List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
197045 |
78912586 |
1 |
N3O3C12H25 |
A3B3C12D25 |
-154.49 |
3.41 |
-9.31 |
0.63 |
0 |
|
|
197046 |
78912632 |
1 |
ClN3C14H18 |
AB3C14D18 |
27.36 |
0.78 |
-8.99 |
-0.83 |
0 |
|
|
197047 |
78912963 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-10.61 |
4.59 |
-9.29 |
-0.5 |
0 |
|
|
197048 |
78913148 |
1 |
BrN2O2C15H23 |
AB2C2D15E23 |
-87.59 |
3.73 |
-8.92 |
-0.16 |
0 |
|
|
197049 |
78913960 |
1 |
ON4C12H18 |
AB4C12D18 |
10.72 |
3.04 |
-8.57 |
-0.11 |
0 |
|
|
197050 |
78914135 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-102.62 |
4.53 |
-9.39 |
0.36 |
0 |
|
|
197051 |
78914173 |
1 |
ON4C16H20 |
AB4C16D20 |
-6.6 |
5.5 |
-9.64 |
-0.58 |
0 |
|
|
197052 |
78914243 |
1 |
ON3C13H17 |
AB3C13D17 |
25.42 |
5.42 |
-8.92 |
-0.36 |
0 |
|
|
197053 |
78914501 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-75.19 |
2.77 |
-8.94 |
-0.05 |
0 |
|
|
197054 |
78914570 |
1 |
FON3C16H16 |
ABC3D16E16 |
-11.06 |
3.77 |
-8.93 |
-0.2 |
0 |
|
|
197055 |
78914608 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-101.3 |
4.54 |
-8.6 |
0.57 |
0 |
|
|
197056 |
78914658 |
1 |
OBr2N2F3C11H11 |
AB2C2D3E11F11 |
-190.27 |
6.83 |
-9.67 |
-0.8 |
0 |
|
|
197057 |
78914659 |
1 |
O2F3N3C10H16 |
A2B3C3D10E16 |
-254.7 |
4.71 |
-9.61 |
0.23 |
0 |
|
|
197058 |
78914660 |
1 |
ClOF3N3C9H9 |
ABC3D3E9F9 |
-176.45 |
2.28 |
-9.63 |
-1.02 |
0 |
|
|
197059 |
78914661 |
1 |
ON2F5H9C10 |
AB2C5D9E10 |
-269.89 |
3.42 |
-9.65 |
-0.87 |
0 |
|
|
197060 |
78914662 |
1 |
ClOSN2F3C12H14 |
ABCD2E3F12G14 |
-164.91 |
5.41 |
-9.56 |
-0.78 |
0 |
|
|
197061 |
78914834 |
1 |
OF3N3C13H18 |
AB3C3D13E18 |
-185.74 |
6.03 |
-8.32 |
0.16 |
0 |
|
|
197062 |
78916077 |
2 |
N2C7H12 |
A2B7C12 |
8.76 |
3.92 |
-8.02 |
0.42 |
0 |
|
|
197063 |
78917146 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-63.85 |
6.65 |
-8.55 |
-0.12 |
0 |
|
|
197064 |
78917147 |
2 |
NOC3H7 |
ABC3D7 |
-102.42 |
3.71 |
-9.56 |
1.03 |
0 |
|
|
197065 |
78917285 |
1 |
NO3C17H19 |
AB3C17D19 |
-95.64 |
5.07 |
-8.93 |
-0.56 |
0 |
|
|
197066 |
78917286 |
1 |
BrNO3H14C15 |
ABC3D14E15 |
-76.13 |
8.52 |
-9.21 |
-0.84 |
0 |
|
|
197067 |
78917638 |
1 |
ON2C18H18 |
AB2C18D18 |
36.07 |
2.89 |
-8.46 |
-0.69 |
0 |
|
|
197068 |
78917639 |
1 |
BrSN2C17H17 |
ABC2D17E17 |
79.32 |
2.74 |
-9.2 |
-0.67 |
0 |
