List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
80992 |
49854232 |
1 |
O2F3N5H16C17 |
A2B3C5D16E17 |
-136.96 |
3.83 |
-9.58 |
-1.23 |
0 |
|
|
80993 |
49854233 |
4 |
NOC4H4 |
ABC4D4 |
-78.84 |
6.62 |
-9.5 |
-1.02 |
0 |
|
|
80994 |
49854234 |
1 |
BrO2N5C17H18 |
AB2C5D17E18 |
-1.78 |
5.8 |
-9.29 |
-0.86 |
0 |
|
|
80995 |
49854235 |
1 |
O3N4H20C24 |
A3B4C20D24 |
-29.95 |
5.6 |
-9.29 |
-0.88 |
1 |
|
|
80996 |
49854236 |
1 |
SN4O6C41H45 |
AB4C6D41E45 |
-72.52 |
6.08 |
0.0 |
0.0 |
1 |
|
|
80997 |
49854237 |
1 |
SO3N5C35H40 |
AB3C5D35E40 |
44.13 |
11.0 |
0.0 |
0.0 |
0 |
|
|
80998 |
49854238 |
1 |
SN3O3C36H41 |
AB3C3D36E41 |
46.36 |
12.36 |
-7.29 |
-1.2 |
1 |
|
|
80999 |
49854239 |
1 |
SN3O3C36H42 |
AB3C3D36E42 |
16.73 |
8.11 |
0.0 |
0.0 |
0 |
|
|
81000 |
49854240 |
1 |
SN5O5C43H49 |
AB5C5D43E49 |
-22.67 |
19.82 |
-8.56 |
-2.16 |
1 |
|
|
81001 |
49854241 |
1 |
SN5O5C43H50 |
AB5C5D43E50 |
-74.97 |
5.25 |
0.0 |
0.0 |
0 |
|
|
81002 |
49854242 |
1 |
FeCl2N5C21H25 |
AB2C5D21E25 |
141.74 |
3.57 |
-8.33 |
-1.1 |
0 |
|
|
81003 |
49854243 |
1 |
O12C31H42 |
A12B31C42 |
-499.06 |
3.35 |
-9.52 |
0.1 |
0 |
|
|
81004 |
49854244 |
1 |
O2C17H34 |
A2B17C34 |
-165.08 |
2.14 |
-10.55 |
0.91 |
0 |
|
|
81005 |
49854245 |
1 |
NO3C5H9 |
AB3C5D9 |
-127.84 |
1.48 |
-10.18 |
-0.73 |
0 |
|
|
81006 |
49854246 |
1 |
ClSN5O5C22H26 |
ABC5D5E22F26 |
-138.99 |
9.23 |
-8.43 |
-0.44 |
0 |
|
|
81007 |
49854247 |
1 |
ClSN5O5C22H26 |
ABC5D5E22F26 |
-133.35 |
8.08 |
-8.34 |
-0.44 |
0 |
|
|
81008 |
49854248 |
1 |
ClSN5O5C23H28 |
ABC5D5E23F28 |
-150.05 |
4.57 |
-8.66 |
-0.64 |
0 |
|
|
81009 |
49854249 |
1 |
ClSN5O6C21H24 |
ABC5D6E21F24 |
-165.14 |
2.49 |
-8.65 |
-0.78 |
0 |
|
|
81010 |
49854250 |
1 |
ClSO4N5C22H26 |
ABC4D5E22F26 |
-96.34 |
2.34 |
-8.31 |
-0.54 |
0 |
|
|
81011 |
49854251 |
1 |
SN6O12C35H44 |
AB6C12D35E44 |
-451.49 |
11.97 |
-9.28 |
-0.9 |
0 |
|
|
81012 |
49854252 |
1 |
SN7O12C33H43 |
AB7C12D33E43 |
-460.31 |
8.21 |
-8.43 |
-0.67 |
0 |
|
|
81013 |
49854253 |
1 |
S2N8O12C25H34 |
A2B8C12D25E34 |
-440.45 |
11.84 |
-9.44 |
-1.46 |
0 |
|
|
81014 |
49854254 |
1 |
S2N8O13C25H34 |
A2B8C13D25E34 |
-426.75 |
8.94 |
-8.83 |
-1.67 |
0 |
|
|
81015 |
49854255 |
1 |
SN4O5H22C23 |
AB4C5D22E23 |
-74.12 |
8.49 |
-9.0 |
-1.14 |
0 |
|
|
81016 |
49854256 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-78.52 |
