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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
354985 |
127287846 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-133.18 |
2.82 |
-9.84 |
0.64 |
0 |
|
|
354986 |
127287847 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-145.81 |
2.12 |
-8.6 |
-0.27 |
0 |
|
|
354987 |
127287848 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-119.67 |
3.97 |
-9.7 |
0.0 |
0 |
|
|
354988 |
127287849 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-116.64 |
4.38 |
-9.46 |
-0.44 |
0 |
|
|
354989 |
127287850 |
1 |
FN2O4C15H17 |
AB2C4D15E17 |
-206.32 |
1.99 |
-9.32 |
-0.56 |
0 |
|
|
354990 |
127287851 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-154.41 |
3.28 |
-8.98 |
-0.31 |
0 |
|
|
354991 |
127287852 |
1 |
FN3O3C17H20 |
AB3C3D17E20 |
-162.77 |
4.74 |
-9.69 |
-0.57 |
0 |
|
|
354992 |
127287853 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-115.97 |
2.74 |
-8.87 |
0.71 |
0 |
|
|
354993 |
127287854 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-111.46 |
1.41 |
-8.75 |
0.62 |
0 |
|
|
354994 |
127287855 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-66.85 |
3.3 |
-8.76 |
0.0 |
0 |
|
|
354995 |
127287856 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-106.97 |
3.74 |
-9.0 |
0.7 |
0 |
|
|
354996 |
127287857 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-112.52 |
3.37 |
-8.91 |
0.7 |
0 |
|
|
354997 |
127287858 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-107.64 |
2.71 |
-8.95 |
0.82 |
0 |
|
|
354998 |
127287859 |
3 |
NOC4H7 |
ABC4D7 |
-140.16 |
6.73 |
-9.09 |
0.61 |
0 |
|
|
354999 |
127287860 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-86.37 |
4.05 |
-8.81 |
-0.02 |
0 |
|
|
355000 |
127287861 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-116.47 |
1.95 |
-8.68 |
-0.32 |
0 |
|
|
355001 |
127287862 |
1 |
FN3O3C18H22 |
AB3C3D18E22 |
-176.02 |
8.06 |
-8.99 |
-0.44 |
0 |
|
|
355002 |
127287863 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-108.91 |
1.82 |
-8.75 |
-0.36 |
0 |
|
|
355003 |
127287864 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-147.9 |
5.25 |
-8.74 |
0.75 |
0 |
|
|
355004 |
127287865 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-102.12 |
3.18 |
-8.85 |
0.64 |
0 |
|
|
355005 |
127287866 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-160.75 |
0.83 |
-9.68 |
0.49 |
0 |
|
|
355006 |
127287867 |
2 |
ON2C8H11 |
AB2C8D11 |
-72.45 |
1.15 |
-8.58 |
-0.12 |
0 |
|
|
355007 |
127287868 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-128.35 |
4.11 |
-9.48 |
0.27 |
0 |
|
|
355008 |
127287869 |
2 |
ON2C6H9 |
AB2C6D9 |
-58.88 |
2.35 |
-9.61 |
0.36 |
0 |
|
|
355009 |
127287870 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-105.39 |
1.59 |
-8.87 |
0.72 |
0 |
|
|
355010 |
127287871 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-84.56 |
2.93 |
-8.67 |
-0.13 |
0 |
|
|
355011 |
127287872 |
1 |
SN2O2C10H16 |
AB2C2D10E16 |
-93.65 |
5.26 |
-9.02 |
0.22 |
0 |
|
|
355012 |
127287873 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-122.36 |
4.04 |
-9.56 |
0.18 |
0 |
|
|
355013 |
127287874 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-130.14 |
4.57 |
-9.86 |
0.28 |
0 |
|
|
355014 |
127287875 |
2 |
NOC7H11 |
ABC7D11 |
-105.25 |
1.9 |
-10.0 |
0.72 |
0 |
|
|
355015 |
127287876 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-146.08 |
4.64 |
-9.37 |
-0.52 |
0 |
|
|
355016 |
127287877 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-146.83 |
5.01 |
-9.35 |
-0.64 |
0 |
|
|
355017 |
127287878 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-108.87 |
