List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4797 |
12052 |
1 |
SiC6H16 |
AB6C16 |
-46.68 |
0.38 |
-9.59 |
1.29 |
0 |
|
|
4798 |
12054 |
1 |
PO5C7H7 |
AB5C7D7 |
-239.68 |
3.63 |
-10.65 |
-1.26 |
0 |
|
|
4799 |
12055 |
1 |
AsN2O4C8H11 |
AB2C4D8E11 |
-122.09 |
1.01 |
-9.04 |
-0.29 |
0 |
|
|
4800 |
12057 |
1 |
SO2C6H6 |
AB2C6D6 |
-46.35 |
3.76 |
-9.05 |
-0.5 |
0 |
|
|
4801 |
12058 |
1 |
NOC7H13 |
ABC7D13 |
-65.2 |
4.3 |
-9.3 |
1.16 |
0 |
|
|
4802 |
12059 |
1 |
OC9H12 |
AB9C12 |
-40.94 |
2.03 |
-8.94 |
0.27 |
0 |
|
|
4803 |
12062 |
1 |
N2O2C7H8 |
A2B2C7D8 |
-65.85 |
6.56 |
-8.79 |
-0.42 |
0 |
|
|
4804 |
12065 |
1 |
I2O3H4C7 |
A2B3C4D7 |
-69.2 |
4.57 |
-9.85 |
-1.8 |
0 |
|
|
4805 |
12066 |
1 |
NCl2H3O3C6 |
AB2C3D3E6 |
-40.18 |
4.47 |
-10.09 |
-1.79 |
0 |
|
|
4806 |
12068 |
1 |
N3O4H5C6 |
A3B4C5D6 |
15.78 |
6.48 |
-9.82 |
-2.11 |
0 |
|
|
4807 |
12069 |
1 |
NH5O6C8 |
AB5C6D8 |
-138.95 |
1.1 |
-11.8 |
-2.43 |
0 |
|
|
4808 |
12070 |
1 |
BrO2H7C8 |
AB2C7D8 |
-57.95 |
0.59 |
-9.96 |
-0.97 |
0 |
|
|
4809 |
12072 |
1 |
OC10H18 |
AB10C18 |
-65.49 |
2.77 |
-9.38 |
1.63 |
0 |
|
|
4810 |
12073 |
1 |
O2C9H10 |
A2B9C10 |
-77.83 |
6.61 |
-9.77 |
-0.56 |
0 |
|
|
4811 |
12077 |
1 |
O3H6C8 |
A3B6C8 |
-84.47 |
5.67 |
-10.72 |
-1.39 |
0 |
|
|
4812 |
12079 |
1 |
N2O2H4C7 |
A2B2C4D7 |
52.74 |
4.47 |
-11.03 |
-1.89 |
0 |
|
|
4813 |
12080 |
2 |
ClOC3H6 |
ABC3D6 |
-122.55 |
3.05 |
-10.39 |
0.16 |
0 |
|
|
4814 |
12082 |
1 |
NO2C8H9 |
AB2C8D9 |
-65.97 |
4.22 |
-8.9 |
-0.3 |
0 |
|
|
4815 |
12084 |
1 |
ClNOH6C7 |
ABCD6E7 |
-28.32 |
3.54 |
-9.93 |
-0.73 |
0 |
|
|
4816 |
12086 |
1 |
O2C9H10 |
A2B9C10 |
-73.24 |
6.15 |
-10.09 |
-0.67 |
0 |
|
|
4817 |
12089 |
1 |
N2O2C7H8 |
A2B2C7D8 |
-41.85 |
5.25 |
-9.25 |
-0.73 |
0 |
|
|
4818 |
12090 |
1 |
N2O2H4C7 |
A2B2C4D7 |
52.75 |
1.37 |
-11.14 |
-2.06 |
0 |
|
|
4819 |
12091 |
1 |
N2O3H6C7 |
A2B3C6D7 |
-21.88 |
4.82 |
-10.91 |
-1.79 |
0 |
|
|
4820 |
12092 |
1 |
NO2C9H11 |
AB2C9D11 |
-61.35 |
7.94 |
-8.73 |
-0.38 |
0 |
|
|
