List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420289 |
135112268 |
1 |
SO4N7C28H35 |
AB4C7D28E35 |
-71.87 |
4.79 |
-8.8 |
-0.82 |
0 |
|
|
420290 |
135112269 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-109.52 |
4.7 |
-9.14 |
-0.52 |
0 |
|
|
420291 |
135112273 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-88.54 |
4.89 |
-8.34 |
-0.01 |
0 |
|
|
420292 |
135112278 |
1 |
FN3O3C16H20 |
AB3C3D16E20 |
-109.16 |
4.85 |
-9.5 |
-0.58 |
0 |
|
|
420293 |
135112280 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-36.61 |
3.44 |
-8.64 |
-0.05 |
0 |
|
|
420294 |
135112291 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-75.95 |
1.66 |
-8.98 |
-0.21 |
0 |
|
|
420295 |
135112293 |
1 |
OS2N4C16H16 |
AB2C4D16E16 |
56.42 |
5.33 |
-9.32 |
-1.39 |
0 |
|
|
420296 |
135112294 |
1 |
ClN3O3C16H22 |
AB3C3D16E22 |
-122.88 |
4.64 |
-9.15 |
-0.1 |
0 |
|
|
420297 |
135112295 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-116.96 |
3.33 |
-8.71 |
-0.24 |
0 |
|
|
420298 |
135112296 |
3 |
N2C7H8 |
A2B7C8 |
96.79 |
4.03 |
-8.65 |
-0.58 |
0 |
|
|
420299 |
135112322 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-25.19 |
1.5 |
-9.33 |
-0.09 |
0 |
|
|
420300 |
135112323 |
1 |
ClNO5C19H24 |
ABC5D19E24 |
-199.38 |
4.34 |
-9.5 |
-0.57 |
0 |
|
|
420301 |
135112331 |
1 |
SN3O4C18H21 |
AB3C4D18E21 |
-106.06 |
7.68 |
-9.51 |
-1.02 |
0 |
|
|
420302 |
135112340 |
1 |
SN5O5C28H35 |
AB5C5D28E35 |
-163.96 |
9.3 |
-8.4 |
-0.62 |
0 |
|
|
420303 |
135112351 |
1 |
FO2N3C18H20 |
AB2C3D18E20 |
-69.11 |
5.4 |
-8.49 |
-0.14 |
0 |
|
|
420304 |
135112360 |
1 |
SN3O3C11H19 |
AB3C3D11E19 |
-73.43 |
0.79 |
-8.86 |
-0.55 |
0 |
|
|
420305 |
135112368 |
1 |
FO2N4C18H25 |
AB2C4D18E25 |
-104.33 |
6.01 |
-9.14 |
-0.85 |
0 |
|
|
420306 |
135112370 |
1 |
FN3O5C18H20 |
AB3C5D18E20 |
-185.19 |
5.21 |
-9.33 |
-1.47 |
0 |
|
|
420307 |
135112372 |
1 |
O2N3C23H27 |
A2B3C23D27 |
-25.58 |
7.81 |
-8.75 |
-0.62 |
0 |
|
|
420309 |
135112374 |
1 |
NSF2O5C16H21 |
ABC2D5E16F21 |
-302.3 |
6.03 |
-9.69 |
-1.03 |
0 |
|
|
420310 |
135112384 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-128.83 |
2.93 |
-9.0 |
-0.16 |
0 |
|
|
420311 |
135112385 |
1 |
ON4C13H18 |
AB4C13D18 |
19.13 |
5.54 |
-9.2 |
-0.4 |
0 |
|
|
420312 |
135112386 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
-1.26 |
3.49 |
-8.31 |
-0.71 |
0 |
|
|
420313 |
135112400 |
1 |
ON3C14H19 |
AB3C14D19 |
11.95 |
2.44 |
-9.14 |
-0.12 |
0 |
