List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
70852 |
48413952 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-49.71 |
7.66 |
-9.56 |
-1.22 |
0 |
|
|
70853 |
48413954 |
1 |
FSO3N4C16H21 |
ABC3D4E16F21 |
-119.57 |
5.51 |
-9.51 |
-0.96 |
0 |
|
|
70854 |
48413955 |
1 |
ON6C17H20 |
AB6C17D20 |
54.45 |
4.64 |
-8.95 |
-0.66 |
0 |
|
|
70855 |
48413956 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-45.31 |
3.36 |
-9.59 |
-0.93 |
0 |
|
|
70856 |
48413958 |
2 |
ON2C8H10 |
AB2C8D10 |
-40.07 |
5.43 |
-9.68 |
-0.2 |
0 |
|
|
70857 |
48413962 |
1 |
OSN5H17C18 |
ABC5D17E18 |
80.76 |
6.29 |
-8.7 |
-0.96 |
0 |
|
|
70858 |
48413964 |
1 |
SO3N4C16H20 |
AB3C4D16E20 |
-63.86 |
5.58 |
-9.66 |
-0.97 |
0 |
|
|
70859 |
48413965 |
1 |
FON4H17C21 |
ABC4D17E21 |
16.86 |
1.75 |
-9.32 |
-1.18 |
0 |
|
|
70860 |
48413966 |
1 |
SN4O4C16H20 |
AB4C4D16E20 |
-97.53 |
5.52 |
-9.51 |
-1.08 |
0 |
|
|
70861 |
48413967 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-40.3 |
6.46 |
-9.06 |
-0.83 |
0 |
|
|
70862 |
48413968 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-118.25 |
6.83 |
-9.39 |
-0.73 |
0 |
|
|
70863 |
48413970 |
1 |
ClSO3N4C19H19 |
ABC3D4E19F19 |
-44.93 |
7.49 |
-8.87 |
-1.06 |
0 |
|
|
70864 |
48413971 |
1 |
FN3O3H16C17 |
AB3C3D16E17 |
-72.65 |
2.91 |
-9.21 |
-0.6 |
0 |
|
|
70865 |
48413974 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-82.79 |
9.39 |
-9.52 |
-0.62 |
0 |
|
|
70866 |
48413975 |
1 |
FOSN5H16C18 |
ABCD5E16F18 |
30.82 |
1.42 |
-8.81 |
-1.08 |
0 |
|
|
70867 |
48413976 |
1 |
OSN5H17C19 |
ABC5D17E19 |
91.47 |
7.22 |
-8.8 |
-0.83 |
0 |
|
|
70868 |
48413978 |
1 |
SO4N5C19H23 |
AB4C5D19E23 |
-108.25 |
3.96 |
-9.64 |
-1.38 |
0 |
|
|
70869 |
48413979 |
1 |
ON3C19H19 |
AB3C19D19 |
33.27 |
2.24 |
-9.49 |
0.0 |
0 |
|
|
70870 |
48413980 |
1 |
O2N3H17C18 |
A2B3C17D18 |
6.15 |
5.64 |
-9.29 |
-0.47 |
0 |
|
|
70871 |
48413981 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-61.07 |
4.94 |
-8.55 |
0.42 |
0 |
|
|
70872 |
48413982 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-78.51 |
6.08 |
-8.29 |
0.28 |
0 |
|
|
70873 |
48413984 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-144.35 |
1.32 |
-9.3 |
-0.78 |
0 |
|
|
70874 |
48413985 |
1 |
ClO2N3H18C19 |
AB2C3D18E19 |
-9.95 |
6.51 |
-9.28 |
-0.76 |
0 |
|
|
70875 |
48413986 |
1 |
ClO2N3H18C19 |
AB2C3D18E19 |
-8.21 |
9.11 |
-9.21 |
-0.72 |
0 |
|
|
70876 |
48413987 |
1 |
FO2N3H18C19 |
AB2C3D18E19 |
-50.21 |