4821 |
12094 |
1 |
NO4C9H9 |
AB4C9D9 |
-77.26 |
6.15 |
-10.61 |
-1.48 |
0 |
|
|
4822 |
12096 |
2 |
C4H9 |
A4B9 |
-44.17 |
0.08 |
-10.75 |
4.11 |
0 |
|
|
4823 |
12097 |
2 |
OC3H3 |
AB3C3 |
-41.59 |
3.68 |
-9.54 |
-0.63 |
0 |
|
|
4824 |
12099 |
1 |
BrC8H9 |
AB8C9 |
8.99 |
2.07 |
-9.34 |
-0.53 |
0 |
|
|
4825 |
12102 |
1 |
ClC8H9 |
AB8C9 |
-0.64 |
2.34 |
-9.4 |
-0.09 |
0 |
|
|
4826 |
12103 |
1 |
Cl2H6C7 |
A2B6C7 |
-0.55 |
2.3 |
-9.7 |
-0.52 |
0 |
|
|
4827 |
12104 |
1 |
NH7C8 |
AB7C8 |
45.12 |
4.53 |
-9.85 |
-0.6 |
0 |
|
|
4828 |
12105 |
1 |
OC8H8 |
AB8C8 |
-12.74 |
4.03 |
-9.64 |
-0.67 |
0 |
|
|
4829 |
12106 |
1 |
PO3C21H21 |
AB3C21D21 |
-107.55 |
2.55 |
-8.76 |
0.11 |
0 |
|
|
4830 |
12108 |
1 |
ClO2H7C8 |
AB2C7D8 |
-63.93 |
2.65 |
-9.55 |
-0.23 |
0 |
|
|
4831 |
12111 |
1 |
O2H12C13 |
A2B12C13 |
-47.62 |
0.35 |
-8.8 |
0.08 |
0 |
|
|
4832 |
12112 |
1 |
NH11C12 |
AB11C12 |
51.84 |
2.47 |
-9.49 |
-0.12 |
0 |
|
|
4833 |
12115 |
1 |
ON2C9H12 |
AB2C9D12 |
-27.71 |
4.18 |
-8.71 |
0.27 |
0 |
|
|
4834 |
12116 |
1 |
OSC14H14 |
ABC14D14 |
16.1 |
3.8 |
-8.47 |
0.06 |
0 |
|
|
4835 |
12118 |
1 |
NOC12H17 |
ABC12D17 |
-46.86 |
3.83 |
-8.82 |
0.12 |
0 |
|
|
4836 |
12119 |
1 |
NOC8H11 |
ABC8D11 |
-26.98 |
2.64 |
-7.98 |
0.17 |
0 |
|
|
4837 |
12122 |
1 |
O3C8H8 |
A3B8C8 |
-113.73 |
3.68 |
-9.6 |
-0.46 |
0 |
|
|
4838 |
12126 |
1 |
O3C9H10 |
A3B9C10 |
-105.81 |
7.0 |
-9.39 |
-0.73 |
0 |
|
|
4839 |
12129 |
1 |
O3C6H14 |
A3B6C14 |
-152.25 |
2.8 |
-10.1 |
1.65 |
0 |
|
|
4840 |
12131 |
1 |
O6C21H38 |
A6B21C38 |
-339.2 |
3.64 |
-10.65 |
0.64 |
0 |
|
|
4841 |
12133 |
1 |
NC15H33 |
AB15C33 |
-61.91 |
1.26 |
-8.48 |
2.78 |
0 |
|
|
4843 |
12136 |
1 |
NO2C8H9 |
AB2C8D9 |
-66.43 |
2.26 |
-9.68 |
-0.01 |
0 |
|
|
4844 |
12137 |
1 |
N3C13H13 |
A3B13C13 |
92.92 |
3.15 |
-8.26 |
-0.83 |
0 |
|
|
4845 |
12138 |
2 |
NC7H8 |
AB7C8 |
34.33 |
2.11 |
-8.18 |
0.49 |
0 |
|
|
4846 |
12139 |
1 |
SN4C13H14 |
AB4C13D14 |
103.85 |
2.91 |
-8.1 |
-0.36 |
0 |
|
|
4847 |
12140 |
1 |
O3C15H16 |
