List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
199045 |
79190586 |
1 |
O2C13H16 |
A2B13C16 |
-65.65 |
2.59 |
-8.83 |
0.02 |
0 |
|
|
199046 |
79190587 |
1 |
OC12H20 |
AB12C20 |
-69.91 |
3.14 |
-9.41 |
0.27 |
0 |
|
|
199047 |
79190588 |
1 |
OCl2H10C11 |
AB2C10D11 |
-22.17 |
5.08 |
-9.36 |
-0.49 |
0 |
|
|
199048 |
79190589 |
1 |
BrOC11H11 |
ABC11D11 |
-5.61 |
3.08 |
-9.51 |
-0.13 |
0 |
|
|
199049 |
79190590 |
1 |
BrOC12H13 |
ABC12D13 |
-21.38 |
2.47 |
-9.44 |
-0.15 |
0 |
|
|
199050 |
79190591 |
2 |
OH5C6 |
AB5C6 |
-12.37 |
2.74 |
-9.43 |
-1.05 |
0 |
|
|
199051 |
79190782 |
1 |
OC15H22 |
AB15C22 |
-49.71 |
2.63 |
-9.11 |
0.38 |
0 |
|
|
199052 |
79191020 |
1 |
OC12H14 |
AB12C14 |
-24.11 |
3.77 |
-9.34 |
-0.27 |
0 |
|
|
199053 |
79191375 |
1 |
ClNO2C12H16 |
ABC2D12E16 |
-99.88 |
1.35 |
-9.59 |
-0.23 |
0 |
|
|
199054 |
79191755 |
1 |
N2O2C11H22 |
A2B2C11D22 |
-121.97 |
3.82 |
-8.94 |
1.35 |
0 |
|
|
199055 |
79191898 |
1 |
NO3C13H19 |
AB3C13D19 |
-127.38 |
2.13 |
-8.84 |
0.31 |
0 |
|
|
199056 |
79192395 |
1 |
NO3C10H19 |
AB3C10D19 |
-154.25 |
0.87 |
-9.4 |
0.97 |
0 |
|
|
199057 |
79192896 |
2 |
NOC8H13 |
ABC8D13 |
-93.75 |
2.97 |
-8.55 |
0.17 |
0 |
|
|
199058 |
79193186 |
1 |
N3O3C12H23 |
A3B3C12D23 |
-154.55 |
5.13 |
-9.43 |
0.73 |
0 |
|
|
199059 |
79193309 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-104.26 |
7.18 |
-8.81 |
0.04 |
0 |
|
|
199060 |
79193310 |
1 |
ClN2O3C15H17 |
AB2C3D15E17 |
-109.1 |
5.86 |
-9.57 |
-0.31 |
0 |
|
|
199061 |
79193507 |
1 |
ClNO2C14H20 |
ABC2D14E20 |
-99.85 |
4.04 |
-9.62 |
-0.36 |
0 |
|
|
199062 |
79193508 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-120.3 |
3.71 |
-9.32 |
0.43 |
0 |
|
|
199063 |
79193509 |
1 |
NO2C13H27 |
AB2C13D27 |
-145.99 |
3.12 |
-9.74 |
1.18 |
0 |
|
|
199064 |
79193510 |
1 |
NO2C16H25 |
AB2C16D25 |
-110.11 |
5.27 |
-8.64 |
0.13 |
0 |
|
|
199065 |
79193511 |
1 |
NSO4C14H21 |
ABC4D14E21 |
-189.25 |
4.98 |
-8.81 |
-0.54 |
0 |
|
|
199066 |
79193515 |
1 |
NSO4C12H17 |
ABC4D12E17 |
-168.24 |
5.3 |
-9.62 |
-0.51 |
0 |
|
|
199067 |
79193778 |
2 |
NOC5H5 |
ABC5D5 |
-18.46 |
5.23 |
-10.01 |
-0.85 |
0 |
|
|
199068 |
79193847 |
1 |
ON3C10H15 |
AB3C10D15 |
-21.53 |
7.94 |
-10.06 |
0.21 |
0 |
|
|
199069 |
79194170 |
1 |
SN2O5H8C9 |
AB2C5D8E9 |
-136.04 |
6.28 |
-10.54 |
-1.47 |
0 |
|
|
199070 |
79194171 |
1 |
