List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373892 |
131321078 |
1 |
ClNSO2C11H12 |
ABCD2E11F12 |
-71.39 |
4.84 |
-8.76 |
-0.43 |
0 |
|
|
373893 |
131321082 |
1 |
ClNSO2C11H12 |
ABCD2E11F12 |
-73.02 |
4.08 |
-8.53 |
-0.21 |
0 |
|
|
373894 |
131321091 |
1 |
ClFSN3H9C10 |
ABCD3E9F10 |
13.45 |
4.66 |
-9.43 |
-1.06 |
0 |
|
|
373895 |
131321092 |
1 |
ClNO2S2H4C9 |
ABC2D2E4F9 |
-8.73 |
3.53 |
-9.77 |
-2.21 |
0 |
|
|
373896 |
131321093 |
1 |
ClFSN3H9C10 |
ABCD3E9F10 |
12.25 |
2.29 |
-9.49 |
-0.86 |
0 |
|
|
373897 |
131321094 |
1 |
ClNSO3H8C10 |
ABCD3E8F10 |
-73.8 |
2.71 |
-8.9 |
-0.57 |
0 |
|
|
373898 |
131321098 |
1 |
NOSH9C12 |
ABCD9E12 |
32.08 |
4.05 |
-9.25 |
-1.49 |
0 |
|
|
373899 |
131321103 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-140.54 |
5.23 |
-8.93 |
-1.2 |
0 |
|
|
373900 |
131321109 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-139.93 |
7.23 |
-9.35 |
-1.01 |
0 |
|
|
373901 |
131321120 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-139.86 |
4.62 |
-9.27 |
-1.1 |
0 |
|
|
373902 |
131321121 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-136.7 |
4.38 |
-8.96 |
-1.21 |
0 |
|
|
373903 |
131321133 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-140.38 |
2.5 |
-8.62 |
-0.99 |
0 |
|
|
373904 |
131321146 |
2 |
OSC6H6 |
ABC6D6 |
-62.68 |
5.84 |
-8.8 |
-0.88 |
0 |
|
|
373905 |
131321176 |
1 |
SN2O3H4C9 |
AB2C3D4E9 |
26.86 |
2.8 |
-9.39 |
-2.3 |
0 |
|
|
373906 |
131321178 |
1 |
SN2O3H4C9 |
AB2C3D4E9 |
27.09 |
2.55 |
-9.42 |
-2.36 |
0 |
|
|
373907 |
131321191 |
1 |
FSO2H11C12 |
ABC2D11E12 |
-107.99 |
4.66 |
-8.85 |
-1.03 |
0 |
|
|
373908 |
131321217 |
1 |
FNSC11H14 |
ABCD11E14 |
-43.45 |
2.54 |
-8.65 |
-0.21 |
0 |
|
|
373909 |
131321226 |
1 |
NSO2C10H13 |
ABC2D10E13 |
-66.56 |
2.32 |
-8.96 |
-0.19 |
0 |
|
|
373910 |
131321229 |
1 |
NO4C11H13 |
AB4C11D13 |
-149.06 |
0.73 |
-9.03 |
-0.76 |
0 |
|
|
373911 |
131321237 |
2 |
NOC6H7 |
ABC6D7 |
-47.76 |
5.75 |
-9.27 |
-0.99 |
0 |
|
|
373912 |
131321242 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-47.06 |
4.26 |
-8.35 |
-0.85 |
0 |
|
|
373913 |
131321250 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-42.5 |
1.64 |
-8.14 |
-0.95 |
0 |
|
|
373914 |
131321261 |
1 |
N2O2F3C9H9 |
A2B2C3D9E9 |
-192.95 |
8.0 |
-10.89 |
-0.56 |
0 |
|
|
373915 |
131321269 |
1 |
O2S2N3H5C9 |
A2B2C3D5E9 |
33.44 |
11.03 |
-9.12 |
-2.06 |
0 |
|
|
373916 |
131321272 |
1 |
