List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
276100 |
103820565 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-91.98 |
3.42 |
-9.64 |
-0.94 |
0 |
|
|
276101 |
103820577 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-60.84 |
0.08 |
-9.51 |
-0.77 |
0 |
|
|
276102 |
103820578 |
1 |
NO3C9H19 |
AB3C9D19 |
-165.43 |
3.08 |
-10.08 |
0.65 |
0 |
|
|
276103 |
103820593 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-88.84 |
4.12 |
-8.85 |
-0.36 |
0 |
|
|
276104 |
103820597 |
1 |
N3O4C12H19 |
A3B4C12D19 |
-92.72 |
4.75 |
-10.3 |
-1.49 |
0 |
|
|
276105 |
103820606 |
1 |
ClNO2C16H22 |
ABC2D16E22 |
-87.38 |
3.83 |
-9.63 |
-0.79 |
0 |
|
|
276106 |
103820612 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-81.47 |
4.64 |
-8.99 |
-0.22 |
0 |
|
|
276107 |
103820617 |
1 |
BrNO2C17H24 |
ABC2D17E24 |
-86.02 |
4.53 |
-9.54 |
-0.61 |
0 |
|
|
276108 |
103820624 |
1 |
FN2O4C14H19 |
AB2C4D14E19 |
-138.58 |
5.97 |
-10.15 |
-1.77 |
0 |
|
|
276109 |
103820634 |
1 |
N3O4C13H21 |
A3B4C13D21 |
-102.54 |
3.96 |
-10.15 |
-0.92 |
0 |
|
|
276110 |
103820646 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-62.08 |
1.33 |
-9.33 |
-0.56 |
0 |
|
|
276111 |
103820653 |
1 |
N3O3C11H19 |
A3B3C11D19 |
-135.62 |
1.81 |
-9.36 |
-0.41 |
0 |
|
|
276112 |
103820658 |
1 |
SN2O2C11H20 |
AB2C2D11E20 |
-91.82 |
3.98 |
-9.43 |
-0.37 |
0 |
|
|
276113 |
103820660 |
1 |
FNO3C16H20 |
ABC3D16E20 |
-180.55 |
4.33 |
-9.59 |
-0.35 |
0 |
|
|
276114 |
103820661 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-102.12 |
2.51 |
-8.85 |
-0.07 |
0 |
|
|
276115 |
103820664 |
1 |
ClINO2C12H15 |
ABCD2E12F15 |
-74.72 |
5.26 |
-9.67 |
-1.36 |
0 |
|
|
276116 |
103820706 |
1 |
ClN3O4C12H14 |
AB3C4D12E14 |
-68.19 |
7.07 |
-9.93 |
-2.08 |
0 |
|
|
276117 |
103820709 |
1 |
NO3C11H21 |
AB3C11D21 |
-157.58 |
1.89 |
-9.27 |
0.89 |
0 |
|
|
276118 |
103820716 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-128.73 |
4.36 |
-9.17 |
-0.52 |
0 |
|
|
276119 |
103820720 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-72.05 |
3.64 |
-9.38 |
-1.01 |
0 |
|
|
276120 |
103820726 |
1 |
N2O3C11H18 |
A2B3C11D18 |
-147.41 |
6.92 |
-9.7 |
0.5 |
0 |
|
|
276121 |
103820728 |
2 |
NOC6H7 |
ABC6D7 |
-51.25 |
6.11 |
-9.9 |
-0.69 |
0 |
|
|
276122 |
103820733 |
1 |
NO3C8H17 |
AB3C8D17 |
-155.97 |
2.69 |
-9.95 |
0.78 |
0 |
|
|
276123 |
103820744 |
1 |
BrFNO2C10H11 |
ABCD2E10F11 |
-116.59 |
2.61 |
-9.96 |
-0.86 |
0 |
|
|
276124 |
103820751 |
1 |
N2O2C9H20 |
A2B2C9D20 |
-120.81 |
3.99 |
-9.18 |
1.08 |
0 |
|
|
276125 |
103820760 |
1 |
ClN2O4C10H11 |
AB2C4D10E11 |
-81.17 |
4.37 |
-10.19 |
-1.61 |
0 |
|
|
276126 |
103820762 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-117.11 |
3.31 |
-9.25 |
-0.66 |
0 |
|
|
276127 |
103820770 |
1 |
BrN2O2C9H11 |
AB2C2D9E11 |
-71.71 |
1.42 |
-9.78 |
-1.06 |
0 |
|
|
276128 |
103820782 |
1 |
N2O3C8H14 |
A2B3C8D14 |
-148.14 |
2.44 |
-9.98 |
0.64 |
0 |
|
|
276129 |
103820788 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-73.22 |
2.7 |
-8.54 |
0.3 |
0 |
|
|
276130 |
103820791 |
1 |
NO3C17H21 |
AB3C17D21 |
-79.11 |
2.38 |
-9.12 |
0.08 |
0 |
|
|
276131 |
103820809 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-66.6 |
4.44 |
-8.43 |
-0.54 |
0 |
|
|
276132 |
103820829 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-134.31 |
3.84 |
-8.95 |
0.65 |
0 |
|
|
276133 |
103820836 |
2 |
NO2C8H11 |
AB2C8D11 |
-176.26 |
6.73 |
-8.88 |
-0.61 |
0 |
|
|
276134 |
103820841 |
1 |
ClSO2N3C16H20 |
ABC2D3E16F20 |
-74.02 |
2.51 |
-8.39 |
-0.84 |
0 |
|
|
276135 |
103820843 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-167.58 |
9.2 |
-9.2 |
-0.63 |
0 |
|
|
276136 |
103820851 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-117.06 |
2.07 |
-8.23 |
0.41 |
0 |
|
|
276137 |
103820853 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-78.45 |
1.49 |
-8.3 |
-0.33 |
0 |
|
|
276138 |
103820857 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-113.62 |
3.37 |
-9.04 |
0.41 |
0 |
|
|
276139 |
103820861 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-70.17 |
4.47 |
-8.89 |
-0.92 |
0 |
|
|
276140 |
103820867 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-61.35 |
5.75 |
-8.28 |
-0.51 |
0 |
|
|
276141 |
103820873 |
1 |
BrN2O2C18H27 |
AB2C2D18E27 |
-101.6 |
4.76 |
-9.3 |
0.03 |
0 |
|
|
276142 |
103820875 |
1 |
FN3O3C16H22 |
AB3C3D16E22 |
-180.98 |
5.95 |
-8.85 |
-0.59 |
0 |
|
|
276143 |
103820878 |
2 |
ON2C8H13 |
AB2C8D13 |
-82.6 |
2.91 |
-8.45 |
-0.02 |
0 |
|
|
276144 |
103820901 |
1 |
FN2O4C16H21 |
AB2C4D16E21 |
-220.85 |
7.62 |
-9.0 |
-0.9 |
0 |
|
|
276145 |
103820912 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-183.89 |
6.73 |
-9.16 |
-0.52 |
0 |
|
|
276146 |
103820926 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-142.8 |
2.64 |
-9.12 |
0.06 |
0 |
|
|
276147 |
103820947 |
1 |
ClN2O3C17H25 |
AB2C3D17E25 |
-149.65 |
3.16 |
-8.33 |
-0.1 |
0 |
|
|
276148 |
103820951 |
2 |
ON2C8H11 |
AB2C8D11 |
-59.17 |
3.31 |
-8.23 |
-0.03 |
0 |
|
|
276149 |
103820955 |
1 |
BrN2O3C17H25 |
AB2C3D17E25 |
-139.6 |
3.38 |
-8.52 |
-0.12 |
0 |