List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
304045 |
124491694 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-16.74 |
4.21 |
-8.87 |
-0.43 |
0 |
|
|
304046 |
124491696 |
1 |
ClO2N3C15H18 |
AB2C3D15E18 |
-12.17 |
6.09 |
-8.86 |
-0.36 |
0 |
|
|
304047 |
124491698 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-18.64 |
4.21 |
-9.01 |
-0.47 |
0 |
|
|
304048 |
124491700 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-12.47 |
6.29 |
-8.92 |
-0.64 |
0 |
|
|
304049 |
124491702 |
1 |
ClO2N3C15H18 |
AB2C3D15E18 |
-9.25 |
1.52 |
-8.82 |
-0.61 |
0 |
|
|
304050 |
124491703 |
1 |
ClO2N3C15H18 |
AB2C3D15E18 |
-10.44 |
3.61 |
-8.94 |
-0.79 |
0 |
|
|
304051 |
124491706 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-95.87 |
3.0 |
-9.29 |
-0.98 |
0 |
|
|
304052 |
124491723 |
2 |
NO2C6H9 |
AB2C6D9 |
-146.01 |
2.26 |
-9.15 |
-0.39 |
0 |
|
|
304053 |
124491735 |
1 |
NOC12H21 |
ABC12D21 |
-50.12 |
2.41 |
-8.88 |
0.75 |
0 |
|
|
304054 |
124491747 |
1 |
ON4C11H20 |
AB4C11D20 |
-3.22 |
2.26 |
-8.62 |
0.68 |
0 |
|
|
304055 |
124491777 |
1 |
BrOC11H15 |
ABC11D15 |
-37.05 |
1.71 |
-9.55 |
-0.24 |
0 |
|
|
304056 |
124491810 |
1 |
BrSC10H13 |
ABC10D13 |
8.31 |
1.59 |
-8.74 |
-0.28 |
0 |
|
|
304057 |
124491823 |
1 |
BrOC10H13 |
ABC10D13 |
-30.48 |
2.78 |
-9.59 |
-0.16 |
0 |
|
|
304058 |
124491826 |
1 |
NOC12H19 |
ABC12D19 |
-46.15 |
2.76 |
-8.44 |
0.4 |
0 |
|
|
304059 |
124491829 |
1 |
NOC11H17 |
ABC11D17 |
-41.76 |
2.12 |
-8.46 |
0.37 |
0 |
|
|
304060 |
124491839 |
1 |
ON2C8H12 |
AB2C8D12 |
-24.02 |
2.22 |
-8.56 |
0.54 |
0 |
|
|
304061 |
124491882 |
1 |
NSO3H13C14 |
ABC3D13E14 |
-64.73 |
0.98 |
-8.53 |
-0.94 |
0 |
|
|
304062 |
124491945 |
1 |
NO3C17H25 |
AB3C17D25 |
-116.98 |
3.22 |
-8.64 |
0.32 |
0 |
|
|
304063 |
124491953 |
1 |
FNO2C16H22 |
ABC2D16E22 |
-135.97 |
3.1 |
-8.94 |
0.07 |
0 |
|
|
304064 |
124491969 |
1 |
ON2C15H24 |
AB2C15D24 |
-36.57 |
3.88 |
-8.74 |
0.21 |
0 |
|
|
304065 |
124492047 |
2 |
NOC6H12 |
ABC6D12 |
-110.04 |
3.89 |
-8.64 |
0.77 |
0 |
|
|
304066 |
124492063 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-93.37 |
3.62 |
-8.44 |
0.35 |
0 |
|
|
304067 |
124492074 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-116.5 |
2.59 |
-8.67 |
0.84 |
0 |
|
|
304068 |
124492107 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-119.46 |
2.27 |
-8.74 |
1.19 |
0 |
|
|