BrNOH10C11 |
ABCD10E11 |
22.5 |
6.27 |
-9.18 |
-1.42 |
0 |
|
|
373917 |
131321273 |
1 |
BrNOF2C11H14 |
ABCD2E11F14 |
-128.9 |
0.73 |
-9.52 |
-0.83 |
0 |
|
|
373918 |
131321274 |
1 |
BrN2C13H17 |
AB2C13D17 |
17.78 |
4.54 |
-8.75 |
-0.42 |
0 |
|
|
373919 |
131321289 |
1 |
BrClN2O2F3H3C7 |
ABC2D2E3F3G7 |
-210.63 |
1.5 |
-10.27 |
-1.76 |
0 |
|
|
373920 |
131321302 |
1 |
ClN2C13H13 |
AB2C13D13 |
30.37 |
4.22 |
-9.06 |
-0.17 |
0 |
|
|
373921 |
131321303 |
1 |
ClN2C13H13 |
AB2C13D13 |
28.6 |
4.43 |
-9.03 |
-0.11 |
0 |
|
|
373922 |
131321307 |
2 |
NC5H9 |
AB5C9 |
-3.69 |
3.46 |
-8.14 |
1.47 |
0 |
|
|
373923 |
131321329 |
1 |
SN2O3C10H10 |
AB2C3D10E10 |
-50.44 |
4.15 |
-8.78 |
-0.44 |
0 |
|
|
373924 |
131321343 |
1 |
BrClOSH10C11 |
ABCDE10F11 |
-16.63 |
1.63 |
-8.75 |
-1.16 |
0 |
|
|
373925 |
131321358 |
1 |
N5C7H11 |
A5B7C11 |
76.12 |
1.73 |
-9.55 |
0.29 |
0 |
|
|
373926 |
131321359 |
1 |
N5C7H11 |
A5B7C11 |
71.91 |
2.79 |
-9.96 |
0.23 |
0 |
|
|
373927 |
131321366 |
1 |
BrClSO2H6C10 |
ABCD2E6F10 |
-50.3 |
5.01 |
-9.32 |
-1.61 |
0 |
|
|
373928 |
131321370 |
1 |
BrClSO2H6C10 |
ABCD2E6F10 |
-52.93 |
4.91 |
-9.46 |
-1.55 |
0 |
|
|
373929 |
131321407 |
1 |
NOS2H9C10 |
ABC2D9E10 |
23.65 |
4.03 |
-9.06 |
-1.52 |
0 |
|
|
373930 |
131321419 |
1 |
BrOSF3H6C10 |
ABCD3E6F10 |
-157.28 |
0.84 |
-9.19 |
-1.16 |
0 |
|
|
373931 |
131321420 |
1 |
BrOSF3H6C10 |
ABCD3E6F10 |
-154.54 |
1.37 |
-8.89 |
-1.12 |
0 |
|
|
373932 |
131321422 |
1 |
BrOSF3H6C10 |
ABCD3E6F10 |
-154.93 |
2.49 |
-9.2 |
-1.09 |
0 |
|
|
373933 |
131321444 |
1 |
BrF2O3C10H11 |
AB2C3D10E11 |
-203.46 |
3.4 |
-8.83 |
-0.75 |
0 |
|
|
373934 |
131321452 |
1 |
ClF2O3C10H11 |
AB2C3D10E11 |
-222.11 |
1.39 |
-9.29 |
-0.25 |
0 |
|
|
373935 |
131321457 |
1 |
ClF2O3C10H11 |
AB2C3D10E11 |
-210.94 |
4.45 |
-8.96 |
-0.41 |
0 |
|
|
373936 |
131321506 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-91.53 |
4.84 |
-9.21 |
-1.12 |
0 |
|
|
373937 |
131321508 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-92.13 |
4.55 |
-9.21 |
-1.04 |
0 |
|
|
373938 |
131321520 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-85.88 |
5.04 |
-9.12 |
-1.23 |
0 |
|
|
373939 |
131321532 |
1 |
NSO2H11C12 |
ABC2D11E12 |
-46.77 |
2.31 |
-8.25 |
-0.97 |
0 |
|
|
373940 |
131321539 |
1 |
ClFNSO2H5C10 |
ABCDE2F5G10 |
-66.81 |
0.95 |
-10.06 |
-1.89 |
0 |
|
|
373941 |
131321557 |
1 |
BrClO2C11H12 |
ABC2D11E12 |
-76.79 |
5.77 |
-9.36 |
-0.64 |
0 |