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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
55401 |
17395337 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-78.5 |
4.5 |
-7.98 |
-0.42 |
0 |
|
|
55402 |
17395338 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-45.6 |
2.2 |
-8.95 |
-0.5 |
0 |
|
|
55403 |
17395341 |
1 |
O2N3C18H19 |
A2B3C18D19 |
-24.53 |
5.86 |
-9.04 |
-0.29 |
0 |
|
|
55404 |
17395342 |
1 |
SN2O3C13H18 |
AB2C3D13E18 |
-111.76 |
9.1 |
-9.68 |
-0.66 |
0 |
|
|
55405 |
17395343 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-144.95 |
5.92 |
-8.67 |
-0.07 |
0 |
|
|
55406 |
17395345 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-18.44 |
4.8 |
-8.9 |
-1.16 |
0 |
|
|
55407 |
17395348 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-178.15 |
1.66 |
-8.56 |
0.0 |
0 |
|
|
55408 |
17395349 |
1 |
SF2O2N3H15C17 |
AB2C2D3E15F17 |
-82.23 |
6.62 |
-9.36 |
-1.02 |
0 |
|
|
55409 |
17395350 |
1 |
ClSO2N3H16C17 |
ABC2D3E16F17 |
-1.65 |
5.15 |
-9.3 |
-0.86 |
0 |
|
|
55410 |
17395351 |
1 |
SO2N3C19H21 |
AB2C3D19E21 |
-14.03 |
6.1 |
-9.19 |
-0.22 |
0 |
|
|
55411 |
17395352 |
1 |
FSO2N3H16C17 |
ABC2D3E16F17 |
-39.38 |
5.0 |
-9.33 |
-0.69 |
0 |
|
|
55412 |
17395353 |
1 |
SN3O4C15H19 |
AB3C4D15E19 |
-78.88 |
9.29 |
-9.25 |
-0.58 |
0 |
|
|
55413 |
17395354 |
1 |
SN2O5C16H20 |
AB2C5D16E20 |
-165.47 |
8.63 |
-9.02 |
-0.72 |
0 |
|
|
55414 |
17395355 |
1 |
BrN2O4H13C14 |
AB2C4D13E14 |
-94.08 |
1.56 |
-8.52 |
-0.9 |
0 |
|
|
55415 |
17395356 |
1 |
SN2O4C20H26 |
AB2C4D20E26 |
-143.79 |
4.83 |
-8.16 |
-0.87 |
0 |
|
|
55416 |
17395362 |
1 |
OSN5C19H27 |
ABC5D19E27 |
-12.13 |
0.73 |
-8.69 |
-0.84 |
0 |
|
|
55417 |
17395363 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-103.05 |
7.92 |
-9.46 |
-0.82 |
0 |
|
|
55418 |
17395367 |
1 |
OF3N4C15H21 |
AB3C4D15E21 |
-188.93 |
7.42 |
-8.81 |
-0.39 |
0 |
|
|
55419 |
17395368 |
1 |
SO2N4H16C18 |
AB2C4D16E18 |
68.91 |
2.24 |
-8.71 |
-0.75 |
0 |
|
|
55420 |
17395369 |
1 |
N2O5C16H18 |
A2B5C16D18 |
-134.2 |
3.42 |
-9.36 |
-0.95 |
0 |
|
|
55421 |
17395372 |
1 |
SN2O4C13H14 |
AB2C4D13E14 |
-89.5 |
2.41 |
-9.58 |
-1.3 |
0 |
|
|
55422 |
17395376 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-75.46 |
6.62 |
-8.91 |
-0.41 |
0 |
|
|
55423 |
17395383 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-63.59 |
6.17 |
-8.79 |
-0.29 |
0 |
|
|
55424 |
17395384 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-88.19 |
