List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27423 |
821272 |
1 |
O3C20H28 |
A3B20C28 |
-150.31 |
5.8 |
-9.89 |
-0.63 |
0 |
|
|
27424 |
821304 |
1 |
NSO2C15H15 |
ABC2D15E15 |
-48.87 |
4.77 |
-8.65 |
-0.78 |
0 |
|
|
27425 |
821305 |
2 |
OC7H11 |
AB7C11 |
-92.87 |
4.0 |
-9.57 |
0.55 |
0 |
|
|
27426 |
821306 |
2 |
OC7H11 |
AB7C11 |
-92.87 |
4.01 |
-9.57 |
0.55 |
0 |
|
|
27427 |
821307 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-53.19 |
3.47 |
-8.51 |
-0.26 |
0 |
|
|
27428 |
821309 |
1 |
O2C15H26 |
A2B15C26 |
-116.23 |
2.4 |
-9.67 |
2.51 |
0 |
|
|
27429 |
821310 |
1 |
O2C15H24 |
A2B15C24 |
-109.31 |
3.91 |
-9.76 |
0.87 |
0 |
|
|
27430 |
821311 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-54.7 |
0.82 |
-8.25 |
-0.45 |
0 |
|
|
27431 |
821313 |
1 |
O2C15H24 |
A2B15C24 |
-103.08 |
4.65 |
-9.78 |
0.61 |
0 |
|
|
27432 |
821314 |
1 |
ON2C10H14 |
AB2C10D14 |
-41.99 |
3.13 |
-8.16 |
0.3 |
0 |
|
|
27433 |
821316 |
2 |
OC7H11 |
AB7C11 |
-104.21 |
4.23 |
-10.01 |
0.63 |
0 |
|
|
27434 |
821317 |
2 |
ClN2H5C7 |
AB2C5D7 |
105.48 |
5.08 |
-9.85 |
-1.36 |
0 |
|
|
27435 |
821319 |
1 |
O2C15H24 |
A2B15C24 |
-99.06 |
3.13 |
-9.73 |
0.64 |
0 |
|
|
27436 |
821322 |
1 |
O2C15H24 |
A2B15C24 |
-100.73 |
3.32 |
-9.64 |
0.73 |
0 |
|
|
27437 |
821325 |
1 |
O2C15H26 |
A2B15C26 |
-112.77 |
1.98 |
-9.66 |
2.48 |
0 |
|
|
27438 |
821327 |
2 |
N2C9H10 |
A2B9C10 |
97.95 |
8.65 |
-9.49 |
-0.89 |
0 |
|
|
27439 |
821330 |
2 |
OC7H11 |
AB7C11 |
-108.48 |
2.78 |
-9.93 |
0.62 |
0 |
|
|
27440 |
821345 |
1 |
NO4C20H21 |
AB4C20D21 |
-95.94 |
3.09 |
-8.1 |
-0.33 |
0 |
|
|
27441 |
821347 |
1 |
NO2C19H19 |
AB2C19D19 |
-22.94 |
1.63 |
-7.82 |
-0.29 |
0 |
|
|
27442 |
821350 |
1 |
ON5C17H21 |
AB5C17D21 |
38.67 |
5.24 |
-8.88 |
-0.86 |
0 |
|
|
27443 |
821362 |
1 |
O4C11H12 |
A4B11C12 |
-176.47 |
2.78 |
-9.4 |
-0.53 |
0 |
|
|
27444 |
821363 |
1 |
O3C15H26 |
A3B15C26 |
-180.69 |
3.16 |
-9.97 |
0.72 |
1 |
|
|
27445 |
821364 |
1 |
NO3C20H26 |
AB3C20D26 |
-69.28 |
5.16 |
0.0 |
0.0 |
1 |
|
|
27446 |
821365 |
1 |
NO3C20H26 |
AB3C20D26 |
-53.5 |
1.11 |
0.0 |
0.0 |
0 |
|
|
27447 |
821370 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-38.18 |
