List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
231294 |
87573409 |
3 |
OC4H6 |
AB4C6 |
-111.19 |
7.28 |
-10.16 |
0.77 |
0 |
|
|
231295 |
87573415 |
2 |
N2O3C7H13 |
A2B3C7D13 |
-267.15 |
3.22 |
-9.45 |
-0.38 |
0 |
|
|
231296 |
87573416 |
1 |
S2N3O3F4H21C22 |
A2B3C3D4E21F22 |
-220.73 |
2.24 |
-9.02 |
-1.22 |
0 |
|
|
231297 |
87573417 |
1 |
F2O2N4C29H30 |
A2B2C4D29E30 |
-72.75 |
4.4 |
-8.35 |
-0.81 |
0 |
|
|
231298 |
87573418 |
1 |
OH10C11 |
AB10C11 |
103.94 |
0.72 |
-8.11 |
-0.94 |
0 |
|
|
231299 |
87573419 |
1 |
O4F7C12H15 |
A4B7C12D15 |
-527.38 |
2.87 |
-10.44 |
-0.34 |
0 |
|
|
231300 |
87573420 |
1 |
NP2C7O7H13 |
AB2C7D7E13 |
-393.44 |
6.23 |
-9.02 |
0.41 |
1 |
|
|
231301 |
87573421 |
1 |
ClFO2N3H16C21 |
ABC2D3E16F21 |
-35.75 |
5.91 |
0.0 |
0.0 |
0 |
|
|
231302 |
87573429 |
1 |
ClSO3N5C9H10 |
ABC3D5E9F10 |
-26.71 |
4.75 |
-9.18 |
-1.6 |
0 |
|
|
231303 |
87573430 |
1 |
SO3N5C9H9 |
AB3C5D9E9 |
-22.55 |
3.83 |
-9.87 |
-1.45 |
0 |
|
|
231304 |
87573431 |
1 |
SO7N8C33H48 |
AB7C8D33E48 |
-269.61 |
14.01 |
-9.3 |
-1.02 |
0 |
|
|
231305 |
87573433 |
1 |
O3N5C11H11 |
A3B5C11D11 |
-27.88 |
2.96 |
-9.83 |
-1.28 |
0 |
|
|
231306 |
87573435 |
1 |
NSi2C15H30 |
AB2C15D30 |
-15.48 |
5.65 |
0.0 |
0.0 |
0 |
|
|
231307 |
87573436 |
1 |
NSi2C18H41 |
AB2C18D41 |
-105.31 |
1.05 |
-7.61 |
0.38 |
0 |
|
|
231308 |
87573437 |
1 |
NSi2C18H41 |
AB2C18D41 |
-99.6 |
1.52 |
-8.13 |
0.8 |
0 |
|
|
231309 |
87573438 |
1 |
NSi2C18H38 |
AB2C18D38 |
-26.33 |
5.64 |
0.0 |
0.0 |
0 |
|
|
231310 |
87573442 |
1 |
O4C15H16 |
A4B15C16 |
-159.89 |
5.39 |
-9.44 |
-0.8 |
0 |
|
|
231311 |
87573450 |
1 |
BrNO4C11H20 |
ABC4D11E20 |
-209.88 |
7.45 |
-9.7 |
-0.3 |
0 |
|
|
231312 |
87573451 |
1 |
SiO4C14H18 |
AB4C14D18 |
-197.32 |
5.24 |
-9.52 |
-0.35 |
0 |
|
|
231313 |
87573456 |
1 |
PSO3C15H35 |
ABC3D15E35 |
-230.94 |
8.84 |
-9.71 |
1.96 |
0 |
|
|
231314 |
87573459 |
1 |
NSO2H13C14 |
ABC2D13E14 |
-26.72 |
4.13 |
-8.44 |
-0.99 |
0 |
|
|
231315 |
87573461 |
1 |
N3O5C19H25 |
A3B5C19D25 |
-150.36 |
4.12 |
-8.46 |
-0.2 |
0 |
|
|
231317 |
87573466 |
1 |
S2O4C33H38 |
A2B4C33D38 |
-101.58 |
18.5 |
-8.39 |
-1.12 |
1 |
|
|
231318 |
87573467 |
1 |
S2O3C33H37 |
A2B3C33D37 |
-72.22 |
7.53 |
0.0 |
0.0 |
0 |
|
|
231319 |
87573470 |
2 |
HO2C3F7 |
AB2C3D7 |
-717.08 |
2.81 |
-11.43 |
-1.62 |
