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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
435388 |
135191347 |
1 |
O2F3N6C25H27 |
A2B3C6D25E27 |
-146.24 |
5.85 |
-9.12 |
-1.17 |
0 |
|
|
435389 |
135191348 |
1 |
N2F3O4C23H25 |
A2B3C4D23E25 |
-294.8 |
5.53 |
-8.75 |
-1.1 |
0 |
|
|
435390 |
135191350 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-90.02 |
7.05 |
-9.4 |
-0.6 |
0 |
|
|
435391 |
135191351 |
1 |
N3O5C24H35 |
A3B5C24D35 |
-203.6 |
6.63 |
-8.97 |
-0.35 |
0 |
|
|
435392 |
135191352 |
1 |
NO3F4H15C19 |
AB3C4D15E19 |
-282.76 |
3.17 |
-9.35 |
-1.09 |
0 |
|
|
435393 |
135191353 |
1 |
O2N6C17H22 |
A2B6C17D22 |
-17.86 |
5.64 |
-8.88 |
-0.77 |
0 |
|
|
435394 |
135191354 |
1 |
OF3N3C18H20 |
AB3C3D18E20 |
-162.45 |
7.51 |
-9.51 |
-0.57 |
0 |
|
|
435395 |
135191356 |
1 |
N3O5C25H35 |
A3B5C25D35 |
-200.08 |
5.57 |
-9.11 |
-0.26 |
0 |
|
|
435397 |
135191358 |
1 |
ON2C22H44 |
AB2C22D44 |
-130.39 |
4.03 |
-8.46 |
1.48 |
0 |
|
|
435398 |
135191359 |
1 |
SN2O2C17H18 |
AB2C2D17E18 |
-12.29 |
1.81 |
-8.24 |
-0.04 |
0 |
|
|
435399 |
135191361 |
1 |
NO4C5H7 |
AB4C5D7 |
-117.09 |
2.14 |
-10.36 |
-1.43 |
0 |
|
|
435400 |
135191362 |
1 |
N3O5C20H27 |
A3B5C20D27 |
-201.36 |
5.07 |
-8.57 |
-0.3 |
0 |
|
|
435401 |
135191367 |
1 |
N3O5C25H39 |
A3B5C25D39 |
-217.14 |
6.34 |
-8.88 |
0.05 |
0 |
|
|
435402 |
135191370 |
1 |
NF4O5H17C19 |
AB4C5D17E19 |
-346.05 |
4.11 |
-9.12 |
-1.55 |
0 |
|
|
435403 |
135191371 |
1 |
NO2C9H17 |
AB2C9D17 |
-42.67 |
2.36 |
-9.39 |
-0.73 |
0 |
|
|
435404 |
135191372 |
1 |
ClO2N5C18H18 |
AB2C5D18E18 |
23.02 |
2.95 |
-9.1 |
-0.84 |
0 |
|
|
435405 |
135191375 |
1 |
NF4O5H15C18 |
AB4C5D15E18 |
-382.2 |
6.88 |
-9.59 |
-1.16 |
0 |
|
|
435406 |
135191377 |
2 |
NOSC8H8 |
ABCD8E8 |
46.78 |
5.38 |
-8.69 |
-1.2 |
0 |
|
|
435408 |
135191387 |
1 |
N3O5C22H33 |
A3B5C22D33 |
-222.05 |
6.41 |
-8.94 |
-0.2 |
0 |
|
|
435409 |
135191388 |
1 |
N3O6C22H27 |
A3B6C22D27 |
-115.52 |
5.34 |
-9.2 |
-0.77 |
0 |
|
|
435410 |
135191389 |
1 |
N3O5C24H29 |
A3B5C24D29 |
-154.02 |
6.11 |
-8.94 |
-0.35 |
0 |
|
|
435411 |
135191391 |
1 |
O3N5C11H17 |
A3B5C11D17 |
-83.31 |
12.1 |
-9.07 |
-0.09 |
0 |
|
|
435412 |
135191394 |
1 |
SO3C15H22 |
AB3C15D22 |
-82.71 |
2.49 |
-8.26 |
-0.13 |
0 |
|
|
435413 |
135191396 |
1 |
NC17H21 |
AB17C21 |
78.43 |
2.79 |
-8.2 |
0.01 |
0 |
|
|
435414 |
135191397 |
1 |
