List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
264350 |
103456562 |
1 |
FO3C12H17 |
AB3C12D17 |
-174.44 |
2.91 |
-9.05 |
-0.25 |
0 |
|
|
264351 |
103456563 |
1 |
NO2C11H17 |
AB2C11D17 |
-89.09 |
1.9 |
-9.58 |
-0.05 |
0 |
|
|
264352 |
103456665 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-94.03 |
3.51 |
-9.04 |
0.87 |
0 |
|
|
264353 |
103456666 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-114.48 |
1.41 |
-8.84 |
0.43 |
0 |
|
|
264354 |
103456707 |
1 |
SO2C10H14 |
AB2C10D14 |
-63.53 |
2.33 |
-8.98 |
-0.22 |
0 |
|
|
264355 |
103456780 |
2 |
OC6H11 |
AB6C11 |
-111.92 |
0.7 |
-9.95 |
1.94 |
0 |
|
|
264356 |
103456869 |
1 |
NO2C11H15 |
AB2C11D15 |
-57.74 |
1.86 |
-9.95 |
-0.34 |
0 |
|
|
264357 |
103456913 |
2 |
OC7H10 |
AB7C10 |
-84.4 |
3.84 |
-8.97 |
0.24 |
0 |
|
|
264358 |
103456957 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-52.71 |
3.64 |
-9.95 |
0.33 |
0 |
|
|
264359 |
103457055 |
1 |
NO3C14H23 |
AB3C14D23 |
-139.42 |
4.93 |
-8.95 |
-0.08 |
0 |
|
|
264360 |
103457241 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-84.72 |
3.4 |
-9.49 |
0.69 |
0 |
|
|
264361 |
103457288 |
1 |
ClN2O2C14H25 |
AB2C2D14E25 |
-114.06 |
2.31 |
-9.08 |
0.51 |
0 |
|
|
264362 |
103457529 |
1 |
NO2C17H23 |
AB2C17D23 |
-86.35 |
2.25 |
-9.39 |
-0.11 |
0 |
|
|
264363 |
103457683 |
1 |
NO2C14H19 |
AB2C14D19 |
-76.05 |
3.31 |
-9.92 |
-0.19 |
0 |
|
|
264364 |
103457724 |
1 |
OC15H24 |
AB15C24 |
-76.56 |
3.15 |
-9.46 |
0.18 |
0 |
|
|
264365 |
103457728 |
1 |
ClON2C15H21 |
ABC2D15E21 |
-34.41 |
3.36 |
-8.97 |
-0.2 |
0 |
|
|
264366 |
103457731 |
1 |
ON2C17H20 |
AB2C17D20 |
-5.24 |
3.02 |
-8.78 |
-0.24 |
0 |
|
|
264367 |
103457741 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-17.38 |
4.04 |
-9.36 |
-0.57 |
0 |
|
|
264368 |
103457771 |
1 |
ON2C14H20 |
AB2C14D20 |
-21.34 |
4.45 |
-8.88 |
-0.14 |
0 |
|
|
264369 |
103457853 |
1 |
NOSC14H19 |
ABCD14E19 |
-33.97 |
2.4 |
-8.88 |
-0.14 |
0 |
|
|
264370 |
103457854 |
1 |
O2C17H22 |
A2B17C22 |
-74.95 |
2.57 |
-9.24 |
-0.3 |
0 |
|
|
264371 |
103457931 |
1 |
BrOSC12H13 |
ABCD12E13 |
-10.93 |
4.18 |
-9.22 |
-0.92 |
0 |
|
|
264372 |
103458117 |
1 |
ClN2O2C14H15 |
AB2C2D14E15 |
-28.83 |
1.8 |
-9.71 |
-1.02 |
0 |
|
|
264373 |
103458119 |
1 |
O2N3H13C16 |
A2B3C13D16 |
41.11 |
2.93 |
-9.9 |
-1.37 |
0 |
|
|
264374 |