0 |
|
|
231320 |
87573471 |
1 |
SiO4C11H22 |
AB4C11D22 |
-280.16 |
1.44 |
-9.85 |
0.06 |
1 |
|
|
231321 |
87573472 |
1 |
ON5C28H40 |
AB5C28D40 |
43.32 |
4.31 |
0.0 |
0.0 |
0 |
|
|
231322 |
87573475 |
1 |
OCl2N3C17H17 |
AB2C3D17E17 |
29.35 |
8.82 |
-9.24 |
-0.98 |
0 |
|
|
231323 |
87573476 |
1 |
INSO2C13H16 |
ABCD2E13F16 |
-30.54 |
12.0 |
-6.84 |
-1.82 |
0 |
|
|
231324 |
87573477 |
1 |
NSO2C13H17 |
ABC2D13E17 |
-46.04 |
6.98 |
-7.63 |
-0.04 |
0 |
|
|
231325 |
87573478 |
1 |
ON2F3H9C11 |
AB2C3D9E11 |
-146.35 |
7.47 |
-10.52 |
-1.13 |
0 |
|
|
231326 |
87573479 |
1 |
PSN2O4C30H37 |
ABC2D4E30F37 |
-131.57 |
15.59 |
-8.79 |
-0.85 |
1 |
|
|
231327 |
87573480 |
1 |
PSN2O4C30H36 |
ABC2D4E30F36 |
-132.22 |
4.98 |
0.0 |
0.0 |
0 |
|
|
231328 |
87573483 |
1 |
OSN9C20H21 |
ABC9D20E21 |
86.23 |
4.3 |
-8.18 |
-0.92 |
0 |
|
|
231329 |
87573485 |
1 |
PSF3O3C21H44 |
ABC3D3E21F44 |
-409.49 |
14.17 |
-10.2 |
1.12 |
0 |
|
|
231330 |
87573488 |
1 |
SiO4C18H34 |
AB4C18D34 |
-262.77 |
4.94 |
-9.55 |
-0.38 |
0 |
|
|
231331 |
87573489 |
1 |
SiO4C18H34 |
AB4C18D34 |
-268.71 |
5.55 |
-9.7 |
-0.22 |
0 |
|
|
231332 |
87573491 |
1 |
N2O6C9H12 |
A2B6C9D12 |
-196.53 |
3.57 |
-10.54 |
-0.9 |
0 |
|
|
231333 |
87573492 |
1 |
N2O6C9H12 |
A2B6C9D12 |
-217.89 |
5.91 |
-10.4 |
-0.9 |
0 |
|
|
231334 |
87573493 |
1 |
PSO3C21H47 |
ABC3D21E47 |
-204.76 |
38.24 |
-7.3 |
-0.48 |
0 |
|
|
231335 |
87573494 |
1 |
PSO3C21H47 |
ABC3D21E47 |
-262.4 |
8.6 |
-9.74 |
1.99 |
0 |
|
|
231336 |
87573495 |
1 |
PSO3C21H47 |
ABC3D21E47 |
-187.51 |
21.54 |
-8.52 |
-0.09 |
0 |
|
|
231337 |
87573500 |
1 |
FIO4H8C11 |
ABC4D8E11 |
-147.6 |
9.46 |
-10.02 |
-1.55 |
0 |
|
|
231338 |
87573501 |
1 |
N2O2C7H16 |
A2B2C7D16 |
-65.9 |
2.43 |
-9.01 |
1.4 |
0 |
|
|
231339 |
87573503 |
1 |
N5F6O7H33C34 |
A5B6C7D33E34 |
-474.91 |
4.72 |
-9.69 |
-0.85 |
0 |
|
|
231340 |
87573505 |
1 |
ON5F8C27H29 |
AB5C8D27E29 |
-359.81 |
5.23 |
-9.24 |
-1.15 |
0 |
|
|
231341 |
87573506 |
1 |
N9O10C59H79 |
A9B10C59D79 |
-346.86 |
6.83 |
-8.23 |
-0.49 |
0 |
|
|
231342 |
87573507 |
1 |
ClNSF3O3C14H17 |
ABCD3E3F14G17 |
-267.33 |
3.77 |
-8.79 |
-1.61 |
1 |
|
|
231343 |
87573512 |
1 |
SCl2O2N4H11C17 |
AB2C2D4E11F17 |
16.99 |
8.25 |
0.0 |
0.0 |
0 |
|
|
231344 |
87573513 |
1 |
SN2O2F3C8H9 |
AB2C2D3E8F9 |
-191.74 |
4.64 |
-9.53 |
-0.76 |
0 |