List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
48776 |
11528319 |
1 |
O17N29C83H161 |
A17B29C83D161 |
-765.8 |
13.88 |
-7.8 |
-0.05 |
0 |
|
|
48778 |
11528321 |
1 |
P2N5O34C94H163 |
A2B5C34D94E163 |
-1863.0 |
18.61 |
-8.82 |
-1.08 |
0 |
|
|
48781 |
11528324 |
1 |
NaPO44C96H174 |
ABC44D96E174 |
-2227.95 |
107.76 |
-8.67 |
-3.85 |
0 |
|
|
48782 |
11528325 |
1 |
PO44C96H175 |
AB44C96D175 |
-2272.8 |
8.76 |
-10.11 |
-0.08 |
1 |
|
|
48783 |
11528326 |
1 |
KS16C30H52O73 |
AB16C30D52E73 |
-2930.89 |
10.98 |
0.0 |
0.0 |
0 |
|
|
48784 |
11528327 |
1 |
S16C30H52O73 |
A16B30C52D73 |
-3000.66 |
11.38 |
-10.65 |
-1.74 |
0 |
|
|
48785 |
11528328 |
2 |
O35C68H113 |
A35B68C113 |
-2765.95 |
9.34 |
-9.03 |
-0.62 |
0 |
|
|
48786 |
11528329 |
1 |
Co |
A |
91.13 |
0.0 |
0.0 |
0.0 |
0 |
|
|
48787 |
11528330 |
1 |
OC4H6 |
AB4C6 |
-26.93 |
3.78 |
-10.23 |
-0.33 |
0 |
|
|
48788 |
11528331 |
1 |
FOC3H7 |
ABC3D7 |
-110.37 |
1.78 |
-10.68 |
2.36 |
0 |
|
|
48789 |
11528332 |
1 |
LiSC3H7 |
ABC3D7 |
-34.44 |
6.9 |
-7.92 |
1.7 |
0 |
|
|
48790 |
11528333 |
1 |
OC3H3N3 |
AB3C3D3 |
49.68 |
2.75 |
-10.98 |
-1.02 |
0 |
|
|
48792 |
11528336 |
1 |
OC7H12 |
AB7C12 |
-32.52 |
2.17 |
-9.67 |
0.92 |
0 |
|
|
48793 |
11528337 |
1 |
NOC6H11 |
ABC6D11 |
-52.63 |
3.9 |
-10.43 |
1.18 |
0 |
|
|
48794 |
11528338 |
1 |
BOC6H15 |
ABC6D15 |
-109.99 |
1.7 |
-9.77 |
1.42 |
0 |
|
|
48795 |
11528339 |
2 |
OC3H6 |
AB3C6 |
-105.58 |
3.59 |
-10.0 |
0.32 |
0 |
|
|
48796 |
11528340 |
2 |
NOC2H5 |
ABC2D5 |
-105.99 |
3.55 |
-9.93 |
1.04 |
0 |
|
|
48797 |
11528341 |
3 |
C3H4 |
A3B4 |
13.47 |
0.79 |
-8.68 |
0.64 |
0 |
|
|
48798 |
11528342 |
1 |
ClO2C4H7 |
AB2C4D7 |
-100.29 |
2.89 |
-10.38 |
-0.36 |
0 |
|
|
48799 |
11528343 |
1 |
LiN3H4C6 |
AB3C4D6 |
82.68 |
5.31 |
-8.22 |
0.38 |
0 |
|
|
48800 |
11528344 |
1 |
OLi2C7H12 |
AB2C7D12 |
-40.54 |
6.79 |
-6.34 |
0.98 |
0 |
|
|
48801 |
11528345 |
1 |
O2C7H12 |
A2B7C12 |
-84.96 |
2.02 |
-9.29 |
1.34 |
0 |
|
|
48802 |
11528346 |
1 |
OSC6H8 |
ABC6D8 |
-24.59 |
1.7 |
-9.16 |
-0.28 |
0 |
|
|
48803 |
11528347 |
3 |
OC2H4 |
AB2C4 |
-158.85 |
2.42 |
-10.21 |
1.63 |
0 |
|
|
48804 |
11528348 |