4.17 |
-9.24 |
-0.58 |
0 |
|
|
70877 |
48413988 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-43.01 |
1.8 |
-9.06 |
-0.47 |
0 |
|
|
70878 |
48413989 |
1 |
O2N5H21C22 |
A2B5C21D22 |
44.63 |
4.84 |
-8.73 |
-0.8 |
0 |
|
|
70879 |
48413991 |
1 |
ClSO3N4C17H21 |
ABC3D4E17F21 |
-80.03 |
3.94 |
-9.47 |
-1.24 |
0 |
|
|
70880 |
48413992 |
1 |
O3N4C19H20 |
A3B4C19D20 |
-39.09 |
4.73 |
-9.42 |
-0.68 |
0 |
|
|
70881 |
48413993 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-1.73 |
2.04 |
-9.34 |
-0.78 |
0 |
|
|
70882 |
48413994 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-113.11 |
7.11 |
-8.61 |
0.27 |
0 |
|
|
70883 |
48413995 |
1 |
BrO2N3C12H12 |
AB2C3D12E12 |
-33.87 |
4.61 |
-9.22 |
-0.81 |
0 |
|
|
70884 |
48413997 |
1 |
OSN4H16C19 |
ABC4D16E19 |
72.25 |
5.74 |
-9.09 |
-1.17 |
0 |
|
|
70885 |
48413998 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-77.44 |
3.02 |
-9.51 |
-0.93 |
0 |
|
|
70886 |
48413999 |
1 |
O2N4H18C19 |
A2B4C18D19 |
-3.3 |
5.93 |
-8.89 |
-0.68 |
0 |
|
|
70887 |
48414000 |
1 |
O3N5C14H21 |
A3B5C14D21 |
-113.29 |
8.0 |
-9.54 |
-0.1 |
0 |
|
|
70888 |
48414001 |
1 |
FSO3N4C20H21 |
ABC3D4E20F21 |
-88.72 |
3.6 |
-9.33 |
-0.95 |
0 |
|
|
70889 |
48414002 |
2 |
ON2C10H12 |
AB2C10D12 |
-24.79 |
5.68 |
-9.25 |
-0.38 |
0 |
|
|
70890 |
48414004 |
1 |
OSN7C15H19 |
ABC7D15E19 |
56.17 |
4.04 |
-8.74 |
-1.02 |
0 |
|
|
70891 |
48414006 |
2 |
ON3C9H10 |
AB3C9D10 |
4.23 |
5.42 |
-9.55 |
-0.78 |
0 |
|
|
70892 |
48414007 |
1 |
O2N5C16H17 |
A2B5C16D17 |
-5.15 |
5.11 |
-9.25 |
-1.05 |
0 |
|
|
70893 |
48414008 |
1 |
ON6C14H14 |
AB6C14D14 |
72.49 |
0.51 |
-9.53 |
-1.18 |
0 |
|
|
70894 |
48414011 |
1 |
O2N4H18C19 |
A2B4C18D19 |
-3.79 |
5.48 |
-9.18 |
-0.63 |
0 |
|
|
70895 |
48414012 |
1 |
ON6C18H22 |
AB6C18D22 |
20.07 |
6.04 |
-9.13 |
-0.72 |
0 |
|
|
70896 |
48414013 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-77.35 |
8.81 |
-8.43 |
-0.04 |
0 |
|
|
70897 |
48414015 |
1 |
ClOF3N5H13C16 |
ABC3D5E13F16 |
-102.02 |
4.76 |
-9.7 |
-1.1 |
0 |
|
|
70898 |
48414016 |
1 |
ON5F6H13C17 |
AB5C6D13E17 |
-256.04 |
2.03 |
-9.58 |
-1.38 |
0 |
|
|
70899 |
48414017 |
1 |
O2F3N7H14C15 |
A2B3C7D14E15 |
-100.71 |
4.76 |
-9.45 |
-1.49 |
0 |
|
|
70900 |
48414020 |
1 |
SO3N4C15H20 |
AB3C4D15E20 |
-81.56 |
4.33 |
-9.13 |
-0.35 |
0 |
|
|
70901 |
48414021 |
1 |
OF3N5H16C17 |
AB3C5D16E17 |
-110.36 |
5.65 |
-9.66 |
-1.11 |
0 |
|
|
70902 |
48414022 |
1 |
OF3N5H16C17 |
AB3C5D16E17 |