|
|
197069 |
78917640 |
1 |
SN3C17H19 |
AB3C17D19 |
74.92 |
2.23 |
-8.85 |
-0.92 |
0 |
|
|
197070 |
78917641 |
1 |
SN2C18H20 |
AB2C18D20 |
61.21 |
1.84 |
-8.78 |
-0.58 |
0 |
|
|
197071 |
78917665 |
1 |
FN2H17C18 |
AB2C17D18 |
21.99 |
3.92 |
-9.05 |
-0.82 |
0 |
|
|
197072 |
78917701 |
1 |
NOF2H11C16 |
ABC2D11E16 |
-64.53 |
2.13 |
-9.4 |
-0.82 |
0 |
|
|
197073 |
78918424 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-5.3 |
5.28 |
-8.69 |
-0.9 |
0 |
|
|
197074 |
78918565 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-170.53 |
4.68 |
-9.12 |
-0.18 |
0 |
|
|
197075 |
78918791 |
1 |
NO5C13H19 |
AB5C13D19 |
-240.61 |
8.55 |
-10.12 |
-0.56 |
0 |
|
|
197076 |
78918852 |
1 |
BrNSO3C15H18 |
ABCD3E15F18 |
-113.0 |
6.47 |
-8.58 |
-0.41 |
0 |
|
|
197077 |
78918853 |
1 |
NO3C17H23 |
AB3C17D23 |
-139.8 |
3.72 |
-9.04 |
0.34 |
0 |
|
|
197078 |
78918854 |
1 |
FNO3C16H20 |
ABC3D16E20 |
-178.28 |
4.74 |
-9.65 |
-0.43 |
0 |
|
|
197079 |
78918855 |
1 |
NO3C17H21 |
AB3C17D21 |
-110.83 |
5.37 |
-9.2 |
-0.51 |
0 |
|
|
197080 |
78919030 |
1 |
FNOC16H20 |
ABCD16E20 |
-90.65 |
5.26 |
-9.23 |
-0.29 |
0 |
|
|
197081 |
78919698 |
1 |
N3O4C11H15 |
A3B4C11D15 |
-160.22 |
5.79 |
-8.87 |
0.14 |
0 |
|
|
197082 |
78919889 |
1 |
ON3C17H19 |
AB3C17D19 |
43.34 |
5.05 |
-8.21 |
-0.24 |
0 |
|
|
197083 |
78919890 |
1 |
O2N3C16H19 |
A2B3C16D19 |
8.46 |
2.59 |
-8.44 |
0.03 |
0 |
|
|
197084 |
78919893 |
1 |
N3O4C11H15 |
A3B4C11D15 |
-149.84 |
5.68 |
-9.44 |
-0.4 |
0 |
|
|
197085 |
78919894 |
1 |
ON4C16H24 |
AB4C16D24 |
24.86 |
2.9 |
-8.57 |
0.43 |
0 |
|
|
197086 |
78920693 |
1 |
NSO4C11H21 |
ABC4D11E21 |
-211.92 |
3.89 |
-9.62 |
0.56 |
0 |
|
|
197087 |
78920851 |
1 |
ON4C11H20 |
AB4C11D20 |
-26.48 |
5.98 |
-9.17 |
0.57 |
0 |
|
|
197088 |
78920852 |
1 |
N3C16H23 |
A3B16C23 |
16.92 |
4.0 |
-8.83 |
-0.02 |
0 |
|
|
197089 |
78920910 |
5 |
NC2H3 |
AB2C3 |
77.34 |
7.76 |
-9.21 |
0.56 |
0 |
|
|
197090 |
78921011 |
3 |
NC5H7 |
AB5C7 |
47.86 |
2.98 |
-8.82 |
0.58 |
0 |
|
|
197091 |
78921148 |
1 |
ON3C9H17 |
AB3C9D17 |
-8.07 |
2.9 |
-8.76 |
0.9 |
0 |
|
|
197092 |
78921313 |
2 |
NOC7H10 |
ABC7D10 |
-67.01 |
2.99 |
-9.03 |
-0.12 |
0 |
|
|
197093 |
78921364 |
1 |
N2O6C13H14 |
A2B6C13D14 |
-147.42 |
7.57 |
-10.18 |
-1.78 |
0 |
|
|
197094 |
78921469 |
1 |
BrN3C12H14 |
AB3C12D14 |
68.48 |
4.36 |
-9.09 |
-0.04 |
0 |