List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373642 |
131318170 |
1 |
N4O4C13H20 |
A4B4C13D20 |
-152.35 |
7.97 |
-10.39 |
-0.59 |
0 |
|
|
373643 |
131318176 |
1 |
BrNO2C12H12 |
ABC2D12E12 |
-46.07 |
4.54 |
-9.95 |
-0.99 |
0 |
|
|
373644 |
131318182 |
1 |
OCl2C11H12 |
AB2C11D12 |
-44.14 |
1.6 |
-9.88 |
-0.92 |
0 |
|
|
373645 |
131318191 |
1 |
NOI2C11H15 |
ABC2D11E15 |
-11.16 |
1.88 |
-9.19 |
-1.15 |
0 |
|
|
373646 |
131318221 |
1 |
FN2O3H7C10 |
AB2C3D7E10 |
-113.26 |
1.78 |
-10.43 |
-1.52 |
0 |
|
|
373647 |
131318224 |
1 |
SO3H10C11 |
AB3C10D11 |
-86.06 |
7.62 |
-8.84 |
-1.08 |
0 |
|
|
373648 |
131318251 |
1 |
BrOF2N2C7H7 |
ABC2D2E7F7 |
-125.7 |
1.12 |
-8.2 |
-0.45 |
0 |
|
|
373649 |
131318269 |
1 |
BrN2C8H11 |
AB2C8D11 |
-0.11 |
2.64 |
-8.25 |
0.41 |
0 |
|
|
373650 |
131318284 |
1 |
ON2F3H7C9 |
AB2C3D7E9 |
-142.71 |
4.23 |
-9.26 |
-0.76 |
0 |
|
|
373651 |
131318289 |
1 |
ON2F3H7C9 |
AB2C3D7E9 |
-144.17 |
4.02 |
-9.07 |
-0.78 |
0 |
|
|
373652 |
131318296 |
1 |
FSO2H9C11 |
ABC2D9E11 |
-75.65 |
1.13 |
-8.71 |
-1.36 |
0 |
|
|
373653 |
131318300 |
1 |
FSO2H9C11 |
ABC2D9E11 |
-76.21 |
3.31 |
-9.01 |
-1.1 |
0 |
|
|
373654 |
131318302 |
1 |
BrN3C10H12 |
AB3C10D12 |
75.55 |
4.68 |
-9.24 |
0.03 |
0 |
|
|
373655 |
131318306 |
1 |
BrN3C10H12 |
AB3C10D12 |
58.02 |
4.47 |
-9.14 |
-0.54 |
0 |
|
|
373656 |
131318323 |
1 |
IO3C10H11 |
AB3C10D11 |
-94.34 |
4.47 |
-9.41 |
-1.06 |
0 |
|
|
373657 |
131318331 |
1 |
ClSN2H3O5C7 |
ABC2D3E5F7 |
-64.2 |
4.64 |
-11.09 |
-2.86 |
0 |
|
|
373658 |
131318333 |
1 |
ON3C12H17 |
AB3C12D17 |
31.63 |
3.61 |
-8.7 |
0.42 |
0 |
|
|
373659 |
131318344 |
1 |
ClFNSO4H7C8 |
ABCDE4F7G8 |
-130.27 |
3.84 |
-11.21 |
-1.92 |
0 |
|
|
373660 |
131318370 |
1 |
O2C11H16 |
A2B11C16 |
-87.31 |
3.15 |
-8.12 |
0.26 |
0 |
|
|
373661 |
131318440 |
1 |
NSO3C11H11 |
ABC3D11E11 |
-96.5 |
4.34 |
-8.12 |
-1.09 |
0 |
|
|
373662 |
131318442 |
1 |
NSO3C5H5 |
ABC3D5E5 |
-82.6 |
4.52 |
-8.98 |
-0.98 |
0 |
|
|
373663 |
131318448 |
1 |
NC15H19 |
AB15C19 |
14.32 |
2.24 |
-8.57 |
-0.23 |
0 |
|
|
373664 |
131318458 |
1 |
SO2F3H5C9 |
AB2C3D5E9 |
-207.74 |
5.43 |
-8.78 |
-1.39 |
0 |
|
|
373665 |
131318474 |
1 |
SO2F3H5C9 |
AB2C3D5E9 |
-210.52 |
3.74 |
-9.03 |
-1.02 |
0 |
|
|
373666 |
131318483 |
1 |
BO2N3C15H20 |
AB2C3D15E20 |
-102.47 |
6.41 |
-9.12 |
-0.57 |
