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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
70452 |
48413371 |
1 |
N2S2O6C17H26 |
A2B2C6D17E26 |
-215.84 |
6.35 |
-9.72 |
-1.15 |
0 |
|
|
70453 |
48413372 |
2 |
NSO3C8H12 |
ABC3D8E12 |
-214.5 |
6.62 |
-10.0 |
-1.3 |
0 |
|
|
70454 |
48413373 |
1 |
SN3O5C15H23 |
AB3C5D15E23 |
-188.15 |
2.73 |
-9.66 |
-0.36 |
0 |
|
|
70455 |
48413374 |
1 |
SN2O6C16H22 |
AB2C6D16E22 |
-154.12 |
3.47 |
-10.06 |
-1.61 |
0 |
|
|
70456 |
48413375 |
1 |
SN2O7C16H22 |
AB2C7D16E22 |
-183.0 |
4.87 |
-9.81 |
-1.92 |
0 |
|
|
70457 |
48413378 |
1 |
SN2O5C19H26 |
AB2C5D19E26 |
-197.34 |
3.58 |
-9.42 |
-0.82 |
0 |
|
|
70458 |
48413379 |
1 |
S2N3O4C15H19 |
A2B3C4D15E19 |
-81.46 |
3.56 |
-9.64 |
-1.99 |
0 |
|
|
70459 |
48413380 |
1 |
SN2O6C16H22 |
AB2C6D16E22 |
-154.15 |
5.32 |
-9.95 |
-1.53 |
0 |
|
|
70460 |
48413381 |
1 |
N2S2O5C16H24 |
A2B2C5D16E24 |
-187.93 |
6.45 |
-9.6 |
-1.14 |
0 |
|
|
70461 |
48413382 |
1 |
SN2O7C16H22 |
AB2C7D16E22 |
-189.81 |
8.3 |
-9.75 |
-1.4 |
0 |
|
|
70462 |
48413383 |
1 |
ClSN2O6C16H21 |
ABC2D6E16F21 |
-159.49 |
5.92 |
-10.09 |
-1.81 |
0 |
|
|
70463 |
48413384 |
1 |
SN2O6C18H26 |
AB2C6D18E26 |
-230.95 |
11.04 |
-9.11 |
-0.62 |
0 |
|
|
70464 |
48413385 |
1 |
SN2O5C18H24 |
AB2C5D18E24 |
-196.66 |
2.64 |
-9.52 |
-0.89 |
0 |
|
|
70465 |
48413386 |
1 |
N2S2O6C15H22 |
A2B2C6D15E22 |
-212.62 |
6.83 |
-10.03 |
-1.42 |
0 |
|
|
70466 |
48413387 |
1 |
SN2O4C19H24 |
AB2C4D19E24 |
-117.51 |
8.48 |
-9.3 |
-1.3 |
0 |
|
|
70467 |
48413390 |
1 |
SN3O6C17H21 |
AB3C6D17E21 |
-209.85 |
4.17 |
-9.55 |
-1.5 |
0 |
|
|
70468 |
48413391 |
1 |
N2S2O6C15H22 |
A2B2C6D15E22 |
-214.75 |
2.65 |
-9.92 |
-1.17 |
0 |
|
|
70469 |
48413392 |
1 |
SN2O5C17H24 |
AB2C5D17E24 |
-194.71 |
6.28 |
-9.53 |
-0.72 |
0 |
|
|
70470 |
48413394 |
1 |
SN2O4C16H20 |
AB2C4D16E20 |
-107.03 |
4.17 |
-9.93 |
-1.23 |
0 |
|
|
70471 |
48413395 |
1 |
SN2O4C16H20 |
AB2C4D16E20 |
-105.99 |
4.7 |
-9.98 |
-1.41 |
0 |
|
|
70472 |
48413396 |
1 |
O2S2N5C16H21 |
A2B2C5D16E21 |
-3.67 |
4.51 |
-8.62 |
-0.54 |
0 |
|
|
70473 |
48413397 |
1 |
SN2O6C18H26 |
AB2C6D18E26 |
-230.9 |
4.03 |
-8.85 |
-0.67 |
0 |
|
|
70474 |
48413399 |
1 |
O2S2N4C19H22 |
A2B2C4D19E22 |
-7.85 |
5.08 |
-8.48 |
-0.36 |
0 |
|
|
70475 |
48413400 |
1 |
FO2S2N3C19H20 |
AB2C2D3E19F20 |
-72.09 |
4.85 |
-8.74 |
-0.85 |
0 |
|
|
70476 |
48413401 |
1 |
O2S2N5C15H17 |
A2B2C5D15E17 |
10.8 |
4.53 |