6.13 |
-9.03 |
-0.18 |
1 |
|
|
27448 |
821379 |
1 |
NO4C20H24 |
AB4C20D24 |
-81.43 |
8.64 |
0.0 |
0.0 |
0 |
|
|
27449 |
821402 |
1 |
O4C15H22 |
A4B15C22 |
-126.15 |
6.16 |
-10.36 |
0.68 |
0 |
|
|
27450 |
821407 |
1 |
NOSC13H21 |
ABCD13E21 |
-68.43 |
8.08 |
-8.48 |
0.28 |
0 |
|
|
27451 |
821410 |
1 |
NOSC9H17 |
ABCD9E17 |
-63.33 |
2.01 |
-8.77 |
0.2 |
0 |
|
|
27452 |
821414 |
1 |
OSN2C13H22 |
ABC2D13E22 |
-79.71 |
8.43 |
-8.39 |
0.39 |
0 |
|
|
27453 |
821418 |
4 |
OC5H8 |
AB5C8 |
-210.35 |
3.9 |
-9.94 |
2.38 |
0 |
|
|
27454 |
821421 |
4 |
OC5H8 |
AB5C8 |
-214.0 |
4.38 |
-10.0 |
2.35 |
0 |
|
|
27455 |
821433 |
1 |
O5C15H18 |
A5B15C18 |
-195.89 |
6.42 |
-9.1 |
-0.9 |
0 |
|
|
27456 |
821434 |
1 |
O5C15H18 |
A5B15C18 |
-197.5 |
6.51 |
-9.22 |
-0.99 |
0 |
|
|
27457 |
821438 |
1 |
O2C15H24 |
A2B15C24 |
-114.55 |
3.71 |
-9.72 |
0.48 |
0 |
|
|
27458 |
821439 |
1 |
O4C17H24 |
A4B17C24 |
-188.12 |
3.63 |
-9.09 |
0.48 |
0 |
|
|
27459 |
821440 |
1 |
O4C17H24 |
A4B17C24 |
-188.01 |
3.65 |
-9.1 |
0.48 |
0 |
|
|
27460 |
821446 |
1 |
O6H18C19 |
A6B18C19 |
-71.08 |
8.25 |
-8.32 |
-1.07 |
0 |
|
|
27461 |
821447 |
1 |
O3C20H28 |
A3B20C28 |
-152.12 |
3.76 |
-8.72 |
0.0 |
0 |
|
|
27462 |
821455 |
1 |
O3C20H34 |
A3B20C34 |
-198.79 |
4.89 |
-9.86 |
2.52 |
0 |
|
|
27463 |
821456 |
1 |
O3C20H30 |
A3B20C30 |
-146.93 |
3.69 |
-9.3 |
0.58 |
0 |
|
|
27464 |
821457 |
1 |
O3C22H36 |
A3B22C36 |
-195.64 |
3.44 |
-10.1 |
0.77 |
0 |
|
|
27465 |
821459 |
1 |
O4C21H30 |
A4B21C30 |
-148.7 |
4.55 |
-9.97 |
0.57 |
0 |
|
|
27466 |
821463 |
1 |
ON3C20H21 |
AB3C20D21 |
36.08 |
4.35 |
-8.42 |
-0.78 |
0 |
|
|
27467 |
821500 |
1 |
SN3O4H11C15 |
AB3C4D11E15 |
-4.63 |
4.29 |
-9.12 |
-2.1 |
0 |
|
|
27468 |
821501 |
1 |
NS2C14H19 |
AB2C14D19 |
49.12 |
2.82 |
-7.94 |
-0.46 |
0 |
|
|
27469 |
821502 |
1 |
O4N5C14H15 |
A4B5C14D15 |
15.33 |
6.13 |
-9.39 |
-1.06 |
0 |
|
|
27470 |
821504 |
1 |
NS2C13H17 |
AB2C13D17 |
57.68 |
2.76 |
-7.96 |
-0.49 |
0 |
|
|
27471 |
821505 |
1 |
SO2N5H13C15 |
AB2C5D13E15 |
55.45 |
3.95 |
-8.71 |
-1.54 |
0 |
|
|
27472 |
821506 |
1 |
NOSC13H15 |
ABCD13E15 |
36.31 |
2.42 |
-8.19 |
-0.18 |
0 |
|
|
27473 |
821509 |
1 |
NSC13H15 |
ABC13D15 |