O3H10C15 |
A3B10C15 |
-43.72 |
3.43 |
-10.25 |
-2.07 |
0 |
|
|
435415 |
135191401 |
1 |
O3C21H26 |
A3B21C26 |
-13.5 |
2.62 |
-8.64 |
-0.3 |
0 |
|
|
435416 |
135191402 |
1 |
O3C21H26 |
A3B21C26 |
-23.7 |
5.49 |
-9.05 |
-0.13 |
0 |
|
|
435417 |
135191403 |
1 |
ClSC13H29 |
ABC13D29 |
-67.36 |
7.2 |
-8.15 |
0.25 |
0 |
|
|
435418 |
135191406 |
1 |
O3C23H24 |
A3B23C24 |
-59.29 |
3.32 |
-8.27 |
-0.72 |
0 |
|
|
435419 |
135191413 |
1 |
FO3N5C27H34 |
AB3C5D27E34 |
-127.05 |
3.71 |
-8.19 |
-0.32 |
0 |
|
|
435420 |
135191420 |
1 |
OSN4C13H16 |
ABC4D13E16 |
29.99 |
0.67 |
-8.76 |
-0.24 |
0 |
|
|
435421 |
135191438 |
1 |
O3N5C24H29 |
A3B5C24D29 |
-86.72 |
8.01 |
-8.33 |
-1.09 |
0 |
|
|
435422 |
135191439 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-51.08 |
3.8 |
-8.15 |
-0.96 |
0 |
|
|
435423 |
135191440 |
1 |
FO2N4C23H29 |
AB2C4D23E29 |
-89.57 |
3.69 |
-8.29 |
-0.85 |
0 |
|
|
435424 |
135191441 |
1 |
OSN4C14H14 |
ABC4D14E14 |
64.72 |
4.7 |
-8.8 |
-1.32 |
0 |
|
|
435425 |
135191442 |
1 |
FO2N4C22H25 |
AB2C4D22E25 |
-95.28 |
6.46 |
-8.22 |
-1.02 |
0 |
|
|
435426 |
135191443 |
1 |
SO2N8C20H20 |
AB2C8D20E20 |
84.19 |
7.77 |
-8.37 |
-0.85 |
0 |
|
|
435427 |
135191447 |
1 |
SO8C23H42 |
AB8C23D42 |
-404.92 |
2.35 |
-8.7 |
0.52 |
0 |
|
|
435428 |
135191448 |
1 |
FO3N4C26H33 |
AB3C4D26E33 |
-170.36 |
0.87 |
-8.23 |
-1.15 |
0 |
|
|
435429 |
135191449 |
1 |
FN4O4C27H37 |
AB4C4D27E37 |
-223.96 |
1.09 |
-8.21 |
-0.79 |
0 |
|
|
435430 |
135191450 |
1 |
SO4C8H14 |
AB4C8D14 |
-193.65 |
4.89 |
-8.84 |
0.35 |
0 |
|
|
435431 |
135191461 |
1 |
F3O3N5C23H24 |
A3B3C5D23E24 |
-221.42 |
8.94 |
-9.45 |
-0.9 |
0 |
|
|
435432 |
135191462 |
1 |
SO3C10H10 |
AB3C10D10 |
-91.28 |
4.94 |
-9.59 |
-0.95 |
0 |
|
|
435433 |
135191463 |
1 |
N2O2C17H30 |
A2B2C17D30 |
-124.07 |
3.43 |
-9.67 |
1.06 |
0 |
|
|
435434 |
135191464 |
6 |
NC2H3 |
AB2C3 |
67.56 |
10.02 |
-8.39 |
-0.69 |
0 |
|
|
435435 |
135191465 |
1 |
N2C13H26 |
A2B13C26 |
-11.11 |
1.48 |
-9.33 |
0.94 |
0 |
|
|
435436 |
135191466 |
1 |
F3N6C25H39 |
A3B6C25D39 |
-140.71 |
9.38 |
-8.5 |
-0.08 |
0 |
|
|
435437 |
135191467 |
1 |
ON3C16H25 |
AB3C16D25 |
-42.48 |
3.97 |
-8.56 |
0.15 |
0 |
|
|
435438 |
135191468 |
1 |
ClNO3C9H10 |
ABC3D9E10 |
-115.38 |
7.97 |
-9.4 |
-1.12 |
0 |
|
|
435439 |
135191469 |
1 |
ON3C11H23 |
AB3C11D23 |
-37.59 |
1.19 |
-8.52 |
1.16 |
0 |
|
|
435440 |