5.22 |
-9.12 |
-1.02 |
0 |
|
|
55425 |
17395385 |
1 |
BrN2O3H13C17 |
AB2C3D13E17 |
-57.03 |
6.83 |
-9.11 |
-1.48 |
0 |
|
|
55426 |
17395386 |
1 |
ClSN2O3H11C15 |
ABC2D3E11F15 |
-57.03 |
7.03 |
-9.07 |
-1.72 |
0 |
|
|
55427 |
17395387 |
1 |
FO3N5H12C15 |
AB3C5D12E15 |
-52.86 |
3.95 |
-8.92 |
-0.64 |
0 |
|
|
55428 |
17395388 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-86.7 |
3.96 |
-9.55 |
-0.71 |
0 |
|
|
55429 |
17395389 |
2 |
N3C10H15 |
A3B10C15 |
47.56 |
2.07 |
-8.51 |
0.04 |
0 |
|
|
55430 |
17395390 |
1 |
ClO2N4C19H23 |
AB2C4D19E23 |
-32.41 |
2.78 |
-9.09 |
-1.1 |
0 |
|
|
55431 |
17395391 |
1 |
ClSN2O3C15H19 |
ABC2D3E15F19 |
-101.58 |
4.36 |
-9.24 |
-1.02 |
0 |
|
|
55432 |
17395392 |
1 |
ClSN2O3C15H19 |
ABC2D3E15F19 |
-94.44 |
4.04 |
-9.2 |
-1.04 |
0 |
|
|
55433 |
17395393 |
2 |
NOC7H9 |
ABC7D9 |
-52.47 |
3.84 |
-9.57 |
-0.73 |
0 |
|
|
55434 |
17395394 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-91.32 |
4.8 |
-9.11 |
-1.16 |
0 |
|
|
55435 |
17395395 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-214.68 |
1.96 |
-9.42 |
-0.2 |
0 |
|
|
55436 |
17395396 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-127.69 |
1.95 |
-9.26 |
0.01 |
0 |
|
|
55437 |
17395397 |
1 |
SN3O3H17C19 |
AB3C3D17E19 |
-39.88 |
3.84 |
-9.32 |
-1.0 |
0 |
|
|
55438 |
17395398 |
1 |
NO3C21H21 |
AB3C21D21 |
-59.3 |
3.23 |
-8.96 |
-0.19 |
0 |
|
|
55439 |
17395399 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-100.49 |
1.2 |
-9.31 |
0.13 |
0 |
|
|
55440 |
17395400 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-66.44 |
4.28 |
-8.74 |
-0.11 |
0 |
|
|
55441 |
17395401 |
1 |
SN2O2C19H24 |
AB2C2D19E24 |
-56.64 |
5.93 |
-8.85 |
-0.94 |
0 |
|
|
55442 |
17395402 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-53.41 |
3.54 |
-8.34 |
-0.53 |
0 |
|
|
55443 |
17395403 |
1 |
F2N2O3H14C19 |
A2B2C3D14E19 |
-136.77 |
5.09 |
-9.24 |
-0.99 |
0 |
|
|
55444 |
17395404 |
1 |
FN2S2O3C16H23 |
AB2C2D3E16F23 |
-169.16 |
3.3 |
-8.94 |
-0.86 |
0 |
|
|
55445 |
17395405 |
1 |
N2O3S3C14H22 |
A2B3C3D14E22 |
-112.3 |
3.13 |
-8.88 |
-1.03 |
0 |
|
|
55446 |
17395406 |
1 |
OSN3C16H19 |
ABC3D16E19 |
2.29 |
2.93 |
-9.06 |
-0.98 |
0 |
|
|
55447 |
17395407 |
1 |
ON5C20H27 |
AB5C20D27 |
-11.51 |
6.54 |
-9.76 |
-0.88 |
0 |
|
|
55448 |
17395408 |
1 |
FN2O2H13C14 |
AB2C2D13E14 |
-75.29 |
1.67 |
-8.98 |
-0.6 |
0 |
|
|
55449 |
17395409 |
1 |
FN2O2H13C14 |
AB2C2D13E14 |
-72.39 |
