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374609 131342022 1 SF2O2H8C10 AB2C2D8E10 -160.28 4.72 -8.91 -0.67 0
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374610 131342026 1 SF2O2H8C10 AB2C2D8E10 -158.23 2.0 -8.39 -0.7 0
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374611 131342029 1 N4C9H18 A4B9C18 17.51 3.62 -9.64 0.38 0
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374612 131342030 1 BrNF3C11H11 ABC3D11E11 -122.89 4.23 -9.63 -0.21 0
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374613 131342031 1 ClNF3C11H11 ABC3D11E11 -135.35 4.24 -9.54 -0.16 0
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374614 131342032 1 NF3C12H20 AB3C12D20 -180.08 4.79 -9.61 0.16 0
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374615 131342034 1 NF3C10H16 AB3C10D16 -171.65 2.81 -9.69 0.17 0
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374616 131342035 1 NOF3H8C11 ABC3D8E11 -137.8 3.8 -10.41 -1.08 0
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374617 131342036 1 NF3C10H16 AB3C10D16 -165.91 2.42 -9.75 -0.16 0
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374618 131342037 1 NF3C9H14 AB3C9D14 -167.16 2.34 -9.69 -0.09 0
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374619 131342038 1 OF3C9H9 AB3C9D9 -185.49 2.47 -10.24 -0.31 0
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374620 131342039 1 NF3C12H14 AB3C12D14 -138.07 3.32 -9.36 0.12 0
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374621 131342041 1 NF4C11H11 AB4C11D11 -174.58 5.34 -9.65 -0.24 0
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374622 131342042 1 NF3C8H12 AB3C8D12 -160.04 2.24 -9.87 -0.17 0
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374623 131342043 1 NF3C7H12 AB3C7D12 -165.53 3.21 -9.78 0.22 0
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374624 131342044 1 NF3C8H12 AB3C8D12 -139.88 3.09 -9.86 0.2 0
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374625 131342045 1 NC12H23 AB12C23 -30.82 1.97 -9.11 1.51 0
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374626 131342046 1 OC12H20 AB12C20 -70.41 3.68 -9.58 0.72 0
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374627 131342047 2 OC7H14 AB7C14 -148.07 1.63 -9.62 2.26 0
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374628 131342048 2 OC7H13 AB7C13 -136.21 1.63 -9.65 2.25 0
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374629 131342051 1 OSF3H7C10 ABC3D7E10 -155.24 1.92 -9.22 -1.01 0
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374630 131342057 1 NO2C6H9 AB2C6D9 -46.43 1.9 -10.02 0.73 0
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374631 131342058 1 SN2C5H6 AB2C5D6 49.43 2.15 -8.54 0.15 1
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374632 131342059 1 BrO2N5H7C8 AB2C5D7E8 9.9 7.92 0.0 0.0 0
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374633 131342060 1 NC8H17 AB8C17 -17.13 2.21 -9.33 1.2 0
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374634 131342061 1 NOSC5H5 ABCD5E5 3.56 2.94 -9.58 -0.73 0
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374635 131342062 1 FINOH5C8 ABCDE5F8 -19.88 3.74 -10.03 -1.62 0
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374636 131342063 1 FINOH5C8 ABCDE5F8 -20.32 3.08 -10.03 -1.59 0
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374637 131342064 1 FINOH5C8 ABCDE5F8 -19.61 4.17 -9.91 -1.55 0
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374638 131342066 1 FINOH5C8 ABCDE5F8 -18.97 2.86 -9.99 -1.59 0
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374639 131342071 1 FINOH5C8 ABCDE5F8 -21.44 4.15 -10.07 -1.64 0
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374640 131342072 1 FINOH5C8 ABCDE5F8 -20.84 2.52 -10.03 -1.64 0
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374641 131342073 1 FINOH5C8 ABCDE5F8 -19.5 5.02 -10.02 -1.6 0
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374642 131342080 1 FINOH5C8 ABCDE5F8 -18.59 3.9 -10.11 -1.63 0