304069 |
124492125 |
2 |
NOC5H11 |
ABC5D11 |
-110.32 |
3.58 |
-8.73 |
0.88 |
0 |
|
|
304070 |
124492136 |
1 |
N2O3C12H24 |
A2B3C12D24 |
-147.88 |
2.54 |
-8.96 |
0.67 |
0 |
|
|
304071 |
124492137 |
1 |
N2O3C12H24 |
A2B3C12D24 |
-144.39 |
1.33 |
-8.88 |
0.8 |
0 |
|
|
304072 |
124492146 |
2 |
NOC7H11 |
ABC7D11 |
-87.61 |
2.08 |
-8.31 |
0.41 |
0 |
|
|
304073 |
124492148 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-127.05 |
1.08 |
-8.09 |
0.28 |
0 |
|
|
304074 |
124492299 |
1 |
ON2C11H14 |
AB2C11D14 |
-15.47 |
4.65 |
-9.69 |
-0.13 |
0 |
|
|
304075 |
124492321 |
2 |
NC7H11 |
AB7C11 |
0.05 |
0.62 |
-8.65 |
0.28 |
0 |
|
|
304076 |
124492324 |
1 |
ON2C17H18 |
AB2C17D18 |
2.69 |
3.32 |
-9.37 |
-0.17 |
0 |
|
|
304077 |
124492465 |
1 |
ON2C12H16 |
AB2C12D16 |
-33.8 |
3.31 |
-9.42 |
-0.27 |
0 |
|
|
304078 |
124492512 |
2 |
NC6H9 |
AB6C9 |
13.47 |
3.31 |
-8.76 |
0.23 |
0 |
|
|
304079 |
124492633 |
1 |
N2C13H20 |
A2B13C20 |
8.97 |
4.27 |
-8.69 |
0.1 |
0 |
|
|
304080 |
124492638 |
1 |
N2C15H24 |
A2B15C24 |
-4.64 |
2.87 |
-8.65 |
0.03 |
0 |
|
|
304081 |
124492672 |
1 |
ClN2C13H19 |
AB2C13D19 |
4.75 |
4.86 |
-8.93 |
-0.34 |
0 |
|
|
304082 |
124492716 |
1 |
ClN2C13H19 |
AB2C13D19 |
3.7 |
3.81 |
-8.88 |
-0.32 |
0 |
|
|
304083 |
124492724 |
1 |
ClN2C11H15 |
AB2C11D15 |
15.08 |
4.14 |
-8.91 |
-0.34 |
0 |
|
|
304084 |
124492725 |
1 |
ClN2C11H15 |
AB2C11D15 |
15.37 |
4.86 |
-8.75 |
-0.39 |
0 |
|
|
304085 |
124492728 |
1 |
ClN2C13H19 |
AB2C13D19 |
6.06 |
4.08 |
-8.82 |
-0.34 |
0 |
|
|
304086 |
124492759 |
1 |
BrN2O2C17H17 |
AB2C2D17E17 |
-40.64 |
4.33 |
-9.59 |
-0.57 |
0 |
|
|
304087 |
124492760 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-92.44 |
3.22 |
-9.66 |
-0.56 |
0 |
|
|
304088 |
124492761 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-92.35 |
4.98 |
-9.63 |
-0.44 |
0 |
|
|
304089 |
124492778 |
1 |
BrN2C13H19 |
AB2C13D19 |
4.95 |
5.3 |
-8.94 |
-0.29 |
0 |
|
|
304090 |
124492794 |
1 |
BrON2C12H15 |
ABC2D12E15 |
-33.03 |
2.32 |
-9.67 |
-0.68 |
0 |
|
|
304091 |
124492810 |
1 |
BrN2O2C17H17 |
AB2C2D17E17 |
-41.17 |
4.71 |
-9.7 |
-0.52 |
0 |
|
|
304092 |
124492814 |
1 |
BrN2C12H17 |
AB2C12D17 |
10.93 |
3.89 |
-8.69 |
-0.51 |
0 |
|
|
304093 |
124493210 |
1 |
ON2C20H26 |
AB2C20D26 |
-5.23 |
1.85 |
-8.65 |
0.01 |
0 |
|
|
304094 |
124493211 |
1 |
ON2C20H26 |
AB2C20D26 |
-7.16 |
2.39 |
-8.66 |
0.14 |
0 |