3.28 |
-8.81 |
-0.16 |
0 |
|
|
355018 |
127287879 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-110.69 |
8.92 |
-9.66 |
0.64 |
0 |
|
|
355019 |
127287880 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-118.37 |
1.15 |
-9.1 |
-0.42 |
0 |
|
|
355020 |
127287881 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-55.48 |
1.79 |
-8.89 |
-0.18 |
0 |
|
|
355021 |
127287882 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-101.13 |
5.95 |
-9.38 |
-0.16 |
0 |
|
|
355022 |
127287883 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-151.91 |
3.85 |
-9.52 |
0.45 |
0 |
|
|
355023 |
127287884 |
1 |
FN3O3C18H22 |
AB3C3D18E22 |
-165.11 |
7.9 |
-9.66 |
-0.63 |
0 |
|
|
355024 |
127287885 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-101.11 |
1.84 |
-8.95 |
-0.36 |
0 |
|
|
355025 |
127287886 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-155.52 |
8.06 |
-9.33 |
-0.96 |
0 |
|
|
355026 |
127287887 |
1 |
O2N6C15H22 |
A2B6C15D22 |
-46.02 |
1.35 |
-8.56 |
-0.1 |
0 |
|
|
355027 |
127287888 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-116.23 |
8.05 |
-9.23 |
-0.4 |
0 |
|
|
355028 |
127287889 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-116.36 |
6.18 |
-9.13 |
-0.33 |
0 |
|
|
355029 |
127287890 |
1 |
SO2N3C16H17 |
AB2C3D16E17 |
-40.68 |
1.86 |
-8.7 |
-0.64 |
0 |
|
|
355030 |
127287891 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-87.38 |
0.91 |
-8.78 |
-0.75 |
0 |
|
|
355031 |
127287892 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-92.96 |
2.01 |
-8.75 |
0.45 |
0 |
|
|
355032 |
127287893 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-81.22 |
8.48 |
-9.83 |
-0.71 |
0 |
|
|
355033 |
127287894 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-116.68 |
7.52 |
-9.26 |
-0.28 |
0 |
|
|
355034 |
127287895 |
1 |
BrO3N4C16H19 |
AB3C4D16E19 |
-104.0 |
7.34 |
-9.45 |
-0.8 |
0 |
|
|
355035 |
127287896 |
1 |
ClO3N4C16H19 |
AB3C4D16E19 |
-115.28 |
7.28 |
-9.37 |
-0.77 |
0 |
|
|
355036 |
127287897 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-108.66 |
2.06 |
-8.8 |
0.55 |
0 |
|
|
355037 |
127287898 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-88.31 |
2.85 |
-8.92 |
0.58 |
0 |
|
|
355038 |
127287899 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-118.94 |
3.18 |
-9.53 |
0.64 |
0 |
|
|
355039 |
127287900 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-64.55 |
7.13 |
-9.85 |
-0.8 |
0 |
|
|
355040 |
127287901 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-72.45 |
7.37 |
-9.04 |
0.45 |
0 |
|
|
355041 |
127287902 |
1 |
SO2N3C11H15 |
AB2C3D11E15 |
-68.88 |
1.64 |
-8.99 |
-0.52 |
0 |
|
|
355042 |
127287903 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-150.95 |
1.84 |
-9.97 |
0.65 |
0 |
|
|
355043 |
127287904 |
1 |
ClN3O4C17H20 |
AB3C4D17E20 |
-146.72 |
4.84 |
-9.36 |
-0.55 |
0 |
|
|
355044 |
127287905 |
1 |
BrN2O4C15H17 |
AB2C4D15E17 |
-145.12 |
4.0 |
-9.09 |
-0.51 |
0 |
|
|
355045 |
127287906 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-121.24 |
2.55 |
-8.71 |
0.7 |
0 |
|
|
355046 |
127287907 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-107.41 |
3.62 |
-9.17 |
-0.43 |
0 |
|
|
355047 |
127287908 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-116.03 |
3.13 |
-8.72 |
0.6 |
0 |
|
|
355048 |
127287909 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-67.28 |
1.22 |
-9.74 |
-0.5 |
0 |
|
|
355049 |
127287910 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-115.66 |
8.2 |
-9.08 |
-0.21 |
0 |
|
|
355050 |
127287911 |
1 |
FN2O3C16H19 |
AB2C3D16E19 |
-166.83 |
1.72 |
-9.73 |
-0.2 |
0 |
|
|
355051 |
127287912 |
