List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
264400 |
103459301 |
1 |
O3C17H20 |
A3B17C20 |
-102.99 |
3.83 |
-9.0 |
0.03 |
0 |
|
|
264401 |
103459316 |
1 |
ClFO2H14C15 |
ABC2D14E15 |
-107.7 |
1.97 |
-9.54 |
-0.42 |
0 |
|
|
264402 |
103459325 |
1 |
O3C14H20 |
A3B14C20 |
-131.34 |
1.35 |
-9.6 |
0.03 |
0 |
|
|
264403 |
103459354 |
1 |
O2C15H22 |
A2B15C22 |
-98.93 |
0.26 |
-9.51 |
0.2 |
0 |
|
|
264404 |
103459501 |
2 |
OC7H11 |
AB7C11 |
-106.97 |
3.29 |
-9.64 |
0.08 |
0 |
|
|
264405 |
103459505 |
1 |
SO2C12H12 |
AB2C12D12 |
-39.59 |
2.77 |
-9.19 |
-0.35 |
0 |
|
|
264406 |
103459507 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-42.37 |
3.32 |
-9.57 |
0.17 |
0 |
|
|
264407 |
103459512 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-27.51 |
4.03 |
-9.02 |
-0.23 |
0 |
|
|
264408 |
103459513 |
1 |
SO3C17H24 |
AB3C17D24 |
-134.95 |
4.38 |
-8.37 |
-0.13 |
0 |
|
|
264409 |
103459527 |
1 |
FO3H13C16 |
AB3C13D16 |
-100.99 |
2.03 |
-9.32 |
-0.61 |
0 |
|
|
264410 |
103459707 |
1 |
ClN2O2C13H23 |
AB2C2D13E23 |
-99.73 |
1.76 |
-9.53 |
0.08 |
0 |
|
|
264411 |
103459749 |
1 |
NSO2C13H23 |
ABC2D13E23 |
-114.15 |
2.23 |
-8.62 |
0.23 |
0 |
|
|
264412 |
103459751 |
1 |
BrO3C16H23 |
AB3C16D23 |
-141.68 |
5.08 |
-8.84 |
-0.14 |
0 |
|
|
264413 |
103459758 |
1 |
O2C17H26 |
A2B17C26 |
-98.07 |
2.45 |
-9.44 |
0.09 |
0 |
|
|
264414 |
103459815 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-74.71 |
2.97 |
-10.05 |
-0.92 |
0 |
|
|
264415 |
103459820 |
2 |
NOC8H15 |
ABC8D15 |
-110.69 |
4.2 |
-9.22 |
0.71 |
0 |
|
|
264416 |
103459856 |
1 |
O2C15H24 |
A2B15C24 |
-108.13 |
1.17 |
-9.2 |
0.25 |
0 |
|
|
264417 |
103459872 |
1 |
BrFO2C13H18 |
ABC2D13E18 |
-140.41 |
3.14 |
-9.8 |
-0.62 |
0 |
|
|
264418 |
103460113 |
1 |
FN2C12H19 |
AB2C12D19 |
-51.48 |
3.34 |
-8.12 |
0.12 |
0 |
|
|
264419 |
103460170 |
1 |
ClN2C12H19 |
AB2C12D19 |
-15.26 |
3.28 |
-8.1 |
0.09 |
0 |
|
|
264420 |
103460177 |
1 |
ON4C11H20 |
AB4C11D20 |
-30.6 |
1.7 |
-8.79 |
-0.07 |
0 |
|
|
264421 |
103460238 |
1 |
N3C13H19 |
A3B13C19 |
25.29 |
6.03 |
-8.36 |
-0.36 |
0 |
|
|
264422 |
103460256 |
1 |
NO3C13H25 |
AB3C13D25 |
-191.11 |
3.11 |
-9.51 |
0.29 |
0 |
|
|
264423 |
103460470 |
1 |
SN2C16H30 |
AB2C16D30 |
-32.82 |
1.75 |
-8.84 |
-0.13 |
0 |
|
|
264424 |
