List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
49035 |
11528637 |
1 |
NO3C12H13 |
AB3C12D13 |
-22.86 |
5.31 |
-10.09 |
-1.23 |
0 |
|
|
49036 |
11528639 |
1 |
NO2C13H17 |
AB2C13D17 |
-44.84 |
2.91 |
-9.48 |
0.29 |
0 |
|
|
49037 |
11528641 |
1 |
NO2C13H17 |
AB2C13D17 |
-62.79 |
5.69 |
-9.53 |
0.26 |
0 |
|
|
49038 |
11528642 |
1 |
SN3C11H13 |
AB3C11D13 |
63.71 |
6.61 |
-8.44 |
-0.21 |
0 |
|
|
49039 |
11528643 |
1 |
ClON3H6C10 |
ABC3D6E10 |
47.85 |
7.2 |
-9.22 |
-1.14 |
0 |
|
|
49040 |
11528644 |
1 |
F3O3H7C9 |
A3B3C7D9 |
-259.04 |
4.92 |
-9.75 |
-0.92 |
0 |
|
|
49041 |
11528645 |
4 |
OC3H3 |
AB3C3 |
-147.92 |
9.43 |
-9.62 |
-1.44 |
0 |
|
|
49042 |
11528646 |
1 |
O3C13H16 |
A3B13C16 |
-136.02 |
3.5 |
-8.79 |
0.12 |
0 |
|
|
49043 |
11528647 |
1 |
O3C13H16 |
A3B13C16 |
-111.9 |
4.03 |
-9.01 |
0.02 |
0 |
|
|
49044 |
11528649 |
1 |
OC15H24 |
AB15C24 |
-72.21 |
4.36 |
-9.51 |
0.13 |
0 |
|
|
49045 |
11528650 |
1 |
OC15H24 |
AB15C24 |
-40.89 |
2.4 |
-9.08 |
0.59 |
0 |
|
|
49046 |
11528651 |
1 |
OSiC13H20 |
ABC13D20 |
-36.93 |
1.2 |
-8.95 |
0.38 |
0 |
|
|
49047 |
11528652 |
1 |
ClO3C10H17 |
AB3C10D17 |
-160.63 |
2.37 |
-10.02 |
-0.14 |
0 |
|
|
49048 |
11528653 |
1 |
NF3O3H6C8 |
AB3C3D6E8 |
-187.01 |
2.69 |
-11.08 |
-1.88 |
0 |
|
|
49049 |
11528654 |
1 |
O2F3N3H6C7 |
A2B3C3D6E7 |
-105.2 |
4.57 |
-10.13 |
-1.31 |
0 |
|
|
49050 |
11528655 |
1 |
NO4C11H11 |
AB4C11D11 |
-137.13 |
7.17 |
-9.56 |
-1.11 |
0 |
|
|
49051 |
11528656 |
1 |
NO3C12H15 |
AB3C12D15 |
-46.47 |
3.22 |
-9.83 |
-0.57 |
0 |
|
|
49052 |
11528657 |
1 |
NO3C12H15 |
AB3C12D15 |
-44.91 |
6.76 |
-9.81 |
-0.25 |
0 |
|
|
49053 |
11528658 |
1 |
NOH11C15 |
ABC11D15 |
31.87 |
0.88 |
-8.78 |
-0.7 |
0 |
|
|
49054 |
11528659 |
1 |
NSO2C11H11 |
ABC2D11E11 |
-6.71 |
6.63 |
-9.8 |
-0.62 |
0 |
|
|
49055 |
11528660 |
1 |
NOC14H23 |
ABC14D23 |
-42.33 |
1.27 |
-8.87 |
0.22 |
0 |
|
|
49056 |
11528661 |
1 |
NC15H27 |
AB15C27 |
-11.62 |
1.11 |
-8.69 |
1.22 |
0 |
|
|
49057 |
11528662 |
1 |
NSCl2C8H9 |
ABC2D8E9 |
10.69 |
2.34 |
-9.18 |
-0.62 |
0 |
|
|
49058 |
11528663 |
1 |
FO3H11C12 |
AB3C11D12 |
-102.06 |
1.72 |
-10.14 |
-0.62 |
0 |
|
|
49059 |
11528664 |
1 |
OF2H12C13 |
AB2C12D13 |
