List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
255850 |
103135197 |
1 |
O4C15H22 |
A4B15C22 |
-171.3 |
5.18 |
-8.56 |
0.41 |
0 |
|
|
255851 |
103135203 |
1 |
FO3C13H17 |
AB3C13D17 |
-164.53 |
1.23 |
-9.72 |
-0.41 |
0 |
|
|
255852 |
103135206 |
1 |
O3C15H22 |
A3B15C22 |
-137.71 |
3.82 |
-8.7 |
0.25 |
0 |
|
|
255853 |
103135207 |
1 |
N5C16H21 |
A5B16C21 |
80.69 |
6.15 |
-8.73 |
0.01 |
0 |
|
|
255854 |
103135210 |
1 |
N4C15H22 |
A4B15C22 |
54.52 |
5.61 |
-8.93 |
0.11 |
0 |
|
|
255855 |
103135214 |
1 |
ClN4C13H17 |
AB4C13D17 |
58.06 |
4.78 |
-9.21 |
-0.22 |
0 |
|
|
255856 |
103135219 |
1 |
N5C13H15 |
A5B13C15 |
109.22 |
2.35 |
-8.57 |
-0.47 |
0 |
|
|
255857 |
103135224 |
1 |
NO5C14H19 |
AB5C14D19 |
-137.33 |
7.89 |
-9.79 |
-1.22 |
0 |
|
|
255858 |
103135237 |
1 |
N3C15H29 |
A3B15C29 |
-4.59 |
1.98 |
-8.69 |
0.97 |
0 |
|
|
255859 |
103135239 |
1 |
SO2N3C11H21 |
AB2C3D11E21 |
-57.1 |
3.13 |
-8.98 |
1.06 |
0 |
|
|
255860 |
103135240 |
1 |
NO3C15H17 |
AB3C15D17 |
-103.69 |
7.4 |
-8.98 |
-0.61 |
0 |
|
|
255861 |
103135241 |
1 |
F2N3C15H19 |
A2B3C15D19 |
-45.62 |
3.57 |
-9.07 |
-0.1 |
0 |
|
|
255862 |
103135247 |
1 |
NO4C12H15 |
AB4C12D15 |
-161.63 |
5.07 |
-9.76 |
-1.1 |
0 |
|
|
255863 |
103135250 |
1 |
N2O4C11H16 |
A2B4C11D16 |
-159.21 |
2.41 |
-9.69 |
-1.12 |
0 |
|
|
255864 |
103135252 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-126.66 |
2.07 |
-9.55 |
-1.39 |
0 |
|
|
255865 |
103135254 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-100.06 |
7.31 |
-10.15 |
-0.48 |
0 |
|
|
255866 |
103135262 |
1 |
N3C12H23 |
A3B12C23 |
4.9 |
4.27 |
-9.1 |
0.7 |
0 |
|
|
255867 |
103135273 |
1 |
N3C14H25 |
A3B14C25 |
7.44 |
4.11 |
-9.02 |
0.77 |
0 |
|
|
255868 |
103135284 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-122.5 |
3.19 |
-9.5 |
-0.38 |
0 |
|
|
255869 |
103135292 |
1 |
BrNO3C11H14 |
ABC3D11E14 |
-121.82 |
7.88 |
-9.63 |
-0.5 |
0 |
|
|
255870 |
103135309 |
1 |
N3C11H21 |
A3B11C21 |
21.04 |
2.19 |
-8.66 |
1.02 |
0 |
|
|
255871 |
103135317 |
1 |
N3C17H31 |
A3B17C31 |
-3.38 |
1.94 |
-8.54 |
0.97 |
0 |
|
|
255872 |
103135321 |
1 |
ClO3C15H21 |
AB3C15D21 |
-130.31 |
1.38 |
-8.41 |
-0.07 |
0 |
|
|
255873 |
103135324 |
1 |
Cl2O3C14H18 |
A2B3C14D18 |
-132.38 |
2.27 |
-8.61 |
-0.32 |
0 |
|
|
255874 |
103135331 |
1 |