135191470 |
1 |
F3O4N6C21H21 |
A3B4C6D21E21 |
-232.85 |
5.08 |
-9.74 |
-1.32 |
0 |
|
|
435441 |
135191472 |
1 |
F3O4N7C20H22 |
A3B4C7D20E22 |
-186.99 |
9.9 |
-8.85 |
-1.11 |
0 |
|
|
435442 |
135191474 |
1 |
ClN5H14C18 |
AB5C14D18 |
109.75 |
3.2 |
-8.79 |
-0.61 |
0 |
|
|
435443 |
135191475 |
1 |
FON7H26C28 |
ABC7D26E28 |
36.46 |
3.97 |
-8.17 |
-0.46 |
0 |
|
|
435444 |
135191476 |
1 |
NC22H29 |
AB22C29 |
110.74 |
1.66 |
-8.39 |
-0.01 |
0 |
|
|
435445 |
135191477 |
1 |
N8H20C21 |
A8B20C21 |
150.88 |
3.04 |
-8.4 |
-0.51 |
0 |
|
|
435446 |
135191478 |
1 |
N3C7H11 |
A3B7C11 |
44.6 |
2.47 |
-8.76 |
-0.12 |
0 |
|
|
435447 |
135191480 |
1 |
SO3N7C30H39 |
AB3C7D30E39 |
-14.52 |
6.21 |
-8.18 |
-0.57 |
0 |
|
|
435448 |
135191485 |
1 |
NO2C13H17 |
AB2C13D17 |
-14.47 |
3.36 |
-9.1 |
-1.33 |
0 |
|
|
435449 |
135191493 |
1 |
N4C5H8 |
A4B5C8 |
49.96 |
6.29 |
-8.37 |
-0.39 |
0 |
|
|
435450 |
135191494 |
1 |
ClN5H10C12 |
AB5C10D12 |
84.74 |
2.77 |
-8.85 |
-0.73 |
0 |
|
|
435451 |
135191495 |
1 |
ClIN4H6C7 |
ABC4D6E7 |
68.23 |
4.16 |
-8.76 |
-1.19 |
0 |
|
|
435452 |
135191498 |
1 |
OSN4C14H18 |
ABC4D14E18 |
25.82 |
3.65 |
-8.62 |
-0.33 |
0 |
|
|
435453 |
135191499 |
1 |
ClO2N6C22H27 |
AB2C6D22E27 |
-42.3 |
4.95 |
-8.92 |
-0.7 |
0 |
|
|
435454 |
135191500 |
1 |
NOSC8H11 |
ABCD8E11 |
-15.9 |
2.05 |
-8.65 |
0.0 |
0 |
|
|
435455 |
135191501 |
1 |
ClIO2N5C17H23 |
ABC2D5E17F23 |
-58.4 |
4.37 |
-8.79 |
-1.24 |
0 |
|
|
435456 |
135191504 |
1 |
ON7C16H19 |
AB7C16D19 |
56.88 |
4.97 |
-8.29 |
-0.36 |
0 |
|
|
435457 |
135191506 |
1 |
O3N5F6H23C24 |
A3B5C6D23E24 |
-382.91 |
12.35 |
-9.54 |
-1.1 |
0 |
|
|
435458 |
135191507 |
1 |
Cl2F3O3N5H22C23 |
A2B3C3D5E22F23 |
-238.63 |
10.4 |
-9.52 |
-0.97 |
0 |
|
|
435459 |
135191508 |
1 |
F2N3O4H17C21 |
A2B3C4D17E21 |
-156.28 |
4.11 |
-8.75 |
-1.0 |
0 |
|
|
435460 |
135191509 |
1 |
O2N3C6H9 |
A2B3C6D9 |
-65.49 |
2.5 |
-9.46 |
-0.57 |
0 |
|
|
435461 |
135191516 |
1 |
N2C19H26 |
A2B19C26 |
28.0 |
3.26 |
-7.92 |
0.62 |
0 |
|
|
435462 |
135191521 |
1 |
ON2C15H24 |
AB2C15D24 |
-43.0 |
2.65 |
-8.72 |
0.03 |
0 |
|
|
435463 |
135191522 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-115.63 |
5.65 |
-8.84 |
-1.0 |
0 |
|
|
435464 |
135191527 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-134.66 |
2.96 |
-8.86 |
-1.14 |
0 |
|
|
435465 |
135191528 |
4 |
NOC7H9 |
ABC7D9 |
-102.12 |