103458141 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-38.2 |
3.16 |
-9.39 |
-0.28 |
0 |
|
|
264375 |
103458173 |
1 |
NO3C16H17 |
AB3C16D17 |
-66.77 |
6.15 |
-9.49 |
-1.12 |
0 |
|
|
264376 |
103458196 |
2 |
OC8H11 |
AB8C11 |
-88.11 |
3.37 |
-9.63 |
-0.08 |
0 |
|
|
264377 |
103458205 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-28.98 |
3.01 |
-9.28 |
-0.23 |
0 |
|
|
264378 |
103458232 |
2 |
NOH5C6 |
ABC5D6 |
-1.82 |
3.32 |
-9.75 |
-1.55 |
0 |
|
|
264379 |
103458344 |
1 |
O2C15H22 |
A2B15C22 |
-98.04 |
4.98 |
-9.53 |
-0.64 |
0 |
|
|
264380 |
103458364 |
2 |
OC6H11 |
AB6C11 |
-110.51 |
2.35 |
-9.74 |
0.36 |
0 |
|
|
264381 |
103458373 |
1 |
O3C16H24 |
A3B16C24 |
-133.9 |
5.94 |
-9.39 |
-0.64 |
0 |
|
|
264382 |
103458417 |
1 |
FO3C14H19 |
AB3C14D19 |
-168.36 |
4.95 |
-9.67 |
-0.78 |
0 |
|
|
264383 |
103458444 |
1 |
O3C16H28 |
A3B16C28 |
-174.67 |
2.29 |
-9.55 |
0.2 |
0 |
|
|
264384 |
103458476 |
1 |
O2C9H16 |
A2B9C16 |
-88.99 |
3.4 |
-9.96 |
-0.55 |
0 |
|
|
264385 |
103458593 |
1 |
NO3C16H25 |
AB3C16D25 |
-135.6 |
4.39 |
-9.44 |
-0.39 |
0 |
|
|
264386 |
103458627 |
1 |
ON2C11H16 |
AB2C11D16 |
-2.72 |
2.41 |
-9.8 |
0.09 |
0 |
|
|
264387 |
103458629 |
1 |
ON2C12H18 |
AB2C12D18 |
-11.37 |
6.06 |
-9.12 |
0.13 |
0 |
|
|
264388 |
103458633 |
1 |
OSC14H20 |
ABC14D20 |
-39.97 |
3.27 |
-9.02 |
0.0 |
0 |
|
|
264389 |
103458646 |
1 |
OC14H24 |
AB14C24 |
-77.08 |
3.03 |
-9.46 |
0.26 |
0 |
|
|
264390 |
103458695 |
1 |
ON3C14H23 |
AB3C14D23 |
-23.52 |
3.48 |
-9.69 |
-0.3 |
0 |
|
|
264391 |
103458742 |
1 |
NO2C13H17 |
AB2C13D17 |
-48.76 |
1.79 |
-9.29 |
-0.76 |
0 |
|
|
264392 |
103458793 |
1 |
BrON2C12H17 |
ABC2D12E17 |
-8.3 |
2.33 |
-9.55 |
-0.56 |
0 |
|
|
264393 |
103458908 |
1 |
OSC12H16 |
ABC12D16 |
-28.16 |
4.15 |
-9.18 |
-0.6 |
0 |
|
|
264394 |
103458965 |
1 |
OC11H18 |
AB11C18 |
-48.67 |
3.23 |
-9.6 |
0.18 |
0 |
|
|
264395 |
103459002 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-88.3 |
3.56 |
-9.7 |
0.45 |
0 |
|
|
264396 |
103459055 |
2 |
ClOC7H9 |
ABC7D9 |
-112.99 |
1.35 |
-9.52 |
-0.5 |
0 |
|
|
264397 |
103459194 |
1 |
N2O2C17H30 |
A2B2C17D30 |
-108.05 |
3.88 |
-9.25 |
0.66 |
0 |
|
|
264398 |
103459248 |
1 |
O4C17H26 |
A4B17C26 |
-176.09 |
2.06 |
-8.98 |
0.14 |
0 |
|
|
264399 |
103459280 |
2 |
OC6H12 |
AB6C12 |
-143.47 |
0.43 |
-9.66 |
2.45 |
0 |