List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
280500 |
103849630 |
1 |
NO5C16H21 |
AB5C16D21 |
-217.02 |
5.16 |
-9.97 |
-0.54 |
0 |
|
|
280501 |
103849632 |
1 |
NO5C17H23 |
AB5C17D23 |
-208.99 |
6.57 |
-9.93 |
-0.48 |
0 |
|
|
280502 |
103849635 |
1 |
NO5C25H29 |
AB5C25D29 |
-190.34 |
3.56 |
-8.91 |
-0.46 |
0 |
|
|
280503 |
103849636 |
1 |
NO5C16H29 |
AB5C16D29 |
-277.06 |
6.12 |
-9.68 |
0.02 |
0 |
|
|
280504 |
103849640 |
1 |
NO5C19H25 |
AB5C19D25 |
-192.96 |
5.09 |
-9.89 |
-0.46 |
0 |
|
|
280505 |
103849641 |
1 |
NO5C26H29 |
AB5C26D29 |
-166.28 |
4.4 |
-8.91 |
-0.46 |
0 |
|
|
280506 |
103849648 |
1 |
FN2O3H11C15 |
AB2C3D11E15 |
-16.39 |
4.05 |
-9.78 |
-1.18 |
0 |
|
|
280507 |
103849652 |
1 |
OF2N2H8C15 |
AB2C2D8E15 |
-19.12 |
3.66 |
-9.98 |
-1.18 |
0 |
|
|
280508 |
103849653 |
1 |
FON3H12C13 |
ABC3D12E13 |
6.34 |
8.78 |
-9.54 |
-0.77 |
0 |
|
|
280509 |
103849657 |
1 |
BrON2C15H19 |
ABC2D15E19 |
3.09 |
3.03 |
-8.81 |
-0.01 |
0 |
|
|
280510 |
103849663 |
1 |
ClNSO2C13H18 |
ABCD2E13F18 |
-97.73 |
2.98 |
-8.79 |
-0.51 |
0 |
|
|
280511 |
103849666 |
1 |
N2O4C9H16 |
A2B4C9D16 |
-183.35 |
3.69 |
-9.95 |
0.64 |
0 |
|
|
280512 |
103849677 |
1 |
SO2N3C10H15 |
AB2C3D10E15 |
-33.77 |
2.11 |
-9.99 |
-0.64 |
0 |
|
|
280513 |
103849682 |
1 |
ISN2O2C9H15 |
ABC2D2E9F15 |
-43.88 |
4.92 |
-9.34 |
-0.85 |
0 |
|
|
280514 |
103849692 |
1 |
FO2C15H15 |
AB2C15D15 |
-93.94 |
1.44 |
-8.88 |
-0.12 |
0 |
|
|
280515 |
103849695 |
1 |
SO3C12H18 |
AB3C12D18 |
-119.22 |
4.68 |
-8.91 |
0.25 |
0 |
|
|
280516 |
103849696 |
1 |
FO2C16H17 |
AB2C16D17 |
-98.34 |
2.08 |
-9.17 |
-0.12 |
0 |
|
|
280517 |
103849699 |
1 |
SO3C16H20 |
AB3C16D20 |
-102.74 |
5.1 |
-8.51 |
-0.3 |
0 |
|
|
280518 |
103849701 |
1 |
SO5C14H20 |
AB5C14D20 |
-205.97 |
6.47 |
-9.42 |
-0.5 |
0 |
|
|
280519 |
103849715 |
1 |
SO3C16H26 |
AB3C16D26 |
-146.48 |
4.48 |
-8.56 |
0.46 |
0 |
|
|
280520 |
103849729 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-121.93 |
8.11 |
-8.85 |
-0.58 |
0 |
|
|
280521 |
103849730 |
1 |
FO2C17H19 |
AB2C17D19 |
-110.59 |
2.14 |
-8.57 |
-0.32 |
0 |
|
|
280522 |
103849733 |
1 |
SO3C15H24 |
AB3C15D24 |
-139.02 |
5.2 |
-8.68 |
0.31 |
0 |
|
|
280523 |
103849744 |
1 |
SO4C16H22 |
AB4C16D22 |
-171.38 |
4.45 |
-9.23 |
-0.31 |
0 |
|
|
280524 |
103849750 |
1 |
ClNO4C10H12 |
ABC4D10E12 |
-88.14 |
4.12 |
