List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
311011 |
126588803 |
1 |
BrNO3C21H24 |
ABC3D21E24 |
-88.92 |
5.24 |
-8.48 |
-0.21 |
0 |
|
|
311012 |
126588807 |
1 |
FNSO3C18H20 |
ABCD3E18F20 |
-119.7 |
5.47 |
-8.65 |
-0.4 |
0 |
|
|
311013 |
126588808 |
1 |
ClFNSO2C17H17 |
ABCDE2F17G17 |
-82.08 |
1.9 |
-8.75 |
-0.66 |
0 |
|
|
311014 |
126588814 |
1 |
NSO2F4H17C18 |
ABC2D4E17F18 |
-232.8 |
5.56 |
-9.03 |
-0.8 |
0 |
|
|
311015 |
126588817 |
1 |
NO3C23H31 |
AB3C23D31 |
-117.64 |
3.14 |
-8.28 |
0.05 |
0 |
|
|
311016 |
126588818 |
1 |
NSO2F3C19H20 |
ABC2D3E19F20 |
-198.11 |
3.58 |
-9.02 |
-0.87 |
0 |
|
|
311017 |
126588819 |
1 |
NO2F3C22H26 |
AB2C3D22E26 |
-229.12 |
2.91 |
-8.6 |
-0.85 |
0 |
|
|
311018 |
126588826 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-97.32 |
6.46 |
-8.31 |
-0.18 |
0 |
|
|
311019 |
126588828 |
1 |
BrNF3O3C19H19 |
ABC3D3E19F19 |
-259.46 |
4.04 |
-9.23 |
-0.77 |
0 |
|
|
311020 |
126588831 |
1 |
NSF2O2C17H17 |
ABC2D2E17F17 |
-121.1 |
2.19 |
-8.8 |
-0.66 |
0 |
|
|
311021 |
126588832 |
1 |
FNSO2C17H18 |
ABCD2E17F18 |
-78.59 |
4.5 |
-8.77 |
-0.46 |
0 |
|
|
311022 |
126588834 |
1 |
FINSO2C17H17 |
ABCDE2F17G17 |
-61.21 |
4.28 |
-8.86 |
-1.11 |
0 |
|
|
311023 |
126588835 |
1 |
BrFNSO2C17H17 |
ABCDE2F17G17 |
-72.49 |
1.7 |
-9.07 |
-0.78 |
0 |
|
|
311024 |
126588836 |
1 |
FNSO2C19H22 |
ABCD2E19F22 |
-90.79 |
5.13 |
-8.71 |
-0.43 |
0 |
|
|
311025 |
126588843 |
2 |
NO2C10H13 |
AB2C10D13 |
-109.99 |
3.73 |
-8.31 |
-0.16 |
0 |
|
|
311026 |
126588845 |
1 |
ClNSF2O2C19H20 |
ABCD2E2F19G20 |
-160.62 |
3.49 |
-9.02 |
-0.86 |
0 |
|
|
311027 |
126588852 |
1 |
FNSO2C19H22 |
ABCD2E19F22 |
-110.21 |
3.97 |
-8.21 |
-0.64 |
0 |
|
|
311028 |
126588854 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-75.5 |
3.1 |
-8.51 |
-0.15 |
0 |
|
|
311029 |
126588855 |
1 |
INSO2C19H22 |
ABCD2E19F22 |
-40.23 |
2.34 |
-8.2 |
-0.78 |
0 |
|
|
311030 |
126588857 |
1 |
NSF2O2C20H23 |
ABC2D2E20F23 |
-168.77 |
3.99 |
-8.57 |
-0.61 |
0 |
|
|
311031 |
126588858 |
1 |
BrFNSO2C18H19 |
ABCDE2F18G19 |
-86.24 |
3.33 |
-8.34 |
-0.89 |
0 |
|
|
311032 |
126588867 |
1 |
FNSO2C20H24 |
ABCD2E20F24 |
-100.38 |
5.42 |
-8.68 |
-0.46 |
0 |
|
|
311033 |
126588868 |
1 |
NF2O2C22H25 |
AB2C2D22E25 |
-152.94 |
5.42 |
-8.91 |
-0.39 |
0 |
|
|
311034 |
126588870 |
1 |
FNSO3C19H22 |
ABCD3E19F22 |
-133.42 |
6.45 |
-8.74 |
-0.64 |
0 |
|
|
311035 |
126588883 |
