List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373242 |
131312149 |
1 |
IN2C8H11 |
AB2C8D11 |
45.59 |
3.77 |
-8.71 |
-0.54 |
0 |
|
|
373243 |
131312150 |
1 |
ClINSF3H4O4C7 |
ABCDE3F4G4H7 |
-262.12 |
6.39 |
-9.88 |
-2.02 |
0 |
|
|
373244 |
131312162 |
1 |
ClFNOH5C9 |
ABCDE5F9 |
-31.3 |
2.26 |
-10.11 |
-1.54 |
0 |
|
|
373245 |
131312165 |
1 |
ON2C12H22 |
AB2C12D22 |
-56.92 |
2.35 |
-8.96 |
0.44 |
0 |
|
|
373246 |
131312178 |
1 |
ClOF3N3H5C8 |
ABC3D3E5F8 |
-147.61 |
4.15 |
-9.69 |
-1.49 |
0 |
|
|
373247 |
131312221 |
1 |
BFIO2C12H15 |
ABCD2E12F15 |
-182.14 |
4.1 |
-9.24 |
-0.74 |
0 |
|
|
373248 |
131312226 |
1 |
BrClO2C11H12 |
ABC2D11E12 |
-73.77 |
1.52 |
-9.01 |
-1.1 |
0 |
|
|
373249 |
131312237 |
1 |
Cl2O2C11H12 |
A2B2C11D12 |
-84.25 |
2.28 |
-9.51 |
-0.68 |
0 |
|
|
373250 |
131312246 |
1 |
BrClO2C11H12 |
ABC2D11E12 |
-75.57 |
4.35 |
-9.26 |
-0.76 |
0 |
|
|
373251 |
131312254 |
1 |
NO2C13H21 |
AB2C13D21 |
-106.31 |
5.42 |
-9.07 |
0.1 |
0 |
|
|
373252 |
131312261 |
1 |
BrNO3C10H10 |
ABC3D10E10 |
-108.77 |
5.67 |
-9.34 |
-1.05 |
0 |
|
|
373253 |
131312270 |
1 |
SN3C11H11 |
AB3C11D11 |
72.12 |
4.29 |
-9.07 |
-0.9 |
0 |
|
|
373254 |
131312273 |
1 |
SN3C11H11 |
AB3C11D11 |
60.0 |
5.36 |
-8.98 |
-0.65 |
0 |
|
|
373255 |
131312285 |
1 |
ClSN2C9H9 |
ABC2D9E9 |
46.75 |
0.57 |
-9.0 |
-0.78 |
0 |
|
|
373256 |
131312294 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-99.82 |
4.21 |
-9.3 |
-1.83 |
0 |
|
|
373257 |
131312297 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-98.82 |
4.43 |
-9.27 |
-1.6 |
0 |
|
|
373258 |
131312304 |
1 |
ClN4H9C10 |
AB4C9D10 |
73.21 |
6.45 |
-9.23 |
-1.43 |
0 |
|
|
373259 |
131312307 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-86.31 |
4.11 |
-9.56 |
0.61 |
0 |
|
|
373260 |
131312312 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-95.29 |
4.6 |
-9.08 |
-0.16 |
0 |
|
|
373261 |
131312322 |
1 |
SO4H10C11 |
AB4C10D11 |
-130.65 |
2.27 |
-8.75 |
-1.2 |
0 |
|
|
373262 |
131312411 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-136.25 |
0.53 |
-9.33 |
-1.17 |
0 |
|
|
373263 |
131312429 |
1 |
ON2C11H12 |
AB2C11D12 |
-2.18 |
2.36 |
-8.68 |
0.04 |
0 |
|
|
373264 |
131312430 |
1 |
ON2C11H12 |
AB2C11D12 |
6.48 |
3.16 |
-8.59 |
0.21 |
0 |
|
|
373265 |
131312431 |
1 |
ON2C11H12 |
AB2C11D12 |
11.55 |
4.29 |
-8.19 |
0.04 |
0 |
|
|
373266 |
131312432 |
1 |
ON2C11H12 |
AB2C11D12 |
5.05 |
3.79 |
-8.63 |
0.11 |
0 |
|
|
373267 |