|
|
420315 |
135112402 |
1 |
O4N5C28H35 |
A4B5C28D35 |
-85.0 |
4.14 |
-8.49 |
-0.08 |
0 |
|
|
420316 |
135112403 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-88.08 |
6.21 |
-8.53 |
-0.53 |
0 |
|
|
420317 |
135112432 |
1 |
NO3C20H29 |
AB3C20D29 |
-133.25 |
2.6 |
-8.68 |
0.24 |
0 |
|
|
420318 |
135112433 |
1 |
FO2N4C17H21 |
AB2C4D17E21 |
-74.5 |
5.82 |
-8.83 |
0.0 |
0 |
|
|
420319 |
135112446 |
2 |
ON2C6H11 |
AB2C6D11 |
-87.08 |
4.61 |
-9.45 |
0.33 |
0 |
|
|
420321 |
135112480 |
1 |
O2N5C16H19 |
A2B5C16D19 |
-5.02 |
6.42 |
-9.45 |
-0.15 |
0 |
|
|
420322 |
135112483 |
2 |
N3O4C19H24 |
A3B4C19D24 |
-307.77 |
4.01 |
-8.93 |
-0.27 |
0 |
|
|
420323 |
135112487 |
1 |
FON4C22H23 |
ABC4D22E23 |
-4.03 |
3.89 |
-8.72 |
-0.62 |
0 |
|
|
420324 |
135112488 |
3 |
NOC6H9 |
ABC6D9 |
-115.99 |
1.8 |
-8.97 |
-0.28 |
0 |
|
|
420325 |
135112490 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-54.28 |
1.81 |
-8.83 |
-0.5 |
0 |
|
|
420326 |
135112491 |
1 |
ON4C19H22 |
AB4C19D22 |
20.98 |
4.14 |
-8.44 |
-0.08 |
0 |
|
|
420327 |
135112492 |
1 |
NO5C20H31 |
AB5C20D31 |
-236.46 |
8.56 |
-8.97 |
-0.01 |
0 |
|
|
420329 |
135112517 |
1 |
ClNSO5C16H22 |
ABCD5E16F22 |
-223.97 |
2.8 |
-10.14 |
-1.13 |
0 |
|
|
420330 |
135112518 |
1 |
N2S2O3C14H22 |
A2B2C3D14E22 |
-91.17 |
6.34 |
-8.51 |
-0.91 |
0 |
|
|
420331 |
135112519 |
1 |
N3O5C18H23 |
A3B5C18D23 |
-136.55 |
2.12 |
-8.72 |
-1.0 |
0 |
|
|
420332 |
135112520 |
1 |
NO3C19H29 |
AB3C19D29 |
-138.72 |
2.73 |
-8.68 |
0.42 |
0 |
|
|
420333 |
135112553 |
1 |
NSO4C13H23 |
ABC4D13E23 |
-206.34 |
4.35 |
-9.52 |
0.8 |
0 |
|
|
420334 |
135112555 |
1 |
NO2C23H35 |
AB2C23D35 |
-115.57 |
5.1 |
-8.96 |
0.56 |
0 |
|
|
420335 |
135112556 |
1 |
O3N4C26H28 |
A3B4C26D28 |
-53.53 |
6.36 |
-9.12 |
-0.73 |
0 |
|
|
420336 |
135112566 |
1 |
ClFN4C17H24 |
ABC4D17E24 |
-14.82 |
4.49 |
-8.59 |
-0.14 |
0 |
|
|
420337 |
135112586 |
1 |
SO2N4C25H28 |
AB2C4D25E28 |
4.33 |
8.16 |
-9.16 |
-0.37 |
0 |
|
|
420338 |
135112587 |
1 |
N6O7C32H50 |
A6B7C32D50 |
-320.05 |
6.26 |
-9.41 |
0.01 |
0 |
|
|
420339 |
135112597 |
4 |
NC4H7 |
AB4C7 |
15.18 |
3.14 |
-8.64 |
0.79 |
0 |
|
|
420340 |
135112605 |
1 |
O7N8C43H54 |
A7B8C43D54 |
-238.55 |
7.85 |
-8.41 |
-0.87 |
0 |
|
|
420343 |
135112622 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-124.59 |
3.46 |
-9.49 |
-0.07 |
0 |
|
|
420344 |
135112624 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
4.73 |
6.88 |
-9.09 |