103460482 |
1 |
NC15H25 |
AB15C25 |
-12.28 |
1.88 |
-8.65 |
0.61 |
0 |
|
|
264425 |
103460545 |
1 |
NC17H27 |
AB17C27 |
4.85 |
1.32 |
-8.78 |
0.46 |
0 |
|
|
264426 |
103460689 |
1 |
ClNOC13H20 |
ABCD13E20 |
-61.13 |
4.09 |
-8.76 |
-0.12 |
0 |
|
|
264427 |
103460933 |
1 |
ClNOC13H20 |
ABCD13E20 |
-57.28 |
2.51 |
-9.02 |
-0.18 |
0 |
|
|
264428 |
103460991 |
1 |
ON2C10H22 |
AB2C10D22 |
-82.69 |
2.74 |
-9.44 |
1.32 |
0 |
|
|
264429 |
103461000 |
1 |
ON2C11H22 |
AB2C11D22 |
-55.58 |
4.87 |
-9.61 |
1.17 |
0 |
|
|
264430 |
103461035 |
1 |
ON2C12H24 |
AB2C12D24 |
-86.96 |
4.4 |
-9.07 |
1.26 |
0 |
|
|
264431 |
103461156 |
2 |
NC6H12 |
AB6C12 |
-25.31 |
2.31 |
-8.51 |
1.68 |
0 |
|
|
264432 |
103461299 |
1 |
N3C16H25 |
A3B16C25 |
23.57 |
2.18 |
-8.48 |
-0.04 |
0 |
|
|
264433 |
103461325 |
1 |
NOC11H23 |
ABC11D23 |
-84.61 |
0.75 |
-8.82 |
2.69 |
0 |
|
|
264434 |
103461396 |
1 |
NOC13H27 |
ABC13D27 |
-88.52 |
3.29 |
-8.8 |
2.38 |
0 |
|
|
264435 |
103461535 |
1 |
ON2C12H26 |
AB2C12D26 |
-93.67 |
3.61 |
-9.21 |
1.43 |
0 |
|
|
264436 |
103461613 |
1 |
ON2C13H26 |
AB2C13D26 |
-91.39 |
3.15 |
-9.01 |
1.19 |
0 |
|
|
264437 |
103461653 |
2 |
NOC7H14 |
ABC7D14 |
-126.16 |
3.45 |
-9.21 |
0.93 |
0 |
|
|
264438 |
103461762 |
1 |
O2N3C13H17 |
A2B3C13D17 |
21.55 |
11.34 |
-9.32 |
-1.38 |
0 |
|
|
264439 |
103461881 |
1 |
N2C15H32 |
A2B15C32 |
-53.78 |
1.78 |
-8.41 |
2.88 |
0 |
|
|
264440 |
103461888 |
1 |
BrNOC13H18 |
ABCD13E18 |
-47.32 |
3.95 |
-9.39 |
-0.6 |
0 |
|
|
264441 |
103461989 |
2 |
NOC6H9 |
ABC6D9 |
-77.95 |
3.23 |
-9.69 |
-0.87 |
0 |
|
|
264442 |
103462008 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-153.73 |
9.06 |
-9.17 |
-1.65 |
0 |
|
|
264443 |
103462121 |
2 |
NC6H14 |
AB6C14 |
-48.2 |
2.24 |
-8.47 |
2.99 |
0 |
|
|
264444 |
103462237 |
2 |
NC7H14 |
AB7C14 |
-21.24 |
0.93 |
-8.77 |
2.58 |
0 |
|
|
264445 |
103462334 |
2 |
NC6H10 |
AB6C10 |
-3.36 |
2.55 |
-8.3 |
0.35 |
0 |
|
|
264446 |
103462449 |
1 |
ClN3O3C13H20 |
AB3C3D13E20 |
-109.15 |
4.01 |
-9.66 |
-1.22 |
0 |
|
|
264447 |
103462495 |
1 |
N3C10H17 |
A3B10C17 |
13.07 |
1.44 |
-8.91 |
-0.04 |
0 |
|
|
264448 |
103462532 |
1 |
SN3C10H19 |
AB3C10D19 |
5.51 |
4.57 |
-8.79 |
-0.27 |
0 |
|
|
264449 |
103462652 |
1 |
ON2C13H18 |
AB2C13D18 |
-11.72 |
2.81 |
-8.65 |
-0.22 |
0 |