131312437 |
1 |
ON2C11H12 |
AB2C11D12 |
5.7 |
6.14 |
-9.11 |
-0.42 |
0 |
|
|
373268 |
131312448 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-96.29 |
2.33 |
-9.29 |
-1.67 |
0 |
|
|
373269 |
131312459 |
1 |
BN2O5C9H17 |
AB2C5D9E17 |
-298.16 |
9.05 |
-9.72 |
0.27 |
0 |
|
|
373270 |
131312467 |
1 |
ClNO2F3H5C9 |
ABC2D3E5F9 |
-196.99 |
3.56 |
-9.95 |
-1.45 |
0 |
|
|
373271 |
131312476 |
1 |
NOF2C12H15 |
ABC2D12E15 |
-135.8 |
4.02 |
-9.13 |
-0.3 |
0 |
|
|
373272 |
131312477 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-130.17 |
4.15 |
-9.14 |
-0.5 |
0 |
|
|
373273 |
131312478 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-111.64 |
3.99 |
-9.34 |
-0.45 |
0 |
|
|
373274 |
131312489 |
1 |
IO2C11H11 |
AB2C11D11 |
-50.48 |
4.97 |
-8.98 |
-0.85 |
0 |
|
|
373275 |
131312495 |
1 |
ClNF2C11H14 |
ABC2D11E14 |
-106.48 |
2.51 |
-9.58 |
-0.54 |
0 |
|
|
373276 |
131312592 |
1 |
ClISO2H6C10 |
ABCD2E6F10 |
-35.97 |
6.02 |
-9.32 |
-1.7 |
0 |
|
|
373277 |
131312594 |
1 |
ClISO2H8C11 |
ABCD2E8F11 |
-41.22 |
3.19 |
-9.0 |
-1.27 |
0 |
|
|
373278 |
131312611 |
1 |
ON2H12C13 |
AB2C12D13 |
19.65 |
6.13 |
-8.86 |
-0.68 |
0 |
|
|
373279 |
131312639 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-7.92 |
4.71 |
-9.21 |
-1.81 |
0 |
|
|
373280 |
131312650 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-72.1 |
4.96 |
-9.2 |
-1.61 |
0 |
|
|
373281 |
131312651 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-71.71 |
3.35 |
-9.2 |
-1.56 |
0 |
|
|
373282 |
131312678 |
1 |
BrNO2C12H14 |
ABC2D12E14 |
-65.01 |
5.72 |
-9.42 |
-1.0 |
0 |
|
|
373283 |
131312681 |
1 |
SN3C12H15 |
AB3C12D15 |
51.28 |
2.36 |
-8.4 |
-0.2 |
0 |
|
|
373284 |
131312682 |
1 |
SN3C12H15 |
AB3C12D15 |
49.45 |
0.62 |
-8.55 |
-0.04 |
0 |
|
|
373285 |
131312686 |
1 |
BrN2C12H13 |
AB2C12D13 |
51.52 |
2.59 |
-8.91 |
-0.43 |
0 |
|
|
373286 |
131312689 |
1 |
BrN3H10C11 |
AB3C10D11 |
67.23 |
3.84 |
-9.03 |
-0.64 |
0 |
|
|
373287 |
131312705 |
1 |
FN2C12H15 |
AB2C12D15 |
-25.46 |
4.56 |
-8.72 |
-0.4 |
0 |
|
|
373288 |
131312706 |
2 |
FOSH4C5 |
ABCD4E5 |
-145.84 |
2.12 |
-8.56 |
-1.17 |
0 |
|
|
373289 |
131312718 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-50.72 |
6.6 |
-9.38 |
-1.25 |
0 |
|
|
373290 |
131312732 |
1 |
BrO2N3C10H10 |
AB2C3D10E10 |
-24.06 |
1.43 |
-9.56 |
-1.45 |
0 |
|
|
373291 |
131312761 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-48.89 |
9.08 |
-9.67 |
-1.85 |
0 |