0 |
|
|
373667 |
131318484 |
1 |
BN3O4C21H26 |
AB3C4D21E26 |
-186.94 |
4.59 |
-9.2 |
-1.47 |
0 |
|
|
373668 |
131318492 |
1 |
BrClNSF3O3H4C7 |
ABCDE3F3G4H7 |
-262.38 |
2.69 |
-10.36 |
-2.08 |
0 |
|
|
373669 |
131318519 |
1 |
INO3H6C7 |
ABC3D6E7 |
-85.16 |
6.03 |
-8.95 |
-1.43 |
0 |
|
|
373670 |
131318541 |
1 |
BrOF3H3N3C7 |
ABC3D3E3F7 |
-133.24 |
5.54 |
-9.6 |
-1.57 |
0 |
|
|
373671 |
131318568 |
1 |
ClOS2C11H11 |
ABC2D11E11 |
-14.37 |
3.58 |
-8.36 |
-0.85 |
0 |
|
|
373672 |
131318580 |
1 |
ON2C12H12 |
AB2C12D12 |
16.52 |
2.86 |
-9.29 |
-0.32 |
0 |
|
|
373673 |
131318585 |
1 |
ON2C12H12 |
AB2C12D12 |
16.56 |
2.86 |
-8.44 |
-0.25 |
0 |
|
|
373674 |
131318599 |
1 |
SO4H8C11 |
AB4C8D11 |
-119.99 |
2.21 |
-8.9 |
-1.41 |
0 |
|
|
373675 |
131318613 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-64.22 |
2.33 |
-8.67 |
-0.98 |
0 |
|
|
373676 |
131318619 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-54.61 |
3.98 |
-8.41 |
-1.22 |
0 |
|
|
373677 |
131318653 |
1 |
BrNOCl2C11H12 |
ABCD2E11F12 |
-41.41 |
4.84 |
-9.62 |
-0.54 |
0 |
|
|
373678 |
131318655 |
1 |
N2O5C9H10 |
A2B5C9D10 |
-171.81 |
3.04 |
-9.63 |
-0.5 |
0 |
|
|
373679 |
131318685 |
1 |
NO2C8H17 |
AB2C8D17 |
-101.42 |
3.06 |
-9.29 |
1.63 |
0 |
|
|
373680 |
131318694 |
1 |
ClN5C7H8 |
AB5C7D8 |
55.79 |
4.51 |
-9.86 |
-0.85 |
0 |
|
|
373681 |
131318705 |
1 |
ClOC11H11 |
ABC11D11 |
-7.18 |
4.02 |
-9.89 |
-0.9 |
0 |
|
|
373682 |
131318730 |
2 |
NOC6H11 |
ABC6D11 |
-106.3 |
2.27 |
-9.36 |
0.72 |
0 |
|
|
373683 |
131318731 |
1 |
O3C13H22 |
A3B13C22 |
-173.37 |
2.69 |
-10.36 |
0.58 |
0 |
|
|
373684 |
131318763 |
1 |
ON2C12H16 |
AB2C12D16 |
-20.2 |
2.91 |
-9.03 |
-0.05 |
0 |
|
|
373685 |
131318768 |
1 |
NOF2H11C12 |
ABC2D11E12 |
-87.34 |
4.86 |
-9.33 |
-0.7 |
0 |
|
|
373686 |
131318779 |
1 |
NSO2C12H13 |
ABC2D12E13 |
-48.57 |
3.51 |
-9.14 |
-0.61 |
0 |
|
|
373687 |
131318788 |
1 |
ON2H12C13 |
AB2C12D13 |
21.07 |
3.08 |
-8.96 |
-0.81 |
0 |
|
|
373688 |
131318800 |
1 |
BrOSN2H5C7 |
ABCD2E5F7 |
23.37 |
2.81 |
-10.2 |
-1.52 |
0 |
|
|
373689 |
131318801 |
1 |
NF2C12H17 |
AB2C12D17 |
-109.63 |
3.38 |
-9.29 |
-0.25 |
0 |
|
|
373690 |
131318811 |
1 |
NO2F3C10H12 |
AB2C3D10E12 |
-226.95 |
4.12 |
-8.83 |
-0.17 |
0 |
|
|
373691 |
131318837 |
1 |
ON2C13H20 |
AB2C13D20 |
-32.21 |
4.13 |
-8.02 |
0.5 |
0 |