List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
229320 |
87567405 |
2 |
NO2C11H11 |
AB2C11D11 |
-41.42 |
6.74 |
-9.16 |
-1.2 |
0 |
|
|
229321 |
87567406 |
1 |
N3O4C14H15 |
A3B4C14D15 |
-118.46 |
5.14 |
-9.03 |
-1.2 |
0 |
|
|
229322 |
87567407 |
2 |
NO2C11H11 |
AB2C11D11 |
-40.8 |
4.54 |
-9.23 |
-1.08 |
0 |
|
|
229323 |
87567408 |
1 |
NC3Br9 |
AB3C9 |
-5.94 |
2.33 |
-9.25 |
-2.62 |
0 |
|
|
229324 |
87567413 |
1 |
N2O4H18C19 |
A2B4C18D19 |
-96.59 |
5.51 |
-8.19 |
-0.82 |
0 |
|
|
229325 |
87567414 |
1 |
NSiO4C21H35 |
ABC4D21E35 |
-244.19 |
1.72 |
-8.78 |
0.02 |
0 |
|
|
229326 |
87567415 |
1 |
S2F4N6O7H28C31 |
A2B4C6D7E28F31 |
-334.03 |
4.87 |
-9.36 |
-1.3 |
0 |
|
|
229327 |
87567416 |
1 |
O2C11H20 |
A2B11C20 |
-113.65 |
5.11 |
-9.65 |
0.76 |
0 |
|
|
229328 |
87567417 |
1 |
O2C11H20 |
A2B11C20 |
-114.49 |
4.84 |
-9.75 |
0.76 |
0 |
|
|
229329 |
87567421 |
1 |
N12O15C65H118 |
A12B15C65D118 |
-799.46 |
5.93 |
-9.29 |
-0.16 |
0 |
|
|
229330 |
87567422 |
1 |
FS2N4O6H23C26 |
AB2C4D6E23F26 |
-213.35 |
6.79 |
-9.11 |
-1.29 |
0 |
|
|
229331 |
87567423 |
1 |
SO3C9H10 |
AB3C9D10 |
-80.59 |
3.11 |
-8.9 |
-1.55 |
0 |
|
|
229332 |
87567426 |
1 |
ON2C20H36 |
AB2C20D36 |
-59.01 |
3.34 |
-8.92 |
0.96 |
0 |
|
|
229333 |
87567429 |
1 |
BrNOC9H18 |
ABCD9E18 |
-87.02 |
8.51 |
-9.41 |
0.23 |
0 |
|
|
229334 |
87567430 |
1 |
ClNSF2O3H16C17 |
ABCD2E3F16G17 |
-180.98 |
3.34 |
-8.9 |
-0.63 |
0 |
|
|
229335 |
87567431 |
2 |
NO4C10H18 |
AB4C10D18 |
-406.35 |
5.24 |
-9.9 |
0.16 |
0 |
|
|
229336 |
87567433 |
1 |
ClSO2N8C29H35 |
ABC2D8E29F35 |
-30.02 |
6.77 |
-8.5 |
-1.33 |
0 |
|
|
229337 |
87567434 |
3 |
NOC10H15 |
ABC10D15 |
-139.26 |
6.87 |
-8.06 |
0.26 |
0 |
|
|
229338 |
87567435 |
1 |
ClO3N6C18H23 |
AB3C6D18E23 |
-67.8 |
2.93 |
-9.06 |
-0.72 |
0 |
|
|
229339 |
87567437 |
1 |
NO4C15H21 |
AB4C15D21 |
-178.44 |
4.73 |
-9.44 |
-0.07 |
0 |
|
|
229340 |
87567438 |
1 |
FS2N4O6C25H29 |
AB2C4D6E25F29 |
-264.3 |
7.02 |
-9.18 |
-1.27 |
0 |
|
|
229341 |
87567439 |
2 |
O2C10H19 |
A2B10C19 |
-253.21 |
3.86 |
-10.56 |
0.42 |
0 |
|
|
229342 |
87567444 |
1 |
PSF2N3O6C22H30 |
ABC2D3E6F22G30 |
-372.73 |
5.59 |
-9.47 |
-0.17 |
0 |
|
|
229343 |
87567445 |
2 |
O5C9H17 |
A5B9C17 |
-521.22 |
7.64 |
-10.7 |
-0.19 |
0 |
|
|
229344 |
87567446 |
2 |
NO6C14H24 |
AB6C14D24 |
-619.41 |
5.52 |
-10.13 |
-0.12 |
0 |
|
|
