List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
150986 |
53790683 |
1 |
S2O7N8H16C17 |
A2B7C8D16E17 |
-74.05 |
9.4 |
-9.87 |
-1.58 |
0 |
|
|
150987 |
53790684 |
1 |
OH10C11 |
AB10C11 |
47.86 |
2.24 |
-8.61 |
-0.29 |
0 |
|
|
150988 |
53790685 |
1 |
NO3C22H25 |
AB3C22D25 |
-67.43 |
5.13 |
-8.37 |
-1.13 |
0 |
|
|
150989 |
53790686 |
2 |
NC6H8 |
AB6C8 |
15.12 |
3.58 |
-9.02 |
0.03 |
0 |
|
|
150990 |
53790687 |
1 |
O3H16C26 |
A3B16C26 |
-5.48 |
4.43 |
-9.09 |
-0.88 |
0 |
|
|
150991 |
53790688 |
1 |
OF3C25H35 |
AB3C25D35 |
-231.71 |
3.48 |
-9.51 |
-0.3 |
0 |
|
|
150992 |
53790689 |
1 |
NSC10H13 |
ABC10D13 |
18.23 |
5.36 |
-8.57 |
-0.6 |
0 |
|
|
150993 |
53790690 |
1 |
ClSN2H3C4 |
ABC2D3E4 |
72.0 |
2.91 |
-9.15 |
-1.62 |
0 |
|
|
150994 |
53790691 |
2 |
NO2C16H18 |
AB2C16D18 |
-91.38 |
3.68 |
-8.55 |
-0.22 |
0 |
|
|
150995 |
53790692 |
2 |
OSN4C12H13 |
ABC4D12E13 |
29.35 |
8.55 |
-8.98 |
-1.16 |
0 |
|
|
150996 |
53790693 |
1 |
ClN3O7C39H50 |
AB3C7D39E50 |
-200.04 |
3.97 |
-8.36 |
-1.65 |
0 |
|
|
150997 |
53790694 |
1 |
S2N3O3H15C20 |
A2B3C3D15E20 |
22.52 |
10.44 |
-8.45 |
-0.97 |
0 |
|
|
150998 |
53790695 |
1 |
FNPO4C13H19 |
ABCD4E13F19 |
-235.43 |
2.59 |
-9.04 |
-0.73 |
0 |
|
|
150999 |
53790696 |
1 |
ON5C16H23 |
AB5C16D23 |
10.5 |
1.15 |
-8.71 |
-0.69 |
0 |
|
|
151000 |
53790697 |
1 |
NO3C18H23 |
AB3C18D23 |
-91.62 |
3.37 |
-8.27 |
-0.04 |
0 |
|
|
151001 |
53790698 |
1 |
S2O3C11H18 |
A2B3C11D18 |
-160.1 |
2.91 |
-8.81 |
0.05 |
0 |
|
|
151002 |
53790699 |
1 |
ON3C15H21 |
AB3C15D21 |
44.73 |
4.69 |
-8.65 |
-0.38 |
0 |
|
|
151003 |
53790700 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-111.63 |
5.02 |
-8.58 |
-0.47 |
0 |
|
|
151004 |
53790701 |
1 |
N2S2F3O6H15C19 |
A2B2C3D6E15F19 |
-323.04 |
8.82 |
-9.13 |
-0.98 |
0 |
|
|
151005 |
53790702 |
1 |
NOC10H19 |
ABC10D19 |
-74.63 |
1.3 |
-8.77 |
2.63 |
0 |
|
|
151006 |
53790703 |
1 |
O4N5C20H27 |
A4B5C20D27 |
-148.17 |
8.29 |
-8.93 |
-0.8 |
0 |
|
|
151007 |
53790704 |
1 |
ClFN2O5C20H24 |
ABC2D5E20F24 |
-224.2 |
2.74 |
-9.37 |
-1.33 |
0 |
|
|
151008 |
53790705 |
1 |
N3O6C31H39 |
A3B6C31D39 |
-130.94 |
4.8 |
-8.56 |
-1.1 |
0 |
|
|
151009 |
53790706 |
1 |
NSF3O5C11H12 |
ABC3D5E11F12 |
-278.07 |
4.83 |
-8.66 |
-1.76 |
0 |
|
|
151010 |
53790707 |
2 |
NC11H24 |
AB11C24 |
