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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
69851 |
47205558 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-6.3 |
6.24 |
-8.46 |
-0.3 |
0 |
|
|
69852 |
47205564 |
1 |
OSN4C11H14 |
ABC4D11E14 |
6.71 |
3.74 |
-8.81 |
-0.56 |
0 |
|
|
69853 |
47205568 |
1 |
ClSO2N3H12C13 |
ABC2D3E12F13 |
-35.61 |
3.38 |
-9.12 |
-0.9 |
0 |
|
|
69854 |
47205573 |
1 |
S2N3O3C12H19 |
A2B3C3D12E19 |
-111.96 |
5.38 |
-9.47 |
-0.65 |
0 |
|
|
69855 |
47205574 |
1 |
OSN6C12H14 |
ABC6D12E14 |
53.03 |
3.21 |
-8.66 |
-1.36 |
0 |
|
|
69856 |
47205576 |
1 |
OSN5C10H13 |
ABC5D10E13 |
40.22 |
4.26 |
-9.82 |
-1.1 |
0 |
|
|
69857 |
47205580 |
1 |
ON3C14H17 |
AB3C14D17 |
1.61 |
1.37 |
-8.95 |
-0.14 |
0 |
|
|
69858 |
47205588 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-85.64 |
4.78 |
-9.65 |
-0.61 |
0 |
|
|
69859 |
47205589 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-96.08 |
2.35 |
-9.71 |
-0.47 |
0 |
|
|
69860 |
47205591 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-36.88 |
3.83 |
-8.82 |
0.06 |
0 |
|
|
69861 |
47205592 |
1 |
SO3N4C12H12 |
AB3C4D12E12 |
-15.06 |
2.29 |
-8.95 |
-1.06 |
0 |
|
|
69862 |
47205594 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-85.35 |
5.26 |
-9.8 |
-0.32 |
0 |
|
|
69863 |
47205608 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-60.0 |
5.74 |
-9.03 |
-0.25 |
0 |
|
|
69864 |
47205616 |
2 |
NOC7H10 |
ABC7D10 |
-96.3 |
1.73 |
-8.66 |
0.05 |
0 |
|
|
69865 |
47205617 |
1 |
FN2O2C13H17 |
AB2C2D13E17 |
-134.18 |
1.56 |
-9.04 |
-0.31 |
0 |
|
|
69866 |
47205618 |
1 |
N2O5C9H12 |
A2B5C9D12 |
-135.13 |
7.11 |
-9.96 |
-0.6 |
0 |
|
|
69867 |
47205628 |
1 |
ClON3H10C12 |
ABC3D10E12 |
32.52 |
3.56 |
-8.81 |
-0.76 |
0 |
|
|
69868 |
47205629 |
1 |
BrON5H10C13 |
ABC5D10E13 |
74.15 |
1.65 |
-9.15 |
-0.82 |
0 |
|
|
69869 |
47205630 |
4 |
NOC3H3 |
ABC3D3 |
-20.41 |
6.74 |
-9.0 |
-1.4 |
0 |
|
|
69870 |
47205653 |
1 |
ClN2O2C15H21 |
AB2C2D15E21 |
-94.8 |
4.24 |
-8.99 |
-0.66 |
0 |
|
|
69871 |
47205655 |
1 |
N2S2O3C12H18 |
A2B2C3D12E18 |
-108.09 |
6.16 |
-9.18 |
-0.45 |
0 |
|
|
69872 |
47205661 |
2 |
NOC8H11 |
ABC8D11 |
-95.46 |
1.23 |
-9.42 |
0.07 |
0 |
|
|
69873 |
47205664 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-99.57 |
3.24 |
-9.49 |
-0.13 |
0 |
|
|
69874 |
47205665 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-84.64 |
3.5 |
-9.77 |
-0.57 |
0 |
|
|
69875 |