1 |
NSO3C21H27 |
ABC3D21E27 |
-99.3 |
2.19 |
-8.78 |
-0.42 |
0 |
|
|
311036 |
126588899 |
1 |
NO2F3C22H24 |
AB2C3D22E24 |
-209.89 |
6.16 |
-8.86 |
-0.64 |
0 |
|
|
311037 |
126588903 |
1 |
INSO2C20H24 |
ABCD2E20F24 |
-45.56 |
2.42 |
-8.42 |
-1.12 |
0 |
|
|
311038 |
126588907 |
1 |
ClNO2F3C19H19 |
ABC2D3E19F19 |
-229.92 |
4.02 |
-9.12 |
-0.55 |
0 |
|
|
311039 |
126588913 |
1 |
ClNO2C21H26 |
ABC2D21E26 |
-86.95 |
4.67 |
-8.86 |
-0.34 |
0 |
|
|
311040 |
126588914 |
1 |
NSO2C20H25 |
ABC2D20E25 |
-60.04 |
2.94 |
-8.42 |
-0.27 |
0 |
|
|
311041 |
126588922 |
1 |
FNO4C19H22 |
ABC4D19E22 |
-146.41 |
1.5 |
-8.74 |
-0.54 |
0 |
|
|
311042 |
126588923 |
1 |
FNO5C18H20 |
ABC5D18E20 |
-175.17 |
2.95 |
-8.72 |
-0.48 |
0 |
|
|
311043 |
126588924 |
1 |
NSO3C22H29 |
ABC3D22E29 |
-109.01 |
4.63 |
-8.31 |
-0.2 |
0 |
|
|
311044 |
126588925 |
1 |
O3C19H22 |
A3B19C22 |
-104.94 |
1.08 |
-8.5 |
-0.02 |
0 |
|
|
311045 |
126588927 |
1 |
FNO4C20H22 |
ABC4D20E22 |
-122.61 |
3.74 |
-9.12 |
-0.42 |
0 |
|
|
311046 |
126588928 |
1 |
O3C21H26 |
A3B21C26 |
-118.05 |
0.8 |
-8.45 |
0.03 |
0 |
|
|
311047 |
126588929 |
1 |
NSO2C22H29 |
ABC2D22E29 |
-71.99 |
2.41 |
-8.46 |
-0.08 |
0 |
|
|
311048 |
126588933 |
1 |
NO3C23H31 |
AB3C23D31 |
-116.22 |
2.59 |
-8.48 |
-0.21 |
0 |
|
|
311049 |
126588934 |
1 |
NSO2F3C21H24 |
ABC2D3E21F24 |
-222.1 |
3.1 |
-8.57 |
-0.79 |
0 |
|
|
311050 |
126588937 |
1 |
O4C21H26 |
A4B21C26 |
-151.88 |
2.98 |
-8.69 |
-0.03 |
0 |
|
|
311051 |
126588963 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-99.46 |
5.75 |
-8.6 |
-0.3 |
0 |
|
|
311052 |
126588964 |
1 |
NOSC23H29 |
ABCD23E29 |
-5.59 |
6.57 |
-8.29 |
-0.38 |
0 |
|
|
311053 |
126588969 |
1 |
ClNOSC20H24 |
ABCDE20F24 |
-23.75 |
5.87 |
-8.31 |
-0.61 |
0 |
|
|
311054 |
126588970 |
1 |
FINO2C18H19 |
ABCD2E18F19 |
-81.41 |
4.67 |
-9.18 |
-0.98 |
0 |
|
|
311055 |
126588971 |
1 |
FNO2C21H26 |
ABC2D21E26 |
-122.86 |
3.67 |
-8.48 |
-0.32 |
0 |
|
|
311056 |
126589002 |
1 |
NF2O2C18H19 |
AB2C2D18E19 |
-146.96 |
4.94 |
-9.44 |
-0.56 |
0 |
|
|
311057 |
126589003 |
1 |
FNO3C19H22 |
ABC3D19E22 |
-135.43 |
3.65 |
-8.91 |
-0.38 |
0 |
|
|
311058 |
126589008 |
1 |
ClNSO2C18H20 |
ABCD2E18F20 |
-48.06 |
3.15 |
-8.6 |
-0.67 |
0 |
|
|
311059 |
126589013 |
1 |
NSO2C19H23 |
ABC2D19E23 |
-48.93 |
1.75 |
-8.44 |
-0.21 |
0 |
|
|
311060 |
126589021 |
1 |
IN2O2C20H25 |
AB2C2D20E25 |
-41.11 |
3.05 |
-8.37 |
-1.11 |
0 |