-8.67 |
-0.52 |
0 |
|
|
70477 |
48413402 |
1 |
O2S2N4C19H28 |
A2B2C4D19E28 |
-50.8 |
3.23 |
-8.46 |
-0.32 |
0 |
|
|
70478 |
48413407 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-45.98 |
4.41 |
-8.44 |
-0.32 |
0 |
|
|
70479 |
48413408 |
1 |
S2O3N5C18H21 |
A2B3C5D18E21 |
-56.34 |
5.71 |
-8.4 |
-0.5 |
0 |
|
|
70480 |
48413410 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-48.79 |
4.24 |
-8.57 |
-0.43 |
0 |
|
|
70481 |
48413412 |
2 |
OSN2C9H14 |
ABC2D9E14 |
-54.09 |
3.91 |
-8.44 |
-0.32 |
0 |
|
|
70482 |
48413413 |
1 |
O2S2N3C20H23 |
A2B2C3D20E23 |
-17.12 |
3.17 |
-8.62 |
-0.47 |
0 |
|
|
70483 |
48413414 |
1 |
O2S2N5C16H19 |
A2B2C5D16E19 |
6.1 |
6.64 |
-8.41 |
-0.28 |
0 |
|
|
70484 |
48413415 |
1 |
FO2S2N3C19H20 |
AB2C2D3E19F20 |
-64.35 |
7.1 |
-8.46 |
-0.93 |
0 |
|
|
70485 |
48413416 |
1 |
FO2S2N3C19H20 |
AB2C2D3E19F20 |
-68.3 |
6.92 |
-8.67 |
-0.95 |
0 |
|
|
70486 |
48413417 |
1 |
S2O3N4C19H20 |
A2B3C4D19E20 |
-49.11 |
4.54 |
-8.51 |
-1.22 |
0 |
|
|
70487 |
48413418 |
1 |
F2O2S2N3H17C18 |
A2B2C2D3E17F18 |
-100.14 |
4.84 |
-8.59 |
-1.33 |
0 |
|
|
70488 |
48413421 |
1 |
S2N3O3C20H21 |
A2B3C3D20E21 |
-48.59 |
4.45 |
-8.49 |
-0.62 |
0 |
|
|
70489 |
48413422 |
1 |
O2N3S3C17H19 |
A2B3C3D17E19 |
-15.93 |
6.19 |
-8.64 |
-0.95 |
0 |
|
|
70490 |
48413423 |
1 |
O2S2N5C18H23 |
A2B2C5D18E23 |
-21.67 |
6.77 |
-8.64 |
-0.4 |
0 |
|
|
70491 |
48413424 |
2 |
OSN2C8H12 |
ABC2D8E12 |
-45.43 |
3.92 |
-8.51 |
-0.37 |
0 |
|
|
70492 |
48413427 |
1 |
S2O3N4C18H26 |
A2B3C4D18E26 |
-86.3 |
3.22 |
-8.6 |
-0.47 |
0 |
|
|
70493 |
48413428 |
1 |
S2O3N4C16H22 |
A2B3C4D16E22 |
-74.68 |
4.05 |
-8.6 |
-0.43 |
0 |
|
|
70494 |
48413430 |
1 |
ClO2S2N3C18H18 |
AB2C2D3E18F18 |
-15.44 |
2.41 |
-8.58 |
-1.03 |
0 |
|
|
70495 |
48413431 |
2 |
SN2O2C9H9 |
AB2C2D9E9 |
-7.18 |
4.44 |
-8.7 |
-2.0 |
0 |
|
|
70496 |
48413432 |
1 |
S2N3O3C19H21 |
A2B3C3D19E21 |
-49.54 |
4.67 |
-8.54 |
-0.58 |
0 |
|
|
70497 |
48413433 |
2 |
SN2O2C9H9 |
AB2C2D9E9 |
-6.7 |
7.38 |
-8.44 |
-1.94 |
0 |
|
|
70498 |
48413434 |
1 |
O2S2N3C19H21 |
A2B2C3D19E21 |
-17.19 |
4.46 |
-8.55 |
-0.6 |
0 |
|
|
70499 |
48413435 |
1 |
F2O2S2N3H17C18 |
A2B2C2D3E17F18 |
-103.66 |
6.06 |
-8.44 |
-1.26 |
0 |
|
|
70500 |
48413436 |
1 |
ClO2S2N4C17H17 |
AB2C2D4E17F17 |
-4.88 |
4.04 |
-8.53 |
-1.49 |
0 |
|
|
70501 |
48413437 |
1 |
O2S2N4H18C19 |
A2B2C4D18E19 |
27.5 |
2.94 |
-8.68 |
-1.28 |
0 |
|
|
70502 |
48413440 |
1 |