A3B15C16 |
-76.43 |
1.42 |
-8.99 |
0.06 |
0 |
|
|
4848 |
12141 |
1 |
O2C9H12 |
A2B9C12 |
-65.15 |
2.23 |
-9.53 |
0.19 |
0 |
|
|
4849 |
12144 |
1 |
SC8H10 |
AB8C10 |
16.2 |
1.74 |
-8.56 |
-0.08 |
0 |
|
|
4850 |
12145 |
1 |
NCl2H5C7 |
AB2C5D7 |
33.02 |
1.6 |
-9.53 |
-0.66 |
0 |
|
|
4851 |
12150 |
2 |
OC4H5 |
AB4C5 |
-66.33 |
1.4 |
-8.38 |
0.0 |
0 |
|
|
4852 |
12151 |
1 |
O5N6H12C13 |
A5B6C12D13 |
51.19 |
3.97 |
-9.48 |
-1.77 |
0 |
|
|
4853 |
12158 |
1 |
BrN2C6H7 |
AB2C6D7 |
43.6 |
1.39 |
-8.8 |
-0.23 |
0 |
|
|
4854 |
12159 |
1 |
NOC7H17 |
ABC7D17 |
-64.86 |
2.87 |
-8.63 |
2.56 |
0 |
|
|
4855 |
12160 |
3 |
C3H4 |
A3B4 |
0.53 |
0.16 |
-8.92 |
0.52 |
0 |
|
|
4856 |
12162 |
1 |
BrNH4C7 |
ABC4D7 |
58.06 |
2.44 |
-10.1 |
-1.1 |
0 |
|
|
4857 |
12164 |
1 |
ClHgOH5C6 |
ABCD5E6 |
45.66 |
4.84 |
-8.75 |
-2.39 |
0 |
|
|
4858 |
12165 |
1 |
NC8H11 |
AB8C11 |
13.55 |
1.59 |
-8.06 |
0.52 |
0 |
|
|
4859 |
12166 |
1 |
NOC7H7 |
ABC7D7 |
36.08 |
4.33 |
-9.1 |
-1.2 |
0 |
|
|
4860 |
12167 |
1 |
ClOC7H7 |
ABC7D7 |
-26.8 |
2.92 |
-8.89 |
-0.13 |
0 |
|
|
4861 |
12171 |
2 |
ClC4H4 |
AB4C4 |
-5.17 |
0.02 |
-9.68 |
-0.54 |
0 |
|
|
4862 |
12174 |
1 |
O2H6C7 |
A2B6C7 |
-21.03 |
4.01 |
-9.44 |
-1.13 |
0 |
|
|
4863 |
12175 |
1 |
ClNO2C4H10 |
ABC2D4E10 |
-132.64 |
5.08 |
-10.72 |
0.23 |
0 |
|
|
4864 |
12179 |
1 |
O2C5H8 |
A2B5C8 |
-82.51 |
3.87 |
-10.2 |
0.2 |
0 |
|
|
4865 |
12189 |
1 |
O3C8H10 |
A3B8C10 |
-108.03 |
5.09 |
-10.64 |
-0.47 |
0 |
|
|
4866 |
12190 |
1 |
O3C5H12 |
A3B5C12 |
-134.48 |
2.23 |
-9.97 |
1.61 |
0 |
|
|
4867 |
12201 |
4 |
OC2H3 |
AB2C3 |
-169.47 |
0.74 |
-11.07 |
-1.13 |
0 |
|
|
4868 |
12203 |
1 |
OC10H20 |
AB10C20 |
-85.49 |
3.1 |
-9.9 |
0.75 |
0 |
|
|
4869 |
12204 |
1 |
O4C13H24 |
A4B13C24 |
-226.21 |
1.45 |
-10.79 |
0.79 |
0 |
|
|
4870 |
12205 |
2 |
ClNC3H5 |
ABC3D5 |
-44.28 |
5.63 |
-8.62 |
-0.37 |
0 |
|
|
4871 |
12207 |
1 |
IC7H7 |
AB7C7 |
29.75 |
2.41 |
-9.17 |
-0.72 |
0 |
|
|
4872 |
12209 |
1 |
O2C7H14 |
A2B7C14 |
-120.44 |
1.92 |
-10.86 |
0.85 |
0 |