47205666 |
2 |
NOC7H10 |
ABC7D10 |
-96.62 |
4.08 |
-8.68 |
0.11 |
0 |
|
|
69876 |
47205667 |
1 |
FN2O2C13H17 |
AB2C2D13E17 |
-129.91 |
1.29 |
-9.71 |
-0.19 |
0 |
|
|
69877 |
47205668 |
1 |
ClN2O3C14H19 |
AB2C3D14E19 |
-137.02 |
2.67 |
-8.62 |
-0.38 |
0 |
|
|
69878 |
47205669 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-66.94 |
4.77 |
-8.67 |
-0.55 |
0 |
|
|
69879 |
47205671 |
1 |
SN2O4C12H18 |
AB2C4D12E18 |
-142.82 |
4.93 |
-10.04 |
-0.94 |
0 |
|
|
69880 |
47205672 |
1 |
ClN3O3C13H16 |
AB3C3D13E16 |
-104.43 |
3.96 |
-9.84 |
-0.79 |
0 |
|
|
69881 |
47205673 |
1 |
N3O4C13H19 |
A3B4C13D19 |
-154.67 |
3.03 |
-9.32 |
-0.17 |
0 |
|
|
69882 |
47205674 |
1 |
ClN2O3C13H17 |
AB2C3D13E17 |
-125.39 |
2.58 |
-8.57 |
-0.32 |
0 |
|
|
69883 |
47205689 |
2 |
FNOC6H7 |
ABCD6E7 |
-173.82 |
4.38 |
-9.1 |
-0.44 |
0 |
|
|
69884 |
47205690 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-119.44 |
2.93 |
-9.27 |
-0.71 |
0 |
|
|
69885 |
47205691 |
1 |
N2O4C13H16 |
A2B4C13D16 |
-145.93 |
4.32 |
-8.38 |
-0.17 |
0 |
|
|
69886 |
47205692 |
2 |
NO2C7H9 |
AB2C7D9 |
-147.58 |
3.55 |
-8.8 |
-0.12 |
0 |
|
|
69887 |
47205693 |
2 |
NOC7H10 |
ABC7D10 |
-91.14 |
3.45 |
-9.48 |
0.24 |
0 |
|
|
69888 |
47205694 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-84.3 |
3.27 |
-9.03 |
-0.91 |
0 |
|
|
69889 |
47205695 |
1 |
SN2O4C12H12 |
AB2C4D12E12 |
-90.23 |
4.66 |
-10.01 |
-0.99 |
0 |
|
|
69890 |
47205696 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-80.7 |
5.86 |
-8.9 |
-0.32 |
0 |
|
|
69891 |
47205698 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-98.58 |
2.0 |
-9.59 |
-0.17 |
0 |
|
|
69892 |
47205702 |
1 |
O2N3C13H13 |
A2B3C13D13 |
-19.27 |
3.8 |
-8.65 |
-0.95 |
0 |
|
|
69893 |
47205704 |
1 |
O2N3C15H15 |
A2B3C15D15 |
-13.44 |
2.24 |
-8.79 |
-0.41 |
0 |
|
|
69894 |
47205709 |
1 |
FO2N3H12C13 |
AB2C3D12E13 |
-42.1 |
3.71 |
-8.72 |
-0.92 |
0 |
|
|
69895 |
47205711 |
1 |
ClN2O3C14H19 |
AB2C3D14E19 |
-126.16 |
3.32 |
-9.59 |
-0.5 |
0 |
|
|
69896 |
47205714 |
1 |
N3O3C11H17 |
A3B3C11D17 |
-82.99 |
3.79 |
-9.8 |
-0.97 |
0 |
|
|
69897 |
47205715 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-123.35 |
3.68 |
-9.47 |
-0.09 |
0 |
|
|
69898 |
47205717 |
1 |
ClO2N3C12H16 |
AB2C3D12E16 |
-72.56 |
2.03 |
-9.98 |
-1.02 |
0 |
|
|
69899 |
47205719 |
2 |
FNOC7H9 |
ABCD7E9 |
-183.14 |
0.69 |
-9.84 |
-0.66 |
0 |
|
|
69900 |
47205724 |
1 |
FN2O2C14H19 |
AB2C2D14E19 |