-112.8 |
6.33 |
-9.85 |
-1.32 |
0 |
|
|
49060 |
11528665 |
2 |
O2C6H7 |
A2B6C7 |
-148.29 |
6.1 |
-9.91 |
-0.69 |
0 |
|
|
49061 |
11528666 |
2 |
O2C6H7 |
A2B6C7 |
-153.06 |
9.02 |
-9.64 |
-0.56 |
0 |
|
|
49062 |
11528668 |
1 |
O3C13H18 |
A3B13C18 |
-129.32 |
2.31 |
-9.25 |
0.28 |
0 |
|
|
49063 |
11528669 |
1 |
N2H14C15 |
A2B14C15 |
67.07 |
3.03 |
-7.72 |
-0.01 |
0 |
|
|
49064 |
11528670 |
1 |
C17H18 |
A17B18 |
69.67 |
1.09 |
-8.76 |
-0.39 |
0 |
|
|
49065 |
11528671 |
1 |
OSC13H18 |
ABC13D18 |
-28.93 |
0.94 |
-8.63 |
-0.09 |
0 |
|
|
49066 |
11528672 |
1 |
BrC11H11 |
AB11C11 |
28.69 |
2.55 |
-8.99 |
-0.33 |
0 |
|
|
49067 |
11528673 |
1 |
NO3C12H17 |
AB3C12D17 |
-138.89 |
1.91 |
-10.1 |
0.26 |
0 |
|
|
49068 |
11528674 |
1 |
N3H13C14 |
A3B13C14 |
74.01 |
2.7 |
-8.32 |
-0.37 |
0 |
|
|
49069 |
11528675 |
1 |
N3H13C14 |
A3B13C14 |
93.44 |
2.87 |
-9.56 |
-1.1 |
0 |
|
|
49070 |
11528676 |
1 |
S2N3C9H9 |
A2B3C9D9 |
84.91 |
5.76 |
-8.5 |
-0.91 |
0 |
|
|
49071 |
11528677 |
1 |
N3C13H25 |
A3B13C25 |
25.76 |
1.6 |
-8.98 |
1.05 |
0 |
|
|
49072 |
11528678 |
1 |
NS2C11H13 |
AB2C11D13 |
31.56 |
2.77 |
-8.65 |
-0.35 |
0 |
|
|
49073 |
11528680 |
1 |
PO2C11H15 |
AB2C11D15 |
-93.27 |
1.81 |
-8.96 |
0.05 |
0 |
|
|
49074 |
11528681 |
1 |
NCl2H7C11 |
AB2C7D11 |
49.62 |
3.74 |
-9.55 |
-1.16 |
0 |
|
|
49075 |
11528682 |
1 |
OF2N2H10C11 |
AB2C2D10E11 |
-80.53 |
8.03 |
-9.08 |
-0.68 |
0 |
|
|
49076 |
11528683 |
1 |
O3C13H20 |
A3B13C20 |
-107.34 |
4.64 |
-10.26 |
0.07 |
0 |
|
|
49077 |
11528684 |
2 |
OC7H12 |
AB7C12 |
-124.59 |
1.95 |
-9.48 |
0.96 |
0 |
|
|
49078 |
11528685 |
1 |
OC15H28 |
AB15C28 |
-80.61 |
4.0 |
-9.85 |
0.77 |
0 |
|
|
49079 |
11528686 |
1 |
ClO2C12H13 |
AB2C12D13 |
-61.48 |
3.8 |
-9.7 |
-0.62 |
0 |
|
|
49080 |
11528688 |
1 |
BNSO2C10H16 |
ABCD2E10F16 |
-145.29 |
3.32 |
-9.0 |
-0.14 |
0 |
|
|
49081 |
11528689 |
1 |
NSO3C10H11 |
ABC3D10E11 |
-37.29 |
3.57 |
-9.63 |
-0.59 |
0 |
|
|
49082 |
11528691 |
1 |
NOC15H15 |
ABC15D15 |
16.78 |
2.26 |
-9.19 |
-0.4 |
0 |
|
|
49083 |
11528692 |
1 |
NSH11C14 |
ABC11D14 |
78.4 |
5.12 |
-8.97 |
-0.98 |
0 |
|
|
49084 |
11528693 |
1 |
NO2C13H23 |
AB2C13D23 |
-106.77 |
2.65 |
-9.34 |
0.72 |
0 |