1 |
O2F3N3C12H18 |
A2B3C3D12E18 |
-260.56 |
4.2 |
-9.54 |
0.38 |
0 |
|
|
355052 |
127287913 |
1 |
SO2N4C8H10 |
AB2C4D8E10 |
-43.63 |
2.28 |
-9.77 |
-0.96 |
0 |
|
|
355053 |
127287914 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-156.76 |
2.14 |
-9.73 |
0.46 |
0 |
|
|
355054 |
127287915 |
2 |
NOC7H11 |
ABC7D11 |
-112.29 |
5.32 |
-9.65 |
0.55 |
0 |
|
|
355055 |
127287916 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-115.52 |
7.72 |
-8.97 |
0.5 |
0 |
|
|
355056 |
127287917 |
1 |
SN2O2C14H20 |
AB2C2D14E20 |
-83.95 |
7.12 |
-9.5 |
-0.62 |
0 |
|
|
355057 |
127287918 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-95.01 |
8.31 |
-9.63 |
-1.01 |
0 |
|
|
355058 |
127287919 |
1 |
SO2N4C12H18 |
AB2C4D12E18 |
-61.46 |
2.33 |
-9.73 |
-0.92 |
0 |
|
|
355059 |
127287920 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-76.45 |
7.3 |
-9.25 |
0.1 |
0 |
|
|
355060 |
127287921 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-164.58 |
4.65 |
-9.59 |
0.51 |
0 |
|
|
355061 |
127287922 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-68.18 |
2.34 |
-9.68 |
-0.25 |
0 |
|
|
355062 |
127287923 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-146.17 |
9.02 |
-9.49 |
0.68 |
0 |
|
|
355063 |
127287924 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-107.09 |
6.76 |
-8.92 |
0.59 |
0 |
|
|
355064 |
127287925 |
1 |
SN2O2C15H22 |
AB2C2D15E22 |
-88.84 |
2.25 |
-9.34 |
-0.43 |
0 |
|
|
355065 |
127287926 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-91.15 |
3.28 |
-9.88 |
-0.33 |
0 |
|
|
355066 |
127287927 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-68.12 |
6.3 |
-9.22 |
-0.68 |
0 |
|
|
355067 |
127287928 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-66.38 |
4.02 |
-8.74 |
-0.42 |
0 |
|
|
355068 |
127287929 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-35.08 |
6.22 |
-9.4 |
-0.92 |
0 |
|
|
355069 |
127287930 |
1 |
BrN2O3C16H19 |
AB2C3D16E19 |
-115.32 |
1.81 |
-9.72 |
-0.46 |
0 |
|
|
355070 |
127287931 |
1 |
SN3O3C14H23 |
AB3C3D14E23 |
-135.32 |
1.33 |
-8.84 |
0.28 |
0 |
|
|
355071 |
127287932 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-75.58 |
1.64 |
-9.04 |
0.32 |
0 |
|
|
355072 |
127287933 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-104.31 |
2.32 |
-9.0 |
-0.03 |
0 |
|
|
355073 |
127287934 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-126.04 |
2.24 |
-8.67 |
0.75 |
0 |
|
|
355074 |
127287935 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-154.06 |
4.16 |
-9.22 |
-0.48 |
0 |
|
|
355075 |
127287936 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-131.72 |
6.19 |
-9.58 |
0.57 |
0 |
|
|
355076 |
127287937 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-119.3 |
2.25 |
-8.67 |
0.72 |
0 |
|
|
355077 |
127287938 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-148.73 |
10.13 |
-9.57 |
0.7 |
0 |
|
|
355078 |
127287939 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-115.07 |
1.38 |
-8.66 |
0.69 |
0 |
|
|
355079 |
127287940 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-165.93 |
8.6 |
-9.76 |
0.41 |
0 |
|
|
355080 |
127287941 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-115.79 |
6.14 |
-9.03 |
-0.02 |
0 |
|
|
355081 |
127287942 |
1 |
SO2N4C13H18 |
AB2C4D13E18 |
-46.71 |
7.63 |
-9.18 |
-0.81 |
0 |
|
|
355082 |
127287943 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-44.3 |
5.84 |
-9.41 |
-0.4 |
0 |
|
|
355083 |
127287944 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-75.62 |
5.39 |
-8.87 |
-0.2 |
0 |
|
|
355084 |
127287945 |
1 |
ClN2O2C14H15 |
AB2C2D14E15 |
-84.55 |
3.43 |
-9.51 |
-0.33 |
0 |