-130.77 |
4.68 |
-9.56 |
-0.65 |
0 |
|
|
69901 |
47205729 |
1 |
ClN2O3C13H15 |
AB2C3D13E15 |
-94.64 |
3.24 |
-8.78 |
-0.42 |
0 |
|
|
69902 |
47205730 |
1 |
N3O3C10H17 |
A3B3C10D17 |
-107.29 |
3.43 |
-9.61 |
0.09 |
0 |
|
|
69903 |
47205731 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-124.25 |
4.79 |
-8.6 |
0.03 |
0 |
|
|
69904 |
47205732 |
1 |
N3O3C14H17 |
A3B3C14D17 |
-85.09 |
6.41 |
-8.57 |
-0.12 |
0 |
|
|
69905 |
47205733 |
1 |
IN2O2C12H15 |
AB2C2D12E15 |
-65.21 |
5.36 |
-9.02 |
-0.72 |
0 |
|
|
69906 |
47205734 |
2 |
NO2C7H10 |
AB2C7D10 |
-167.6 |
4.42 |
-8.74 |
0.09 |
0 |
|
|
69907 |
47205735 |
1 |
ClFN2O2C12H12 |
ABC2D2E12F12 |
-100.69 |
1.91 |
-9.26 |
-0.72 |
0 |
|
|
69908 |
47205736 |
3 |
NOC4H5 |
ABC4D5 |
-66.8 |
3.53 |
-9.56 |
-1.23 |
0 |
|
|
69909 |
47205738 |
2 |
ON2C6H7 |
AB2C6D7 |
11.81 |
2.92 |
-9.52 |
-1.26 |
0 |
|
|
69910 |
47205740 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-126.86 |
4.12 |
-9.31 |
0.04 |
0 |
|
|
69911 |
47205742 |
1 |
FN2O3C14H19 |
AB2C3D14E19 |
-171.97 |
3.5 |
-9.23 |
-0.06 |
0 |
|
|
69912 |
47205746 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-94.49 |
8.17 |
-9.16 |
-1.14 |
0 |
|
|
69913 |
47205748 |
1 |
ClN2O4H11C13 |
AB2C4D11E13 |
-78.15 |
4.33 |
-9.72 |
-0.85 |
0 |
|
|
69914 |
47205749 |
1 |
FN2O4H11C13 |
AB2C4D11E13 |
-119.33 |
3.08 |
-9.95 |
-0.72 |
0 |
|
|
69915 |
47205750 |
1 |
O2N4C13H16 |
A2B4C13D16 |
-19.04 |
2.77 |
-8.89 |
-0.41 |
0 |
|
|
69916 |
47205751 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-124.17 |
1.2 |
-8.85 |
-0.38 |
0 |
|
|
69917 |
47205752 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-41.91 |
4.15 |
-8.64 |
-0.81 |
0 |
|
|
69918 |
47205753 |
2 |
N2O2C6H7 |
A2B2C6D7 |
-138.97 |
2.19 |
-9.09 |
-0.59 |
0 |
|
|
69919 |
47205755 |
1 |
ON3C16H25 |
AB3C16D25 |
-41.99 |
3.69 |
-9.03 |
0.37 |
0 |
|
|
69920 |
47205756 |
1 |
ClON2C15H21 |
ABC2D15E21 |
-55.06 |
2.91 |
-9.14 |
-0.15 |
0 |
|
|
69921 |
47205757 |
1 |
N3O5C12H19 |
A3B5C12D19 |
-240.57 |
8.91 |
-10.06 |
0.0 |
0 |
|
|
69922 |
47205758 |
1 |
OSN3C11H11 |
ABC3D11E11 |
34.04 |
4.47 |
-8.68 |
-1.04 |
0 |
|
|
69923 |
47205759 |
1 |
ClOSN3H10C14 |
ABCD3E10F14 |
49.77 |
3.95 |
-8.78 |
-1.38 |
0 |
|
|
69924 |
47205769 |
1 |
SO3N4C12H18 |
AB3C4D12E18 |
-108.91 |
9.59 |
-9.2 |
-1.17 |
0 |
|
|
69925 |
47205772 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-89.59 |
5.4 |
-9.43 |
-0.6 |
0 |
|
|
69926 |