4.68 |
-9.17 |
-0.65 |
0 |
|
|
55450 |
17395411 |
1 |
BrN2O3C15H15 |
AB2C3D15E15 |
-66.78 |
4.68 |
-9.06 |
-0.43 |
0 |
|
|
55451 |
17395412 |
1 |
BrN2O3C16H17 |
AB2C3D16E17 |
-67.75 |
6.12 |
-9.09 |
-0.45 |
0 |
|
|
55452 |
17395413 |
1 |
ON5H17C20 |
AB5C17D20 |
89.3 |
3.04 |
-9.03 |
-0.81 |
0 |
|
|
55453 |
17395415 |
1 |
ON5H15C19 |
AB5C15D19 |
104.71 |
3.02 |
-9.35 |
-0.82 |
0 |
|
|
55454 |
17395416 |
2 |
ON2H9C10 |
AB2C9D10 |
38.04 |
6.87 |
-9.29 |
-0.48 |
0 |
|
|
55455 |
17395417 |
1 |
SO3N4H16C17 |
AB3C4D16E17 |
19.61 |
4.57 |
-8.94 |
-1.38 |
0 |
|
|
55456 |
17395418 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-84.7 |
2.45 |
-9.43 |
-0.49 |
0 |
|
|
55457 |
17395419 |
1 |
BrN2O2C15H15 |
AB2C2D15E15 |
-28.52 |
4.12 |
-9.15 |
-0.43 |
0 |
|
|
55458 |
17395420 |
1 |
BrN2O2H13C14 |
AB2C2D13E14 |
-24.71 |
4.69 |
-9.15 |
-0.67 |
0 |
|
|
55459 |
17395421 |
3 |
NOH5C6 |
ABC5D6 |
-33.31 |
4.09 |
-9.06 |
-1.02 |
0 |
|
|
55460 |
17395422 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-52.95 |
2.81 |
-8.6 |
-0.34 |
0 |
|
|
55461 |
17395423 |
1 |
BrN2O2H13C14 |
AB2C2D13E14 |
-30.44 |
3.91 |
-9.12 |
-0.53 |
0 |
|
|
55462 |
17395424 |
3 |
NOH5C6 |
ABC5D6 |
-39.0 |
5.96 |
-9.01 |
-1.03 |
0 |
|
|
55463 |
17395425 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-35.8 |
6.97 |
-8.69 |
-0.36 |
0 |
|
|
55464 |
17395426 |
2 |
NOC8H9 |
ABC8D9 |
-41.62 |
4.42 |
-8.85 |
-0.17 |
0 |
|
|
55465 |
17395427 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-104.34 |
5.13 |
-8.44 |
0.29 |
0 |
|
|
55466 |
17395428 |
2 |
NOH8C9 |
ABC8D9 |
0.46 |
4.47 |
-8.54 |
-0.84 |
0 |
|
|
55467 |
17395429 |
1 |
OS2N3C18H19 |
AB2C3D18E19 |
39.9 |
3.91 |
-8.17 |
-1.08 |
0 |
|
|
55468 |
17395430 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-81.57 |
2.29 |
-9.29 |
-0.53 |
0 |
|
|
55469 |
17395431 |
1 |
N4O5C22H24 |
A4B5C22D24 |
-131.39 |
6.34 |
-8.68 |
-0.7 |
0 |
|
|
55470 |
17395432 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-18.0 |
6.01 |
-9.06 |
-0.92 |
0 |
|
|
55471 |
17395433 |
1 |
BrNSO2C15H16 |
ABCD2E15F16 |
-32.21 |
3.12 |
-9.58 |
-0.37 |
0 |
|
|
55472 |
17395434 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-65.81 |
2.32 |
-9.6 |
-0.33 |
0 |
|
|
55473 |
17395436 |
1 |
OF3N3C17H24 |
AB3C3D17E24 |
-211.95 |
7.98 |
-8.89 |
-0.43 |
0 |
|
|
55474 |
17395437 |
1 |
OSN3C18H21 |
ABC3D18E21 |
31.56 |
3.63 |
-8.5 |
-0.73 |
0 |
|
|
55475 |
17395438 |
1 |
N2O3C22H22 |