-106.05 |
4.53 |
-9.47 |
-0.79 |
0 |
|
|
70903 |
48414024 |
1 |
F2N3O3C14H15 |
A2B3C3D14E15 |
-171.29 |
2.55 |
-9.41 |
-0.6 |
0 |
|
|
70904 |
48414025 |
1 |
O2N3C19H19 |
A2B3C19D19 |
0.65 |
6.83 |
-9.19 |
-0.17 |
0 |
|
|
70905 |
48414026 |
1 |
SO3N4C21H30 |
AB3C4D21E30 |
-108.01 |
5.58 |
-8.93 |
-0.22 |
0 |
|
|
70906 |
48414027 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-101.3 |
7.16 |
-9.26 |
-0.94 |
0 |
|
|
70907 |
48414028 |
1 |
SO3N4C16H22 |
AB3C4D16E22 |
-87.99 |
6.03 |
-9.6 |
-0.42 |
0 |
|
|
70908 |
48414031 |
1 |
ClSO2N4C17H21 |
ABC2D4E17F21 |
-47.81 |
4.92 |
-8.85 |
-0.61 |
0 |
|
|
70909 |
48414033 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-78.95 |
5.86 |
-9.36 |
-0.46 |
0 |
|
|
70910 |
48414034 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-61.27 |
5.99 |
-9.36 |
0.03 |
0 |
|
|
70911 |
48414036 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-45.11 |
2.9 |
-8.86 |
0.23 |
0 |
|
|
70912 |
48414038 |
1 |
N3O3H19C22 |
A3B3C19D22 |
-25.86 |
2.39 |
-9.51 |
-1.04 |
0 |
|
|
70913 |
48414039 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-72.09 |
1.39 |
-9.66 |
-1.69 |
0 |
|
|
70914 |
48414040 |
1 |
O2N3C19H19 |
A2B3C19D19 |
2.01 |
6.79 |
-9.1 |
-0.27 |
0 |
|
|
70915 |
48414041 |
1 |
O3N5C15H15 |
A3B5C15D15 |
-42.46 |
2.26 |
-9.32 |
-1.4 |
0 |
|
|
70916 |
48414042 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-21.76 |
3.29 |
-9.26 |
-0.35 |
0 |
|
|
70917 |
48414045 |
1 |
ON5H19C20 |
AB5C19D20 |
57.5 |
5.88 |
-9.12 |
-0.6 |
0 |
|
|
70918 |
48414046 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-87.02 |
4.33 |
-9.29 |
-0.49 |
0 |
|
|
70919 |
48414047 |
1 |
OSN4C16H16 |
ABC4D16E16 |
42.3 |
5.22 |
-9.28 |
-0.9 |
0 |
|
|
70920 |
48414048 |
1 |
O3N5C16H19 |
A3B5C16D19 |
-90.89 |
4.75 |
-8.94 |
-0.32 |
0 |
|
|
70921 |
48414049 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
4.77 |
4.68 |
-8.72 |
-1.17 |
0 |
|
|
70922 |
48414052 |
1 |
SN4O4C16H22 |
AB4C4D16E22 |
-120.55 |
7.14 |
-9.5 |
-0.32 |
0 |
|
|
70923 |
48414053 |
1 |
BrN3O3C15H18 |
AB3C3D15E18 |
-63.97 |
3.75 |
-8.76 |
-0.5 |
0 |
|
|
70924 |
48414054 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-67.69 |
6.12 |
-8.83 |
-0.09 |
0 |
|
|
70925 |
48414056 |
1 |
SO3N4C18H24 |
AB3C4D18E24 |
-78.88 |
4.02 |
-8.59 |
-0.42 |
0 |
|
|
70926 |
48414057 |
2 |
ON2C9H12 |
AB2C9D12 |
-59.26 |
3.87 |
-9.34 |
-0.37 |
0 |
|
|
70927 |
48414058 |
1 |
ClO4N5C17H20 |
AB4C5D17E20 |
-59.1 |