SN2O5H10C11 |
AB2C5D10E11 |
-123.5 |
7.51 |
-10.04 |
-1.46 |
0 |
|
|
199071 |
79194240 |
2 |
NOC4H6 |
ABC4D6 |
-67.2 |
2.52 |
-9.91 |
0.0 |
0 |
|
|
199072 |
79194254 |
1 |
N3O3C7H7 |
A3B3C7D7 |
-12.51 |
7.99 |
-10.61 |
-1.3 |
0 |
|
|
199073 |
79194521 |
1 |
N2F3H11C12 |
A2B3C11D12 |
-93.81 |
6.97 |
-8.65 |
-0.49 |
0 |
|
|
199074 |
79194658 |
1 |
O2F3N3C7H10 |
A2B3C3D7E10 |
-252.63 |
2.26 |
-9.97 |
-0.54 |
0 |
|
|
199075 |
79194659 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-76.57 |
7.09 |
-8.68 |
-0.45 |
0 |
|
|
199076 |
79194869 |
1 |
NOF3H10C12 |
ABC3D10E12 |
-157.75 |
7.23 |
-8.95 |
-0.66 |
0 |
|
|
199077 |
79195060 |
1 |
O2N3H7C8 |
A2B3C7D8 |
-8.68 |
7.25 |
-10.16 |
-1.28 |
0 |
|
|
199078 |
79195061 |
1 |
F2H3N3O3C8 |
A2B3C3D3E8 |
-66.86 |
4.95 |
-11.32 |
-2.32 |
0 |
|
|
199079 |
79195062 |
1 |
OSN4C9H10 |
ABC4D9E10 |
21.19 |
6.3 |
-9.3 |
-1.25 |
0 |
|
|
199080 |
79195271 |
1 |
ON4H6C9 |
AB4C6D9 |
61.12 |
6.72 |
-9.73 |
-1.1 |
0 |
|
|
199081 |
79195580 |
1 |
ON2C12H26 |
AB2C12D26 |
-93.09 |
5.18 |
-8.9 |
1.16 |
0 |
|
|
199082 |
79195803 |
1 |
SN2O2F3C11H11 |
AB2C2D3E11F11 |
-196.19 |
5.07 |
-10.43 |
-1.08 |
0 |
|
|
199083 |
79195804 |
1 |
O2S2N4C11H12 |
A2B2C4D11E12 |
-9.54 |
3.15 |
-8.97 |
-1.27 |
0 |
|
|
199084 |
79195861 |
1 |
ON3C14H23 |
AB3C14D23 |
-28.21 |
5.39 |
-8.6 |
0.19 |
0 |
|
|
199085 |
79195862 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-80.87 |
6.82 |
-8.89 |
-0.18 |
0 |
|
|
199086 |
79195863 |
1 |
ClON3C14H16 |
ABC3D14E16 |
-9.78 |
7.67 |
-8.52 |
-0.85 |
0 |
|
|
199087 |
79195864 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-82.36 |
4.62 |
-8.64 |
0.01 |
0 |
|
|
199088 |
79195897 |
1 |
FON2C13H19 |
ABC2D13E19 |
-86.83 |
6.08 |
-9.38 |
-0.02 |
0 |
|
|
199089 |
79196014 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-84.18 |
7.37 |
-8.74 |
-0.03 |
0 |
|
|
199090 |
79196041 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-60.01 |
2.99 |
-8.87 |
0.26 |
0 |
|
|
199091 |
79196696 |
1 |
ON2F3C12H21 |
AB2C3D12E21 |
-242.82 |
4.69 |
-9.15 |
0.95 |
0 |
|
|
199092 |
79196697 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-109.62 |
5.75 |
-8.51 |
-0.5 |
0 |
|
|
199093 |
79196698 |
1 |
ClION2C11H14 |
ABCD2E11F14 |
-22.76 |
2.36 |
-9.09 |
-1.02 |
0 |
|
|
199094 |
79196699 |
2 |
ON2C7H9 |
AB2C7D9 |
-22.94 |
10.41 |
-8.79 |
-0.83 |
0 |