-96.33 |
0.41 |
-8.66 |
2.88 |
0 |
|
|
151011 |
53790708 |
1 |
FC23H31 |
AB23C31 |
-17.55 |
1.65 |
-8.7 |
-0.31 |
0 |
|
|
151012 |
53790709 |
1 |
O4C7H10 |
A4B7C10 |
-138.06 |
4.23 |
-10.93 |
-0.01 |
0 |
|
|
151013 |
53790710 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-99.19 |
7.49 |
-9.44 |
-1.11 |
0 |
|
|
151014 |
53790711 |
1 |
NO4C26H31 |
AB4C26D31 |
-143.08 |
4.15 |
-8.78 |
-0.94 |
0 |
|
|
151015 |
53790712 |
1 |
N7H9C10 |
A7B9C10 |
161.19 |
4.72 |
-9.88 |
-0.99 |
0 |
|
|
151016 |
53790713 |
1 |
ClN2O5H21C23 |
AB2C5D21E23 |
-127.52 |
2.77 |
-9.24 |
-0.58 |
0 |
|
|
151017 |
53790714 |
2 |
N2C8H19 |
A2B8C19 |
-53.08 |
1.45 |
-8.87 |
3.1 |
0 |
|
|
151018 |
53790715 |
1 |
SO4C8H16 |
AB4C8D16 |
-217.31 |
0.48 |
-9.39 |
-0.32 |
0 |
|
|
151019 |
53790716 |
1 |
ON7C27H27 |
AB7C27D27 |
176.4 |
5.87 |
-9.77 |
-0.79 |
0 |
|
|
151020 |
53790717 |
1 |
ON2C10H20 |
AB2C10D20 |
-40.21 |
3.79 |
-9.54 |
0.72 |
0 |
|
|
151021 |
53790718 |
1 |
NOSC4H7 |
ABCD4E7 |
-25.31 |
2.77 |
-8.92 |
-0.62 |
0 |
|
|
151022 |
53790719 |
2 |
NOC12H13 |
ABC12D13 |
-51.93 |
6.33 |
-9.34 |
-0.4 |
0 |
|
|
151023 |
53790720 |
1 |
ON2H14C17 |
AB2C14D17 |
47.66 |
2.78 |
-9.37 |
-0.54 |
0 |
|
|
151024 |
53790721 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-25.15 |
2.55 |
-9.43 |
-0.93 |
0 |
|
|
151025 |
53790722 |
1 |
NO3C9H11 |
AB3C9D11 |
-45.36 |
4.1 |
-9.32 |
-0.5 |
0 |
|
|
151026 |
53790723 |
1 |
F7H17C20 |
A7B17C20 |
-320.01 |
6.16 |
-9.49 |
-0.92 |
0 |
|
|
151027 |
53790724 |
1 |
ON3C26H43 |
AB3C26D43 |
-7.15 |
3.27 |
-9.54 |
-0.02 |
0 |
|
|
151028 |
53790725 |
1 |
ClO2C21H27 |
AB2C21D27 |
-92.7 |
1.87 |
-8.77 |
-0.3 |
0 |
|
|
151029 |
53790726 |
1 |
ClN2O5C18H23 |
AB2C5D18E23 |
-218.89 |
7.12 |
-9.08 |
-0.61 |
0 |
|
|
151030 |
53790727 |
1 |
BrOSiC12H25 |
ABCD12E25 |
-125.13 |
1.91 |
-9.76 |
-0.04 |
0 |
|
|
151031 |
53790728 |
1 |
SN3O3C24H31 |
AB3C3D24E31 |
-33.11 |
9.7 |
-8.8 |
-1.41 |
0 |
|
|
151032 |
53790729 |
1 |
SN3O3C24H31 |
AB3C3D24E31 |
-34.15 |
8.78 |
-8.9 |
-1.48 |
0 |
|
|
151033 |
53790730 |
2 |
OC6H12 |
AB6C12 |
-117.56 |
2.41 |
-9.67 |
1.0 |
0 |
|
|
151034 |
53790731 |
1 |
O3C29H40 |
A3B29C40 |
-135.81 |
6.34 |
-9.28 |
-0.22 |
0 |
|
|
151035 |
53790732 |
1 |
O3C25H28 |
A3B25C28 |
-94.83 |
7.17 |
-8.74 |
-0.17 |
0 |