47205781 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-79.76 |
3.32 |
-9.71 |
-0.35 |
0 |
|
|
69927 |
47205783 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-128.48 |
3.34 |
-9.12 |
-0.05 |
0 |
|
|
69928 |
47205784 |
2 |
NOC7H10 |
ABC7D10 |
-94.4 |
3.44 |
-9.21 |
0.25 |
0 |
|
|
69929 |
47205789 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-120.5 |
1.36 |
-8.99 |
-0.01 |
0 |
|
|
69930 |
47205791 |
2 |
NOC8H12 |
ABC8D12 |
-106.38 |
2.82 |
-9.22 |
0.01 |
0 |
|
|
69931 |
47205796 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-87.07 |
4.06 |
-9.26 |
-0.33 |
0 |
|
|
69932 |
47205797 |
2 |
ON2C6H10 |
AB2C6D10 |
-71.79 |
3.17 |
-9.71 |
0.56 |
0 |
|
|
69933 |
47205798 |
2 |
ON2C6H10 |
AB2C6D10 |
-65.63 |
2.14 |
-9.41 |
0.54 |
0 |
|
|
69934 |
47205799 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-87.85 |
3.43 |
-9.64 |
-0.39 |
0 |
|
|
69935 |
47205806 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-168.0 |
5.99 |
-9.39 |
0.5 |
0 |
|
|
69936 |
47205812 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-53.75 |
4.49 |
-10.02 |
-0.74 |
0 |
|
|
69937 |
47205833 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-79.14 |
0.98 |
-9.61 |
-0.38 |
0 |
|
|
69938 |
47205834 |
1 |
SN3O4C12H23 |
AB3C4D12E23 |
-204.61 |
6.66 |
-9.64 |
0.54 |
0 |
|
|
69939 |
47205835 |
1 |
SN3O4C12H21 |
AB3C4D12E21 |
-168.22 |
1.41 |
-9.55 |
0.49 |
0 |
|
|
69940 |
47205836 |
2 |
NOC8H11 |
ABC8D11 |
-85.5 |
1.79 |
-9.48 |
0.01 |
0 |
|
|
69941 |
47205837 |
1 |
SN3O5C11H17 |
AB3C5D11E17 |
-182.83 |
5.52 |
-9.92 |
-0.2 |
0 |
|
|
69942 |
47205838 |
2 |
NOC7H12 |
ABC7D12 |
-108.63 |
3.3 |
-9.57 |
0.51 |
0 |
|
|
69943 |
47205840 |
1 |
N2O2C15H20 |
A2B2C15D20 |
-63.63 |
1.59 |
-8.9 |
-0.04 |
0 |
|
|
69944 |
47205841 |
1 |
BrO3N4C12H17 |
AB3C4D12E17 |
-96.06 |
3.86 |
-9.25 |
-0.34 |
0 |
|
|
69945 |
47205842 |
1 |
N3O4C12H17 |
A3B4C12D17 |
-138.64 |
2.75 |
-9.14 |
-0.29 |
0 |
|
|
69946 |
47205871 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-128.64 |
8.45 |
-9.71 |
0.26 |
0 |
|
|
69947 |
47205885 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-128.8 |
4.54 |
-9.37 |
0.08 |
0 |
|
|
69948 |
47205893 |
1 |
ClON2C14H21 |
ABC2D14E21 |
-72.58 |
4.39 |
-9.23 |
-0.28 |
0 |
|
|
69949 |
47205904 |
1 |
FN2O3C14H19 |
AB2C3D14E19 |
-166.94 |
2.88 |
-9.06 |
-0.23 |
0 |
|
|
69950 |
47205905 |
1 |
SO2N3C11H17 |
AB2C3D11E17 |
-78.54 |
0.74 |
-9.3 |
-0.6 |
0 |