List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
293700 |
117397137 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-119.0 |
7.76 |
-9.29 |
-0.24 |
0 |
|
|
293701 |
117397140 |
1 |
SN3C14H15 |
AB3C14D15 |
62.71 |
3.52 |
-8.34 |
-0.28 |
0 |
|
|
293702 |
117397150 |
1 |
NO2S2C11H15 |
AB2C2D11E15 |
-44.82 |
3.5 |
-9.12 |
-0.9 |
0 |
|
|
293703 |
117397173 |
1 |
N3C16H23 |
A3B16C23 |
29.39 |
2.03 |
-8.51 |
0.12 |
0 |
|
|
293704 |
117397181 |
1 |
N3C16H23 |
A3B16C23 |
34.14 |
3.48 |
-9.03 |
0.02 |
0 |
|
|
293705 |
117397205 |
1 |
N3C16H23 |
A3B16C23 |
18.78 |
2.3 |
-7.94 |
0.43 |
0 |
|
|
293706 |
117397206 |
1 |
N3C16H23 |
A3B16C23 |
18.0 |
1.13 |
-7.9 |
0.49 |
0 |
|
|
293707 |
117397215 |
1 |
N3C16H23 |
A3B16C23 |
31.8 |
1.56 |
-8.9 |
0.0 |
0 |
|
|
293708 |
117397222 |
1 |
N3C16H23 |
A3B16C23 |
36.18 |
3.79 |
-8.61 |
0.02 |
0 |
|
|
293709 |
117397233 |
1 |
NC18H27 |
AB18C27 |
-10.99 |
2.17 |
-9.09 |
0.5 |
0 |
|
|
293710 |
117397264 |
1 |
NC18H27 |
AB18C27 |
-15.49 |
1.82 |
-8.98 |
0.46 |
0 |
|
|
293711 |
117397281 |
1 |
NC18H27 |
AB18C27 |
-14.51 |
2.25 |
-8.9 |
0.48 |
0 |
|
|
293712 |
117397293 |
1 |
NC18H27 |
AB18C27 |
-4.98 |
2.12 |
-9.2 |
0.38 |
0 |
|
|
293713 |
117397321 |
1 |
NC18H27 |
AB18C27 |
-14.86 |
1.18 |
-9.13 |
0.52 |
0 |
|
|
293714 |
117397328 |
1 |
ClFNO4H5C10 |
ABCD4E5F10 |
-117.24 |
1.99 |
-9.24 |
-2.43 |
0 |
|
|
293715 |
117397332 |
1 |
ClFNO4H5C10 |
ABCD4E5F10 |
-113.34 |
1.79 |
-9.21 |
-2.4 |
0 |
|
|
293716 |
117397360 |
1 |
ClFO2N3H9C10 |
ABC2D3E9F10 |
-32.82 |
2.54 |
-9.3 |
-1.0 |
0 |
|
|
293717 |
117397393 |
1 |
ClNOF2H10C12 |
ABCD2E10F12 |
-109.95 |
5.01 |
-9.95 |
-0.88 |
0 |
|
|
293718 |
117397394 |
1 |
ClNOF2H10C12 |
ABCD2E10F12 |
-106.76 |
3.71 |
-9.98 |
-1.04 |
0 |
|
|
293719 |
117397407 |
1 |
ClNOF2H10C12 |
ABCD2E10F12 |
-108.12 |
3.17 |
-10.03 |
-0.87 |
0 |
|
|
293720 |
117397610 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-123.4 |
4.74 |
-9.33 |
-0.04 |
0 |
|
|
293721 |
117397613 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-124.8 |
4.62 |
-9.35 |
-0.26 |
0 |
|
|
293722 |
117397617 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-147.09 |
4.54 |
-9.31 |
-0.26 |
0 |
|
|
293723 |
117397634 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-129.05 |
5.44 |
-9.55 |
-0.48 |
0 |
|
|
293724 |
117397669 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-104.36 |
1.74 |
-8.93 |
-0.74 |
0 |
|
|
293725 |