N3C14H27 |
A3B14C27 |
0.98 |
3.07 |
-8.7 |
0.82 |
0 |
|
|
255875 |
103135341 |
1 |
ON3C12H21 |
AB3C12D21 |
-24.66 |
4.9 |
-8.87 |
0.76 |
0 |
|
|
255876 |
103135343 |
1 |
S2N3C14H19 |
A2B3C14D19 |
56.99 |
2.65 |
-8.59 |
-0.02 |
0 |
|
|
255877 |
103135345 |
1 |
BrClO2C13H16 |
ABC2D13E16 |
-88.14 |
3.05 |
-8.98 |
-0.76 |
0 |
|
|
255878 |
103135361 |
1 |
ClNO4C13H16 |
ABC4D13E16 |
-94.75 |
9.15 |
-9.85 |
-1.26 |
0 |
|
|
255879 |
103135364 |
1 |
ClO2C17H19 |
AB2C17D19 |
-70.53 |
2.67 |
-8.97 |
-0.8 |
0 |
|
|
255880 |
103135371 |
5 |
NC2H3 |
AB2C3 |
74.36 |
6.27 |
-8.88 |
0.4 |
0 |
|
|
255881 |
103135372 |
1 |
BrO4C15H21 |
AB4C15D21 |
-151.93 |
2.64 |
-8.57 |
-0.58 |
0 |
|
|
255882 |
103135373 |
1 |
N4C11H14 |
A4B11C14 |
66.24 |
6.03 |
-9.36 |
0.12 |
0 |
|
|
255883 |
103135380 |
1 |
N5C11H15 |
A5B11C15 |
79.4 |
2.28 |
-9.0 |
-0.35 |
0 |
|
|
255884 |
103135381 |
1 |
N5C14H17 |
A5B14C17 |
102.37 |
3.52 |
-8.41 |
-0.03 |
0 |
|
|
255885 |
103135384 |
1 |
BrClO2C13H16 |
ABC2D13E16 |
-83.34 |
2.11 |
-9.69 |
-0.61 |
0 |
|
|
255886 |
103135388 |
1 |
BrClO2C13H16 |
ABC2D13E16 |
-85.79 |
2.51 |
-9.11 |
-0.78 |
0 |
|
|
255887 |
103135389 |
1 |
ON3C11H21 |
AB3C11D21 |
-16.82 |
0.76 |
-8.78 |
0.93 |
0 |
|
|
255888 |
103135398 |
1 |
ClO2C14H19 |
AB2C14D19 |
-97.4 |
1.37 |
-8.73 |
-0.06 |
0 |
|
|
255889 |
103135432 |
1 |
N5C14H23 |
A5B14C23 |
60.92 |
4.67 |
-8.88 |
0.68 |
0 |
|
|
255890 |
103135433 |
1 |
BrFO2C13H16 |
ABC2D13E16 |
-128.83 |
2.8 |
-9.31 |
-0.81 |
0 |
|
|
255891 |
103135436 |
1 |
N5C13H21 |
A5B13C21 |
65.9 |
2.23 |
-8.76 |
0.94 |
0 |
|
|
255892 |
103135437 |
1 |
ClFN3C14H17 |
ABC3D14E17 |
4.26 |
1.72 |
-8.85 |
-0.25 |
0 |
|
|
255893 |
103135456 |
1 |
Cl2N3C11H11 |
A2B3C11D11 |
48.09 |
3.75 |
-9.37 |
-0.44 |
0 |
|
|
255894 |
103135468 |
1 |
F2O4C15H16 |
A2B4C15D16 |
-230.68 |
5.75 |
-9.55 |
-1.34 |
0 |
|
|
255895 |
103135471 |
1 |
SN3C12H15 |
AB3C12D15 |
65.39 |
2.82 |
-8.28 |
0.12 |
0 |
|
|
255896 |
103135473 |
1 |
N3C18H29 |
A3B18C29 |
-11.17 |
4.39 |
-9.16 |
0.7 |
0 |
|
|
255897 |
103135474 |
1 |
FO4C15H17 |
AB4C15D17 |
-191.6 |
6.56 |
-9.76 |
-0.69 |
0 |
|
|
255898 |
103135489 |
1 |
N3C15H19 |
A3B15C19 |
56.34 |
2.61 |
-8.62 |
0.68 |
0 |
|
|
255899 |
103135490 |
1 |
BrFSO5C13H14 |
ABCD5E13F14 |
-240.02 |
4.23 |
-10.13 |
-1.71 |
0 |