-0.35 |
0 |
|
|
420345 |
135112637 |
1 |
Cl2N2O4C17H18 |
A2B2C4D17E18 |
-106.3 |
0.45 |
-9.35 |
-0.7 |
0 |
|
|
420346 |
135112640 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-2.37 |
4.64 |
-8.74 |
-0.3 |
0 |
|
|
420347 |
135112641 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-88.55 |
3.61 |
-8.8 |
-0.25 |
0 |
|
|
420348 |
135112642 |
1 |
N6C21H32 |
A6B21C32 |
35.84 |
3.68 |
-8.6 |
-0.03 |
0 |
|
|
420349 |
135112664 |
1 |
FN4O5C27H33 |
AB4C5D27E33 |
-217.56 |
6.36 |
-9.25 |
-0.72 |
0 |
|
|
420350 |
135112667 |
1 |
FSN2O4C16H23 |
ABC2D4E16F23 |
-204.42 |
7.5 |
-9.5 |
-0.14 |
0 |
|
|
420351 |
135112668 |
1 |
SN6O6C35H44 |
AB6C6D35E44 |
-216.49 |
3.81 |
-8.85 |
-0.89 |
0 |
|
|
420352 |
135112669 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-82.82 |
5.54 |
-8.92 |
-0.04 |
0 |
|
|
420353 |
135112671 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-82.9 |
1.28 |
-8.89 |
0.05 |
0 |
|
|
420354 |
135112672 |
2 |
ON2C14H15 |
AB2C14D15 |
3.47 |
4.91 |
-8.77 |
-0.8 |
0 |
|
|
420355 |
135112674 |
1 |
FN5H20C22 |
AB5C20D22 |
68.64 |
3.4 |
-8.63 |
-0.56 |
0 |
|
|
420356 |
135112677 |
1 |
FON5C14H24 |
ABC5D14E24 |
-58.22 |
2.38 |
-8.5 |
0.04 |
0 |
|
|
420357 |
135112678 |
1 |
Cl2N6O7C33H42 |
A2B6C7D33E42 |
-278.35 |
6.93 |
-9.09 |
-1.11 |
0 |
|
|
420358 |
135112686 |
1 |
NO2C19H29 |
AB2C19D29 |
-108.06 |
1.91 |
-8.84 |
0.51 |
0 |
|
|
420359 |
135112702 |
1 |
N5O7C31H49 |
A5B7C31D49 |
-323.43 |
9.1 |
-8.45 |
0.07 |
0 |
|
|
420361 |
135112711 |
2 |
ON2C9H13 |
AB2C9D13 |
-51.87 |
2.48 |
-8.7 |
0.18 |
0 |
|
|
420362 |
135112725 |
1 |
FNO3C23H26 |
ABC3D23E26 |
-154.87 |
1.85 |
-9.41 |
-0.52 |
0 |
|
|
420363 |
135112729 |
1 |
ClN5C14H16 |
AB5C14D16 |
83.44 |
3.46 |
-8.78 |
-0.32 |
0 |
|
|
420364 |
135112731 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-57.08 |
6.09 |
-8.68 |
-0.77 |
0 |
|
|
420365 |
135112743 |
2 |
FN2C11H11 |
AB2C11D11 |
-30.82 |
4.73 |
-8.87 |
-0.94 |
0 |
|
|
420367 |
135112745 |
1 |
NO3C24H31 |
AB3C24D31 |
-91.91 |
4.36 |
-8.33 |
0.12 |
0 |
|
|
420368 |
135112759 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-54.92 |
1.55 |
-8.84 |
-0.07 |
0 |
|
|
420369 |
135112762 |
1 |
ClFN2O2C16H20 |
ABC2D2E16F20 |
-17.61 |
5.27 |
-8.87 |
-0.4 |
0 |
|
|
420370 |
135112764 |
1 |
ON3C14H23 |
AB3C14D23 |
-33.4 |
4.04 |
-9.03 |
-0.14 |
0 |
|
|
420371 |
135112789 |
2 |
NO2C12H19 |
AB2C12D19 |
-180.75 |
3.66 |
-8.5 |
0.41 |
0 |
|
|
420373 |
135112793 |