A2B3C22D22 |
-52.07 |
6.72 |
-9.2 |
-1.66 |
0 |
|
|
55476 |
17395439 |
1 |
SN3O3H17C18 |
AB3C3D17E18 |
-30.57 |
5.95 |
-8.92 |
-0.45 |
0 |
|
|
55477 |
17395440 |
1 |
ClN2O3C16H19 |
AB2C3D16E19 |
-120.06 |
5.68 |
-9.24 |
-0.81 |
0 |
|
|
55478 |
17395441 |
2 |
ClNOC7H9 |
ABCD7E9 |
-104.03 |
3.01 |
-9.59 |
-1.01 |
0 |
|
|
55479 |
17395442 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-42.81 |
1.22 |
-9.24 |
-0.58 |
0 |
|
|
55480 |
17395443 |
1 |
OF3N3C16H16 |
AB3C3D16E16 |
-147.43 |
4.72 |
-9.33 |
-0.43 |
0 |
|
|
55481 |
17395444 |
1 |
ON3C16H19 |
AB3C16D19 |
8.38 |
4.75 |
-9.0 |
-0.19 |
0 |
|
|
55482 |
17395445 |
1 |
ClFN2O2C17H24 |
ABC2D2E17F24 |
-149.87 |
0.42 |
-8.92 |
-0.79 |
0 |
|
|
55483 |
17395446 |
1 |
N3O3H17C19 |
A3B3C17D19 |
-9.03 |
3.48 |
-8.71 |
-0.7 |
0 |
|
|
55484 |
17395447 |
1 |
NSO4C19H21 |
ABC4D19E21 |
-121.94 |
2.75 |
-9.24 |
-0.29 |
0 |
|
|
55485 |
17395448 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-14.34 |
3.43 |
-8.21 |
-0.89 |
0 |
|
|
55486 |
17395449 |
1 |
O2N3H17C18 |
A2B3C17D18 |
-22.74 |
1.56 |
-9.39 |
-0.98 |
0 |
|
|
55487 |
17395450 |
1 |
NSO3H9C13 |
ABC3D9E13 |
-24.08 |
3.99 |
-8.97 |
-1.7 |
0 |
|
|
55488 |
17395451 |
1 |
NO2S2H9C13 |
AB2C2D9E13 |
12.03 |
3.97 |
-9.02 |
-1.69 |
0 |
|
|
55489 |
17395452 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
-48.97 |
1.81 |
-8.73 |
-0.14 |
0 |
|
|
55490 |
17395453 |
1 |
SN3O3H17C19 |
AB3C3D17E19 |
-15.66 |
1.48 |
-9.24 |
-1.26 |
0 |
|
|
55491 |
17395454 |
1 |
ON2S2C13H16 |
AB2C2D13E16 |
-5.97 |
4.08 |
-9.21 |
-1.4 |
0 |
|
|
55492 |
17395455 |
1 |
O2S2N4H12C15 |
A2B2C4D12E15 |
33.57 |
2.23 |
-9.39 |
-1.64 |
0 |
|
|
55493 |
17395456 |
1 |
ClN3O3C15H18 |
AB3C3D15E18 |
-131.68 |
8.67 |
-8.82 |
-0.48 |
0 |
|
|
55494 |
17395457 |
1 |
ClN3O4C15H18 |
AB3C4D15E18 |
-157.62 |
2.63 |
-8.6 |
-0.35 |
0 |
|
|
55495 |
17395459 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-89.43 |
5.76 |
-8.61 |
-0.25 |
0 |
|
|
55496 |
17395460 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-93.32 |
2.32 |
-9.3 |
-0.62 |
0 |
|
|
55497 |
17395462 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-22.99 |
8.57 |
-8.46 |
-0.55 |
0 |
|
|
55498 |
17395469 |
1 |
ClNO5C12H14 |
ABC5D12E14 |
-184.47 |
3.18 |
-8.91 |
-0.66 |
0 |
|
|
55499 |
17395470 |
1 |
O2N4C19H20 |
A2B4C19D20 |
-18.24 |
3.05 |
-9.26 |
-0.72 |
0 |
|
|
55500 |
17395472 |
1 |
N3O3H19C21 |
A3B3C19D21 |
-36.26 |
1.4 |
-9.14 |
-0.92 |
0 |