FO2S2N3C18H18 |
AB2C2D3E18F18 |
-54.27 |
5.68 |
-8.55 |
-1.06 |
0 |
|
|
70503 |
48413441 |
1 |
F2O2S2N3H17C18 |
A2B2C2D3E17F18 |
-96.12 |
1.83 |
-8.6 |
-1.28 |
0 |
|
|
70504 |
48413442 |
1 |
O2S2N3C19H21 |
A2B2C3D19E21 |
-20.87 |
6.77 |
-8.69 |
-0.65 |
0 |
|
|
70505 |
48413444 |
1 |
FO2S2N3C18H18 |
AB2C2D3E18F18 |
-56.59 |
5.81 |
-8.46 |
-1.02 |
0 |
|
|
70506 |
48413445 |
1 |
ClO2S2N3C18H18 |
AB2C2D3E18F18 |
-16.66 |
5.91 |
-8.57 |
-1.06 |
0 |
|
|
70507 |
48413447 |
1 |
O2S2N3C20H23 |
A2B2C3D20E23 |
-30.11 |
4.04 |
-8.64 |
-0.6 |
0 |
|
|
70508 |
48413448 |
1 |
O2S2N3C20H23 |
A2B2C3D20E23 |
-28.01 |
6.96 |
-8.39 |
-0.56 |
0 |
|
|
70509 |
48413450 |
1 |
S2N3O3C19H21 |
A2B3C3D19E21 |
-50.12 |
8.79 |
-8.3 |
-0.69 |
0 |
|
|
70510 |
48413451 |
1 |
ClO2S2N3C18H18 |
AB2C2D3E18F18 |
-13.62 |
5.56 |
-8.43 |
-1.01 |
0 |
|
|
70511 |
48413452 |
1 |
BrClN3H9C11 |
ABC3D9E11 |
66.87 |
3.5 |
-9.21 |
-0.8 |
0 |
|
|
70512 |
48413455 |
1 |
O2N3C24H31 |
A2B3C24D31 |
-56.8 |
2.86 |
-8.55 |
-0.79 |
0 |
|
|
70513 |
48413456 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-68.54 |
4.84 |
-8.67 |
-1.05 |
0 |
|
|
70514 |
48413457 |
1 |
ON5C21H33 |
AB5C21D33 |
1.35 |
3.33 |
-8.55 |
-0.65 |
0 |
|
|
70515 |
48413458 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-136.13 |
2.29 |
-8.61 |
-0.16 |
0 |
|
|
70516 |
48413459 |
1 |
ON5C21H35 |
AB5C21D35 |
-31.44 |
4.88 |
-8.66 |
-0.51 |
0 |
|
|
70517 |
48413460 |
1 |
OSN3C21H29 |
ABC3D21E29 |
-8.69 |
3.31 |
-8.49 |
-0.72 |
0 |
|
|
70518 |
48413461 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-34.81 |
6.95 |
-8.73 |
-1.49 |
0 |
|
|
70519 |
48413462 |
1 |
ON5C24H35 |
AB5C24D35 |
-2.94 |
5.28 |
-8.36 |
-0.9 |
0 |
|
|
70520 |
48413463 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-115.29 |
3.92 |
-8.68 |
-1.65 |
0 |
|
|
70521 |
48413465 |
1 |
ClN3O4C19H30 |
AB3C4D19E30 |
-172.97 |
3.78 |
-8.62 |
-0.83 |
0 |
|
|
70522 |
48413466 |
1 |
FON4C22H31 |
ABC4D22E31 |
-46.08 |
3.28 |
-8.54 |
-0.89 |
0 |
|
|
70523 |
48413468 |
1 |
FON4C19H27 |
ABC4D19E27 |
-54.98 |
5.0 |
-8.65 |
-0.75 |
0 |
|
|
70524 |
48413469 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-80.47 |
3.29 |
-8.61 |
-0.57 |
0 |
|
|
70525 |
48413470 |
1 |
ON5C24H33 |
AB5C24D33 |
14.9 |
4.57 |
-8.67 |
-0.76 |
0 |
|
|
70526 |
48413471 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-97.41 |
5.22 |
-8.38 |
-1.05 |
0 |
|
|
70527 |
48413472 |
1 |