1 |
O5N7C34H43 |
A5B7C34D43 |
-155.32 |
9.9 |
-9.21 |
-0.47 |
0 |
|
|
420374 |
135112795 |
1 |
NSO6C16H23 |
ABC6D16E23 |
-249.82 |
3.88 |
-9.68 |
-0.79 |
0 |
|
|
420375 |
135112803 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-110.4 |
1.61 |
-8.74 |
-0.64 |
0 |
|
|
420376 |
135112808 |
1 |
S2O3N4C15H20 |
A2B3C4D15E20 |
-45.95 |
4.7 |
-9.05 |
-0.75 |
0 |
|
|
420377 |
135112817 |
1 |
ON6C14H22 |
AB6C14D22 |
1.42 |
2.93 |
-8.5 |
0.34 |
0 |
|
|
420378 |
135112818 |
1 |
NSO3C22H29 |
ABC3D22E29 |
-108.63 |
3.49 |
-8.49 |
-0.15 |
0 |
|
|
420379 |
135112820 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-119.24 |
2.35 |
-9.0 |
-0.22 |
0 |
|
|
420380 |
135112852 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-110.53 |
3.11 |
-9.3 |
-0.68 |
0 |
|
|
420381 |
135112854 |
1 |
ClN6O8C36H47 |
AB6C8D36E47 |
-335.25 |
9.69 |
-9.27 |
-0.91 |
0 |
|
|
420382 |
135112874 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-23.75 |
5.3 |
-8.82 |
-0.15 |
0 |
|
|
420383 |
135112878 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-101.05 |
4.87 |
-8.66 |
-0.45 |
0 |
|
|
420384 |
135112881 |
1 |
NO3C18H25 |
AB3C18D25 |
-135.3 |
3.6 |
-8.95 |
0.13 |
0 |
|
|
420385 |
135112884 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-113.42 |
5.29 |
-9.29 |
-0.52 |
0 |
|
|
420386 |
135112885 |
1 |
ON4C15H20 |
AB4C15D20 |
109.32 |
3.25 |
-8.79 |
-0.63 |
0 |
|
|
420387 |
135112887 |
1 |
O2N3C21H21 |
A2B3C21D21 |
0.6 |
3.53 |
-8.68 |
-0.42 |
0 |
|
|
420388 |
135112890 |
1 |
S2N3O4C15H19 |
A2B3C4D15E19 |
-112.88 |
3.49 |
-9.38 |
-1.01 |
0 |
|
|
420389 |
135112891 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-77.88 |
2.82 |
-9.05 |
-0.33 |
0 |
|
|
420390 |
135112892 |
1 |
SO3N5C13H13 |
AB3C5D13E13 |
25.45 |
3.52 |
-9.57 |
-1.21 |
0 |
|
|
420391 |
135112903 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-66.16 |
2.93 |
-9.41 |
-0.91 |
0 |
|
|
420392 |
135112922 |
1 |
ClOSN4C13H17 |
ABCD4E13F17 |
15.02 |
4.5 |
-8.84 |
-1.14 |
0 |
|
|
420393 |
135112926 |
1 |
ON4C20H22 |
AB4C20D22 |
46.68 |
5.8 |
-8.76 |
-0.63 |
0 |
|
|
420394 |
135112931 |
1 |
ClO2N3C16H22 |
AB2C3D16E22 |
-82.59 |
5.85 |
-8.54 |
-0.1 |
0 |
|
|
420395 |
135112936 |
1 |
ON5C13H21 |
AB5C13D21 |
16.35 |
5.23 |
-9.17 |
0.01 |
0 |
|
|
420396 |
135112942 |
1 |
N4O5C28H36 |
A4B5C28D36 |
-150.56 |
4.94 |
-8.27 |
-0.9 |
0 |
|
|
420397 |
135112943 |
1 |
NO2C19H29 |
AB2C19D29 |
-87.8 |
2.73 |
-8.39 |
0.55 |
0 |