117397670 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-105.45 |
6.2 |
-8.9 |
-0.63 |
0 |
|
|
293726 |
117397671 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-106.11 |
7.77 |
-8.83 |
-0.4 |
0 |
|
|
293727 |
117397759 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-89.8 |
3.51 |
-8.89 |
-0.09 |
0 |
|
|
293728 |
117397770 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-107.7 |
2.0 |
-8.66 |
-0.32 |
0 |
|
|
293729 |
117397808 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-97.9 |
1.99 |
-8.64 |
-0.45 |
0 |
|
|
293730 |
117397819 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-118.26 |
2.86 |
-8.76 |
-0.16 |
0 |
|
|
293731 |
117397855 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-104.68 |
0.09 |
-8.52 |
-0.4 |
0 |
|
|
293732 |
117397863 |
1 |
ClNO3C12H16 |
ABC3D12E16 |
-100.73 |
2.24 |
-8.95 |
-0.44 |
0 |
|
|
293733 |
117397955 |
1 |
ClFNOC13H17 |
ABCDE13F17 |
-65.04 |
3.05 |
-9.46 |
-0.4 |
0 |
|
|
293734 |
117398124 |
1 |
ClNO2C13H20 |
ABC2D13E20 |
-84.48 |
0.81 |
-8.7 |
-0.1 |
0 |
|
|
293735 |
117398139 |
1 |
ClNO2C13H20 |
ABC2D13E20 |
-79.47 |
2.56 |
-8.19 |
0.05 |
0 |
|
|
293736 |
117398222 |
1 |
ClNO2C13H20 |
ABC2D13E20 |
-82.32 |
2.95 |
-8.62 |
-0.13 |
0 |
|
|
293737 |
117398251 |
1 |
ClNSC13H20 |
ABCD13E20 |
-14.8 |
3.55 |
-8.68 |
-0.31 |
0 |
|
|
293738 |
117398371 |
1 |
BrNO2C10H12 |
ABC2D10E12 |
-44.27 |
3.02 |
-8.77 |
-0.17 |
0 |
|
|
293739 |
117398522 |
1 |
BrNOC11H16 |
ABCD11E16 |
-30.34 |
1.24 |
-9.28 |
-0.14 |
0 |
|
|
293740 |
117398523 |
1 |
BrNOC11H16 |
ABCD11E16 |
-29.49 |
3.27 |
-8.87 |
0.01 |
0 |
|
|
293741 |
117398812 |
1 |
O2F3C13H13 |
A2B3C13D13 |
-227.53 |
4.23 |
-10.45 |
-0.94 |
0 |
|
|
293742 |
117398813 |
1 |
O2F3C13H13 |
A2B3C13D13 |
-216.53 |
4.06 |
-10.15 |
-0.82 |
0 |
|
|
293743 |
117398873 |
1 |
FO5C12H15 |
AB5C12D15 |
-241.27 |
5.37 |
-8.83 |
-0.54 |
0 |
|
|
293744 |
117398976 |
1 |
F2O3C13H16 |
A2B3C13D16 |
-229.29 |
6.66 |
-9.24 |
-0.45 |
0 |
|
|
293745 |
117399283 |
1 |
SO5C11H14 |
AB5C11D14 |
-216.31 |
3.01 |
-9.53 |
-0.7 |
0 |
|
|
293746 |
117399298 |
1 |
SO5C11H14 |
AB5C11D14 |
-204.15 |
7.72 |
-9.76 |
-0.96 |
0 |
|
|
293747 |
117399420 |
1 |
O3C16H18 |
A3B16C18 |
-71.09 |
3.5 |
-8.48 |
-0.46 |
0 |
|
|
293748 |
117399511 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-16.62 |
5.8 |
-8.62 |
-0.44 |
0 |
|
|
293749 |
117399512 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-14.38 |
4.13 |
-8.75 |
-0.35 |
0 |