SO2N4C21H30 |
AB2C4D21E30 |
-54.87 |
7.38 |
-8.38 |
-0.8 |
0 |
|
|
70528 |
48413473 |
1 |
SO2N3C19H29 |
AB2C3D19E29 |
-94.46 |
2.72 |
-8.29 |
-0.26 |
0 |
|
|
70529 |
48413474 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-121.62 |
3.17 |
-8.73 |
-0.95 |
0 |
|
|
70530 |
48413475 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-73.09 |
6.73 |
-8.63 |
-0.88 |
0 |
|
|
70531 |
48413476 |
1 |
ON3C21H31 |
AB3C21D31 |
-39.49 |
6.15 |
-8.62 |
-0.82 |
0 |
|
|
70532 |
48413478 |
1 |
FON3C20H28 |
ABC3D20E28 |
-78.89 |
4.4 |
-8.7 |
-1.09 |
0 |
|
|
70533 |
48413480 |
1 |
ClSO2N3C19H28 |
ABC2D3E19F28 |
-106.51 |
3.88 |
-8.51 |
-0.94 |
0 |
|
|
70534 |
48413481 |
1 |
ClON3C20H28 |
ABC3D20E28 |
-42.36 |
4.11 |
-8.93 |
-1.16 |
0 |
|
|
70535 |
48413482 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-70.66 |
4.3 |
-8.64 |
-0.93 |
0 |
|
|
70536 |
48413483 |
1 |
SO2N4C22H34 |
AB2C4D22E34 |
-95.6 |
5.75 |
-8.54 |
-0.75 |
0 |
|
|
70537 |
48413484 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-102.16 |
5.2 |
-8.49 |
-1.18 |
0 |
|
|
70538 |
48413485 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-141.2 |
3.16 |
-8.59 |
-0.95 |
0 |
|
|
70539 |
48413486 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-97.25 |
5.13 |
-8.63 |
-0.59 |
0 |
|
|
70540 |
48413487 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-138.33 |
0.76 |
-8.62 |
-0.82 |
0 |
|
|
70541 |
48413488 |
1 |
SN3O3C19H31 |
AB3C3D19E31 |
-104.77 |
7.74 |
-8.79 |
-0.96 |
0 |
|
|
70542 |
48413489 |
1 |
SN3O3C19H33 |
AB3C3D19E33 |
-138.19 |
2.43 |
-8.68 |
-0.9 |
0 |
|
|
70543 |
48413490 |
1 |
SN3O3C20H35 |
AB3C3D20E35 |
-145.21 |
7.19 |
-8.77 |
-0.93 |
0 |
|
|
70544 |
48413491 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-130.57 |
3.92 |
-8.63 |
-0.98 |
0 |
|
|
70545 |
48413492 |
1 |
FO2N3C18H28 |
AB2C3D18E28 |
-138.21 |
4.27 |
-8.65 |
-0.48 |
0 |
|
|
70546 |
48413493 |
1 |
OS2N5C18H29 |
AB2C5D18E29 |
-1.32 |
5.58 |
-8.49 |
-1.08 |
0 |
|
|
70547 |
48413494 |
2 |
ON2C12H18 |
AB2C12D18 |
-90.32 |
5.38 |
-8.59 |
-0.88 |
0 |
|
|
70548 |
48413495 |
1 |
N4O5C19H28 |
A4B5C19D28 |
-125.72 |
6.25 |
-8.67 |
-1.47 |
0 |
|
|
70549 |
48413496 |
1 |
N3O3C22H37 |
A3B3C22D37 |
-166.74 |
2.64 |
-8.58 |
-0.29 |
0 |
|
|
70550 |
48413497 |
1 |
N3O5C21H35 |
A3B5C21D35 |
-203.82 |
4.63 |
-8.74 |
-0.18 |
0 |
|
|
70551 |
48413498 |
1 |
ON5C23H31 |
AB5C23D31 |
31.24 |
5.27 |
-8.58 |
-0.67 |
0 |