-9.77 |
-1.45 |
0 |
|
|
280525 |
103849752 |
1 |
FSO4C14H19 |
ABC4D14E19 |
-212.32 |
5.74 |
-9.73 |
-0.72 |
0 |
|
|
280526 |
103849754 |
1 |
FSO4C14H19 |
ABC4D14E19 |
-211.35 |
6.42 |
-9.65 |
-0.65 |
0 |
|
|
280527 |
103849755 |
1 |
FSO4C11H13 |
ABC4D11E13 |
-195.21 |
5.96 |
-9.63 |
-0.59 |
0 |
|
|
280528 |
103849758 |
1 |
FO3C12H15 |
AB3C12D15 |
-171.34 |
3.55 |
-9.57 |
-0.53 |
0 |
|
|
280529 |
103849761 |
1 |
FSO4C14H19 |
ABC4D14E19 |
-204.34 |
5.7 |
-9.48 |
-0.77 |
0 |
|
|
280530 |
103849762 |
1 |
FNO3C13H16 |
ABC3D13E16 |
-137.59 |
5.56 |
-9.78 |
-0.86 |
0 |
|
|
280531 |
103849764 |
1 |
F2O2H14C15 |
A2B2C14D15 |
-139.78 |
2.88 |
-8.89 |
-0.46 |
0 |
|
|
280532 |
103849768 |
1 |
SO4C16H22 |
AB4C16D22 |
-165.72 |
7.39 |
-9.0 |
-0.56 |
0 |
|
|
280533 |
103849770 |
1 |
F2O2H14C15 |
A2B2C14D15 |
-138.39 |
3.26 |
-8.88 |
-0.46 |
0 |
|
|
280534 |
103849778 |
1 |
FNSO3C13H16 |
ABCD3E13F16 |
-135.2 |
3.68 |
-9.8 |
-0.91 |
0 |
|
|
280535 |
103849785 |
1 |
FNO2C11H12 |
ABC2D11E12 |
-90.05 |
4.71 |
-9.53 |
-0.87 |
0 |
|
|
280536 |
103849788 |
1 |
NO4C12H15 |
AB4C12D15 |
-158.32 |
3.94 |
-9.57 |
-0.56 |
0 |
|
|
280537 |
103849789 |
1 |
N3O4C12H23 |
A3B4C12D23 |
-205.61 |
4.88 |
-9.91 |
0.44 |
0 |
|
|
280538 |
103849802 |
1 |
FNO4C12H14 |
ABC4D12E14 |
-212.61 |
4.7 |
-9.61 |
-0.83 |
0 |
|
|
280539 |
103849808 |
1 |
NSO5C9H17 |
ABC5D9E17 |
-232.47 |
10.33 |
-9.61 |
0.11 |
0 |
|
|
280540 |
103849810 |
1 |
ClNO4C12H14 |
ABC4D12E14 |
-166.73 |
2.9 |
-9.56 |
-0.7 |
0 |
|
|
280541 |
103849812 |
1 |
BrN2O5C12H15 |
AB2C5D12E15 |
-177.71 |
3.28 |
-9.87 |
-1.09 |
0 |
|
|
280542 |
103849816 |
1 |
NO5C13H17 |
AB5C13D17 |
-200.13 |
4.29 |
-8.61 |
-0.81 |
0 |
|
|
280543 |
103849818 |
1 |
Br2N2O3C14H14 |
A2B2C3D14E14 |
-90.51 |
6.78 |
-9.26 |
-0.95 |
0 |
|
|
280544 |
103849825 |
1 |
NO4C13H17 |
AB4C13D17 |
-167.5 |
2.25 |
-9.25 |
-0.05 |
0 |
|
|
280545 |
103849830 |
1 |
BrSO4C12H15 |
ABC4D12E15 |
-147.1 |
9.38 |
-9.46 |
-0.66 |
0 |
|
|
280546 |
103849834 |
1 |
ClNSO5C12H16 |
ABCD5E12F16 |
-133.0 |
10.56 |
-10.01 |
-1.32 |
0 |
|
|
280547 |
103849838 |
1 |
NO2C15H19 |
AB2C15D19 |
-62.88 |
4.09 |
-9.26 |
-0.66 |
0 |
|
|
280548 |
103849847 |
1 |
ClNSO3C13H16 |
ABCD3E13F16 |
-96.51 |
2.36 |
-9.81 |
-1.07 |
0 |
|
|
280549 |
103849855 |
1 |
BrClOSN3H5C9 |
ABCDE3F5G9 |
37.07 |
6.93 |
-9.26 |
-1.53 |
0 |