67.43 |
3.02 |
-8.0 |
-0.32 |
0 |
|
|
27474 |
821511 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-30.38 |
3.64 |
-8.61 |
-0.75 |
0 |
|
|
27475 |
821523 |
1 |
SO4C6H8 |
AB4C6D8 |
-178.53 |
3.5 |
-10.12 |
-1.1 |
0 |
|
|
27476 |
821526 |
1 |
ClN2O2H11C13 |
AB2C2D11E13 |
-29.01 |
4.84 |
-9.01 |
-0.84 |
0 |
|
|
27477 |
821552 |
1 |
NO3C18H21 |
AB3C18D21 |
-110.22 |
2.96 |
-8.92 |
0.03 |
0 |
|
|
27478 |
821553 |
2 |
ClOH6C8 |
ABC6D8 |
-44.12 |
4.43 |
-9.12 |
-1.05 |
0 |
|
|
27479 |
821555 |
2 |
ClOH6C8 |
ABC6D8 |
-43.93 |
4.45 |
-9.15 |
-1.06 |
0 |
|
|
27480 |
821556 |
1 |
NO3H11C15 |
AB3C11D15 |
-53.34 |
4.31 |
-9.56 |
-1.4 |
0 |
|
|
27481 |
821558 |
1 |
NO2C17H19 |
AB2C17D19 |
-73.11 |
2.95 |
-9.31 |
0.0 |
0 |
|
|
27482 |
821573 |
1 |
ON2H12C20 |
AB2C12D20 |
83.29 |
2.99 |
-9.07 |
-1.26 |
0 |
|
|
27483 |
821575 |
1 |
NO2C11H17 |
AB2C11D17 |
-91.7 |
3.26 |
-9.57 |
-0.23 |
0 |
|
|
27484 |
821578 |
1 |
ClNO3H10C11 |
ABC3D10E11 |
-105.0 |
8.35 |
-9.91 |
-0.7 |
0 |
|
|
27485 |
821579 |
1 |
ClON2H11C16 |
ABC2D11E16 |
48.74 |
5.36 |
-9.77 |
-0.86 |
0 |
|
|
27486 |
821581 |
1 |
ON2Cl4C12H14 |
AB2C4D12E14 |
-62.53 |
3.81 |
-9.79 |
-0.64 |
0 |
|
|
27487 |
821596 |
1 |
Cl2N3O3H7C12 |
A2B3C3D7E12 |
5.95 |
3.23 |
-9.71 |
-2.1 |
0 |
|
|
27488 |
821598 |
1 |
ClN2O5H11C15 |
AB2C5D11E15 |
-87.03 |
6.85 |
-8.9 |
-1.88 |
0 |
|
|
27489 |
821601 |
1 |
SN2O2C11H12 |
AB2C2D11E12 |
-32.79 |
3.57 |
-9.1 |
-0.49 |
0 |
|
|
27490 |
821602 |
1 |
OSN2H14C16 |
ABC2D14E16 |
21.47 |
5.51 |
-8.98 |
-0.64 |
0 |
|
|
27491 |
821619 |
1 |
NO3C12H17 |
AB3C12D17 |
-134.7 |
4.41 |
-9.21 |
-0.01 |
0 |
|
|
27492 |
821620 |
1 |
OSN3H9C10 |
ABC3D9E10 |
35.67 |
2.41 |
-9.58 |
-1.28 |
0 |
|
|
27493 |
821622 |
1 |
OCl3N3C11H14 |
AB3C3D11E14 |
-42.39 |
4.16 |
-9.96 |
-0.59 |
0 |
|
|
27494 |
821623 |
1 |
FN2O2H11C13 |
AB2C2D11E13 |
-36.02 |
4.89 |
-9.51 |
-0.58 |
0 |
|
|
27495 |
821625 |
1 |
SN3O3C11H11 |
AB3C3D11E11 |
-36.21 |
9.57 |
-9.37 |
-0.85 |
0 |
|
|
27496 |
821627 |
1 |
SO3N5H11C14 |
AB3C5D11E14 |
95.14 |
1.28 |
-8.84 |
-1.64 |
0 |
|
|
27497 |
821629 |
1 |
OSN4H10C11 |
ABC4D10E11 |
77.14 |
7.67 |
-9.28 |
-1.23 |
0 |
|
|
27498 |
821662 |
1 |