5.97 |
-9.0 |
-1.21 |
0 |
|
|
81017 |
49854257 |
1 |
SN4O5C25H26 |
AB4C5D25E26 |
-85.72 |
3.51 |
-8.98 |
-1.14 |
0 |
|
|
81018 |
49854258 |
1 |
SN4O5C24H24 |
AB4C5D24E24 |
-73.97 |
4.4 |
-9.25 |
-1.12 |
0 |
|
|
81019 |
49854259 |
1 |
SN4O5C25H26 |
AB4C5D25E26 |
-75.94 |
4.86 |
-9.31 |
-1.1 |
0 |
|
|
81020 |
49854260 |
1 |
SO2N8C21H30 |
AB2C8D21E30 |
-26.45 |
7.57 |
-8.15 |
-0.69 |
0 |
|
|
81021 |
49854261 |
1 |
SO2N7C25H29 |
AB2C7D25E29 |
-6.46 |
5.77 |
-8.34 |
-0.93 |
0 |
|
|
81022 |
49854262 |
1 |
SO2N6C18H22 |
AB2C6D18E22 |
-20.29 |
2.5 |
-8.98 |
-1.18 |
0 |
|
|
81023 |
49854263 |
1 |
SO2N6C18H22 |
AB2C6D18E22 |
-21.01 |
2.49 |
-9.03 |
-1.23 |
0 |
|
|
81024 |
49854264 |
1 |
SO3N7C19H25 |
AB3C7D19E25 |
-76.95 |
3.44 |
-8.41 |
-1.06 |
0 |
|
|
81025 |
49854265 |
1 |
SO3N7C19H25 |
AB3C7D19E25 |
-73.45 |
3.28 |
-8.53 |
-1.07 |
0 |
|
|
81026 |
49854266 |
1 |
N3O10C43H43 |
A3B10C43D43 |
-325.25 |
7.57 |
-9.7 |
-1.45 |
0 |
|
|
81027 |
49854267 |
1 |
ClN2O3C22H25 |
AB2C3D22E25 |
-108.6 |
0.97 |
-8.86 |
-0.45 |
0 |
|
|
81028 |
49854268 |
1 |
ClN2O3C23H27 |
AB2C3D23E27 |
-112.14 |
5.35 |
-8.93 |
-0.47 |
0 |
|
|
81029 |
49854269 |
1 |
N2O3C23H28 |
A2B3C23D28 |
-101.84 |
2.39 |
-8.89 |
-0.14 |
0 |
|
|
81030 |
49854270 |
2 |
NO2C12H15 |
AB2C12D15 |
-142.78 |
2.69 |
-8.77 |
-0.03 |
0 |
|
|
81031 |
49854271 |
1 |
FN2O4C24H29 |
AB2C4D24E29 |
-195.29 |
4.48 |
-8.67 |
-0.08 |
0 |
|
|
81032 |
49854272 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-35.08 |
2.75 |
-8.33 |
-0.08 |
0 |
|
|
81033 |
49854273 |
1 |
ON2C19H20 |
AB2C19D20 |
-4.95 |
4.32 |
-8.01 |
0.02 |
0 |
|
|
81034 |
49854274 |
1 |
ON3C17H19 |
AB3C17D19 |
1.31 |
5.09 |
-8.11 |
0.08 |
0 |
|
|
81035 |
49854275 |
1 |
ON3H15C18 |
AB3C15D18 |
42.0 |
4.75 |
-9.08 |
-0.58 |
0 |
|
|
81036 |
49854276 |
1 |
ON3H13C16 |
AB3C13D16 |
29.9 |
1.75 |
-8.97 |
-0.24 |
0 |
|
|
81037 |
49854277 |
1 |
ON2C19H22 |
AB2C19D22 |
-6.68 |
3.06 |
-8.03 |
-0.05 |
2 |
|
|
81039 |
49854279 |
1 |
ClSO2N3C6H14 |
ABC2D3E6F14 |
-126.96 |
8.99 |
-8.99 |
-0.09 |
0 |
|
|
81040 |
49854280 |
1 |
SN5O5H27C28 |
AB5C5D27E28 |
-94.91 |
8.26 |
-8.41 |
-1.67 |
0 |
|
|
81041 |
49854281 |
1 |
SF2O4N5H23C27 |
AB2C4D5E23F27 |
-148.66 |
10.8 |
-8.88 |
-1.72 |
0 |
|
|
81042 |
49854282 |
1 |
FSO4N5H24C27 |
ABC4D5E24F27 |
-98.03 |
8.41 |
-8.95 |
-1.66 |
0 |