5.05 |
-8.11 |
-0.24 |
0 |
|
|
435466 |
135191532 |
1 |
ON3C14H17 |
AB3C14D17 |
5.69 |
5.18 |
-9.05 |
-1.07 |
0 |
|
|
435467 |
135191541 |
1 |
NC14H21 |
AB14C21 |
2.88 |
3.45 |
-7.46 |
0.56 |
0 |
|
|
435468 |
135191557 |
1 |
O3N4H12C18 |
A3B4C12D18 |
11.78 |
2.91 |
-9.13 |
-1.54 |
0 |
|
|
435469 |
135191559 |
1 |
N4O5C20H24 |
A4B5C20D24 |
-134.57 |
3.98 |
-8.54 |
-0.62 |
0 |
|
|
435470 |
135191562 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-40.63 |
4.73 |
-8.71 |
-0.91 |
0 |
|
|
435471 |
135191568 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-37.22 |
5.61 |
-8.83 |
-1.06 |
0 |
|
|
435472 |
135191569 |
3 |
NC2H3 |
AB2C3 |
57.36 |
2.92 |
-9.3 |
-0.84 |
0 |
|
|
435473 |
135191571 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-80.3 |
5.76 |
-8.69 |
-0.94 |
0 |
|
|
435474 |
135191573 |
1 |
N3O4C23H23 |
A3B4C23D23 |
-71.28 |
6.92 |
-8.54 |
-0.84 |
0 |
|
|
435475 |
135191574 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-115.79 |
6.02 |
-8.41 |
-0.43 |
0 |
|
|
435476 |
135191577 |
1 |
N3O4C19H21 |
A3B4C19D21 |
-80.53 |
6.69 |
-8.66 |
-1.0 |
0 |
|
|
435477 |
135191581 |
1 |
N2O5H26C27 |
A2B5C26D27 |
-107.54 |
4.06 |
-9.0 |
-1.41 |
0 |
|
|
435478 |
135191582 |
1 |
N3O4H25C26 |
A3B4C25D26 |
-59.24 |
3.45 |
-9.02 |
-1.09 |
0 |
|
|
435479 |
135191583 |
1 |
N3O6C26H29 |
A3B6C26D29 |
-164.03 |
3.61 |
-8.87 |
-0.69 |
0 |
|
|
435480 |
135191585 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-33.07 |
7.79 |
-8.31 |
-0.7 |
0 |
|
|
435481 |
135191586 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-93.97 |
8.13 |
-8.85 |
-1.06 |
0 |
|
|
435482 |
135191589 |
1 |
O3N4H12C18 |
A3B4C12D18 |
14.48 |
5.26 |
-9.16 |
-1.48 |
0 |
|
|
435483 |
135191593 |
1 |
FN5O5C26H28 |
AB5C5D26E28 |
-73.82 |
6.82 |
-8.45 |
-1.02 |
0 |
|
|
435484 |
135191596 |
2 |
N2C6H9 |
A2B6C9 |
41.82 |
4.6 |
-9.62 |
-0.68 |
0 |
|
|
435485 |
135191600 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-86.67 |
0.97 |
-8.62 |
-1.06 |
0 |
|
|
435486 |
135191604 |
1 |
FIN3O4H15C21 |
ABC3D4E15F21 |
-81.86 |
7.99 |
-9.04 |
-1.3 |
0 |
|
|
435487 |
135191606 |
1 |
FN3O3H14C20 |
AB3C3D14E20 |
-55.35 |
4.11 |
-8.96 |
-1.3 |
0 |
|
|
435488 |
135191607 |
1 |
ISN4O4H21C22 |
ABC4D4E21F22 |
-28.96 |
7.24 |
-8.58 |
-1.27 |
0 |
|
|
435489 |
135191609 |
1 |
O3N4C30H32 |
A3B4C30D32 |
-27.25 |
5.19 |
-8.88 |
-1.17 |
0 |