4.52 |
-9.48 |
-2.06 |
0 |
|
|
70928 |
48414059 |
1 |
SN4O4C17H24 |
AB4C4D17E24 |
-121.92 |
7.02 |
-9.31 |
-0.61 |
0 |
|
|
70929 |
48414060 |
1 |
FSO3N4C16H21 |
ABC3D4E16F21 |
-128.31 |
4.55 |
-9.36 |
-0.93 |
0 |
|
|
70930 |
48414061 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-75.31 |
1.4 |
-8.33 |
0.16 |
0 |
|
|
70931 |
48414062 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-18.91 |
0.84 |
-9.3 |
-0.97 |
0 |
|
|
70932 |
48414063 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-104.83 |
3.54 |
-8.51 |
-0.19 |
0 |
|
|
70933 |
48414064 |
1 |
S2O3N5H15C16 |
A2B3C5D15E16 |
50.38 |
9.16 |
-8.86 |
-1.66 |
0 |
|
|
70934 |
48414065 |
1 |
SO4N5C16H21 |
AB4C5D16E21 |
-114.74 |
6.8 |
-9.44 |
-0.84 |
0 |
|
|
70935 |
48414066 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-54.62 |
5.09 |
-8.77 |
-0.31 |
0 |
|
|
70936 |
48414067 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-62.31 |
5.54 |
-9.05 |
-0.64 |
0 |
|
|
70937 |
48414068 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-37.44 |
5.93 |
-9.01 |
-0.32 |
0 |
|
|
70938 |
48414069 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-80.42 |
2.9 |
-8.5 |
-0.16 |
0 |
|
|
70939 |
48414070 |
1 |
BrSO3N4C14H17 |
ABC3D4E14F17 |
-65.6 |
3.47 |
-9.6 |
-0.94 |
0 |
|
|
70940 |
48414071 |
1 |
ClON5C17H18 |
ABC5D17E18 |
41.99 |
5.39 |
-9.43 |
-0.25 |
0 |
|
|
70941 |
48414072 |
1 |
ClON5C16H16 |
ABC5D16E16 |
48.23 |
5.64 |
-9.37 |
-0.75 |
0 |
|
|
70942 |
48414073 |
1 |
SO3N4C19H26 |
AB3C4D19E26 |
-80.87 |
2.06 |
-9.41 |
-0.75 |
0 |
|
|
70943 |
48414074 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-64.43 |
4.18 |
-9.57 |
-0.91 |
0 |
|
|
70944 |
48414075 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-84.23 |
5.71 |
-9.41 |
-0.52 |
0 |
|
|
70945 |
48414081 |
1 |
F2O2N4C17H20 |
A2B2C4D17E20 |
-142.38 |
4.9 |
-9.29 |
-0.93 |
0 |
|
|
70946 |
48414082 |
1 |
ClN3O3C20H20 |
AB3C3D20E20 |
-41.68 |
4.22 |
-8.63 |
-0.46 |
0 |
|
|
70947 |
48414083 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-80.32 |
5.57 |
-8.61 |
-0.26 |
0 |
|
|
70948 |
48414084 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-57.8 |
5.23 |
-8.85 |
-0.02 |
0 |
|
|
70949 |
48414087 |
1 |
SO3N4C16H20 |
AB3C4D16E20 |
-69.51 |
3.8 |
-9.53 |
-0.81 |
0 |
|
|
70950 |
48414089 |
1 |
O2N3H17C18 |
A2B3C17D18 |
5.08 |
0.95 |
-9.19 |
-0.64 |
0 |
|
|
70951 |
48414091 |
1 |
ClSO3N4C17H21 |
ABC3D4E17F21 |
-75.3 |
3.61 |
-9.46 |
-1.11 |
0 |