SN2C13H18 |
AB2C13D18 |
14.54 |
1.74 |
-8.25 |
0.09 |
0 |
|
|
27499 |
821665 |
1 |
NS2O5H11C14 |
AB2C5D11E14 |
-74.1 |
4.22 |
-9.03 |
-1.26 |
0 |
|
|
27500 |
821666 |
1 |
ClO2N3H16C17 |
AB2C3D16E17 |
-29.71 |
4.49 |
-8.7 |
-0.56 |
0 |
|
|
27501 |
821667 |
1 |
ON3C13H17 |
AB3C13D17 |
-7.24 |
4.55 |
-8.81 |
-0.42 |
0 |
|
|
27502 |
821674 |
1 |
FNO2S2C15H18 |
ABC2D2E15F18 |
-101.94 |
5.23 |
-8.59 |
-0.51 |
0 |
|
|
27503 |
821681 |
1 |
BrSO2C8H9 |
ABC2D8E9 |
-58.93 |
2.98 |
-9.26 |
-0.65 |
0 |
|
|
27504 |
821687 |
1 |
NSO3C8H9 |
ABC3D8E9 |
-108.84 |
3.08 |
-8.84 |
-0.9 |
0 |
|
|
27505 |
821688 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-40.64 |
4.53 |
-9.52 |
-1.94 |
0 |
|
|
27506 |
821689 |
1 |
BrSO2H7C11 |
ABC2D7E11 |
-25.77 |
5.8 |
-9.17 |
-1.46 |
0 |
|
|
27507 |
821693 |
1 |
SO2N4C10H10 |
AB2C4D10E10 |
5.85 |
3.02 |
-9.17 |
-1.34 |
0 |
|
|
27508 |
821699 |
1 |
BrOCl2H3C6 |
ABC2D3E6 |
-29.74 |
2.64 |
-9.56 |
-0.87 |
0 |
|
|
27509 |
821700 |
1 |
NO4H13C15 |
AB4C13D15 |
-49.57 |
5.32 |
-9.86 |
-1.07 |
0 |
|
|
27510 |
821707 |
1 |
SN2O3C13H16 |
AB2C3D13E16 |
-102.17 |
2.44 |
-9.45 |
-0.44 |
0 |
|
|
27511 |
821717 |
1 |
SN2O2H16C17 |
AB2C2D16E17 |
-24.7 |
5.13 |
-9.39 |
-0.79 |
0 |
|
|
27512 |
821719 |
1 |
ClNSC14H16 |
ABCD14E16 |
18.1 |
1.37 |
-8.65 |
-0.65 |
0 |
|
|
27513 |
821739 |
1 |
NSC11H11 |
ABC11D11 |
51.43 |
1.18 |
-8.85 |
-0.34 |
0 |
|
|
27514 |
821759 |
1 |
SO2N3C12H13 |
AB2C3D12E13 |
-17.72 |
3.3 |
-8.37 |
-0.59 |
0 |
|
|
27515 |
821762 |
1 |
FON2Cl3C8H12 |
ABC2D3E8F12 |
-118.99 |
2.79 |
-9.47 |
-0.5 |
0 |
|
|
27516 |
821768 |
1 |
BrOC17H17 |
ABC17D17 |
-7.79 |
2.72 |
-9.49 |
-0.84 |
0 |
|
|
27517 |
821772 |
1 |
ON2Cl3C15H17 |
AB2C3D15E17 |
-26.11 |
3.64 |
-9.46 |
-0.41 |
0 |
|
|
27518 |
821774 |
1 |
ON2Cl3C15H17 |
AB2C3D15E17 |
-31.07 |
5.01 |
-9.31 |
-0.79 |
0 |
|
|
27519 |
821777 |
1 |
O3H16C17 |
A3B16C17 |
-85.9 |
7.77 |
-9.71 |
-1.16 |
0 |
|
|
27520 |
821779 |
1 |
O3H16C17 |
A3B16C17 |
-83.99 |
3.98 |
-9.74 |
-0.62 |
0 |
|
|
27521 |
821784 |
1 |
ON2Cl3C13H17 |
AB2C3D13E17 |
-63.85 |
4.98 |
-9.56 |
-0.41 |
0 |
|
|
27522 |
821787 |
1 |
OSC16H16 |
ABC16D16 |
-0.5 |
3.72 |
-8.65 |
-0.59 |
0 |