229345 |
87567447 |
1 |
N2O5C11H12 |
A2B5C11D12 |
-114.79 |
3.64 |
-10.35 |
-1.62 |
0 |
|
|
229346 |
87567451 |
1 |
NOC8H13 |
ABC8D13 |
-36.03 |
3.41 |
-9.16 |
0.64 |
0 |
|
|
229347 |
87567452 |
1 |
S2C15H32 |
A2B15C32 |
-72.59 |
1.2 |
-9.01 |
0.47 |
0 |
|
|
229348 |
87567453 |
1 |
OCl2N3F4H21C24 |
AB2C3D4E21F24 |
-190.85 |
7.04 |
-9.71 |
-1.11 |
0 |
|
|
229349 |
87567454 |
1 |
OCl2N3F4H21C24 |
AB2C3D4E21F24 |
-189.7 |
8.06 |
-9.57 |
-0.74 |
0 |
|
|
229350 |
87567456 |
3 |
O6H8C9 |
A6B8C9 |
-657.03 |
5.17 |
-9.37 |
-1.44 |
0 |
|
|
229351 |
87567457 |
1 |
NaSH2O3F5C6 |
ABC2D3E5F6 |
-391.3 |
3.48 |
-8.32 |
-1.29 |
0 |
|
|
229352 |
87567459 |
1 |
PF2O5C14H19 |
AB2C5D14E19 |
-380.53 |
2.6 |
-9.75 |
-0.37 |
0 |
|
|
229353 |
87567460 |
1 |
PI2O5C18H21 |
AB2C5D18E21 |
-203.29 |
1.51 |
-8.72 |
-1.25 |
0 |
|
|
229354 |
87567465 |
2 |
NO2C7H10 |
AB2C7D10 |
-144.5 |
7.62 |
-8.68 |
-0.95 |
0 |
|
|
229355 |
87567468 |
1 |
ClON2F3H8C14 |
ABC2D3E8F14 |
-113.28 |
6.26 |
-10.34 |
-1.76 |
0 |
|
|
229356 |
87567469 |
1 |
PSF2N2O7H25C28 |
ABC2D2E7F25G28 |
-335.94 |
5.09 |
-8.99 |
-0.99 |
0 |
|
|
229357 |
87567470 |
1 |
P2N5O21C48H61 |
A2B5C21D48E61 |
-988.42 |
4.94 |
-9.32 |
-0.99 |
0 |
|
|
229358 |
87567471 |
1 |
PSF2N2O7C27H31 |
ABC2D2E7F27G31 |
-400.2 |
5.88 |
-9.17 |
-0.52 |
0 |
|
|
229359 |
87567472 |
1 |
SiO3C11H22 |
AB3C11D22 |
-200.7 |
5.36 |
-9.12 |
1.12 |
0 |
|
|
229360 |
87567475 |
1 |
ClPSF2N2O6C26H28 |
ABCD2E2F6G26H28 |
-356.04 |
5.03 |
-9.33 |
-1.2 |
0 |
|
|
229361 |
87567476 |
1 |
ClPF2N2O7C31H36 |
ABC2D2E7F31G36 |
-427.64 |
10.24 |
-8.46 |
-0.49 |
0 |
|
|
229362 |
87567477 |
1 |
ClPF2N2O7C31H36 |
ABC2D2E7F31G36 |
-432.93 |
4.84 |
-8.82 |
-0.54 |
0 |
|
|
229363 |
87567478 |
1 |
NaN4O4C14H20 |
AB4C4D14E20 |
-98.22 |
5.88 |
0.0 |
0.0 |
0 |
|
|
229364 |
87567479 |
2 |
N2O2C7H10 |
A2B2C7D10 |
-126.74 |
10.73 |
-8.67 |
-0.81 |
0 |
|
|
229365 |
87567486 |
1 |
PSF2N2O10C23H29 |
ABC2D2E10F23G29 |
-552.05 |
1.9 |
-9.14 |
-0.5 |
0 |
|
|
229366 |
87567487 |
1 |
NOCl2H9C14 |
ABC2D9E14 |
24.87 |
2.44 |
-9.5 |
-1.42 |
0 |
|
|
229367 |
87567488 |
1 |
KO4C8H14 |
AB4C8D14 |
-181.47 |
2.71 |
0.0 |
0.0 |
0 |
|
|
229368 |
87567489 |
1 |
FS2N4O6C25H29 |
AB2C4D6E25F29 |
-268.23 |
3.35 |
-9.23 |
-1.26 |
0 |
|
|
229369 |
87567492 |
1 |
ION3C12H16 |
ABC3D12E16 |
6.44 |
5.38 |
-8.81 |
-1.29 |
0 |