1 |
NS2C4H7 |
AB2C4D7 |
29.25 |
3.91 |
-9.06 |
-0.59 |
0 |
|
|
48805 |
11528349 |
1 |
NS2C4H7 |
AB2C4D7 |
33.06 |
4.61 |
-9.0 |
-0.18 |
0 |
|
|
48806 |
11528350 |
1 |
ON2H6C7 |
AB2C6D7 |
-3.49 |
4.98 |
-8.68 |
-0.31 |
0 |
|
|
48807 |
11528351 |
1 |
N2O3C4H12 |
A2B3C4D12 |
-75.83 |
2.03 |
-9.59 |
1.21 |
0 |
|
|
48808 |
11528352 |
1 |
ON3C6H7 |
AB3C6D7 |
43.85 |
1.74 |
-9.18 |
-0.77 |
0 |
|
|
48809 |
11528353 |
1 |
NOC8H13 |
ABC8D13 |
-34.97 |
4.03 |
-8.84 |
0.35 |
0 |
|
|
48810 |
11528354 |
1 |
NOC8H13 |
ABC8D13 |
9.51 |
1.41 |
-9.3 |
1.08 |
0 |
|
|
48811 |
11528355 |
1 |
NC9H17 |
AB9C17 |
-5.3 |
1.41 |
-8.88 |
1.11 |
0 |
|
|
48812 |
11528356 |
1 |
NC9H17 |
AB9C17 |
-10.96 |
1.89 |
-8.97 |
1.22 |
0 |
|
|
48813 |
11528357 |
1 |
ClNO2C4H12 |
ABC2D4E12 |
-132.41 |
5.95 |
-10.06 |
0.84 |
0 |
|
|
48814 |
11528358 |
1 |
NO2C4H11 |
AB2C4D11 |
-93.84 |
1.9 |
-9.66 |
1.83 |
0 |
|
|
48815 |
11528359 |
1 |
NO2C7H13 |
AB2C7D13 |
-107.2 |
7.86 |
-10.2 |
1.22 |
0 |
|
|
48816 |
11528360 |
1 |
OC9H20 |
AB9C20 |
-90.46 |
1.88 |
-10.31 |
2.7 |
0 |
|
|
48817 |
11528361 |
1 |
NOC9H9 |
ABC9D9 |
11.18 |
1.83 |
-8.64 |
-0.19 |
0 |
|
|
48818 |
11528362 |
1 |
C5O5H6 |
A5B5C6 |
-204.6 |
3.32 |
-11.22 |
-1.9 |
0 |
|
|
48819 |
11528363 |
1 |
NO4C5H11 |
AB4C5D11 |
-124.42 |
2.99 |
-10.87 |
-0.73 |
0 |
|
|
48820 |
11528364 |
1 |
NO2H7C8 |
AB2C7D8 |
-54.57 |
3.37 |
-9.34 |
-0.69 |
0 |
|
|
48821 |
11528365 |
1 |
NO2H7C8 |
AB2C7D8 |
-21.7 |
4.72 |
-10.06 |
-0.95 |
0 |
|
|
48822 |
11528366 |
1 |
ON3C7H7 |
AB3C7D7 |
10.7 |
5.96 |
-8.9 |
-0.32 |
0 |
|
|
48823 |
11528367 |
5 |
COH2 |
ABC2 |
-234.43 |
6.6 |
-10.79 |
0.49 |
0 |
|
|
48824 |
11528368 |
1 |
ON2C8H10 |
AB2C8D10 |
-0.51 |
4.31 |
-9.98 |
-0.57 |
0 |
|
|
48825 |
11528370 |
5 |
COH2 |
ABC2 |
-231.8 |
2.58 |
-10.44 |
-0.2 |
0 |
|
|
48826 |
11528371 |
1 |
ON3C7H9 |
AB3C7D9 |
32.88 |
2.47 |
-9.07 |
-0.67 |
0 |
|
|
48827 |
11528372 |
1 |
NOC9H13 |
ABC9D13 |
8.12 |
3.42 |
-9.06 |
-0.39 |
0 |
|
|
48828 |
11528373 |
1 |
N3C8H13 |
A3B8C13 |
24.31 |
3.67 |
-9.06 |
0.9 |
0 |
|
|
48829 |
11528374 |
1 |
O2C9H12 |
A2B9C12 |
-80.33 |
4.64 |
-9.7 |
0.31 |
0 |