List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
22125 |
596041 |
1 |
NC11H17 |
AB11C17 |
10.94 |
1.74 |
-8.18 |
1.4 |
0 |
|
|
22126 |
596058 |
2 |
OC5H6 |
AB5C6 |
-62.18 |
4.15 |
-9.05 |
-0.38 |
0 |
|
|
22127 |
596059 |
6 |
NOC3H4 |
ABC3D4 |
-201.68 |
3.41 |
-8.53 |
-0.32 |
0 |
|
|
22128 |
596060 |
1 |
F4H4C7 |
A4B4C7 |
-164.77 |
3.19 |
-10.11 |
-0.82 |
0 |
|
|
22129 |
596061 |
2 |
OC5H6 |
AB5C6 |
-42.46 |
4.94 |
-9.94 |
-0.27 |
0 |
|
|
22130 |
596062 |
2 |
OC5H6 |
AB5C6 |
-77.43 |
5.3 |
-9.49 |
-0.03 |
0 |
|
|
22131 |
596063 |
1 |
O3C20H30 |
A3B20C30 |
-137.38 |
2.75 |
-9.77 |
0.44 |
0 |
|
|
22132 |
596064 |
1 |
NO4C11H13 |
AB4C11D13 |
-151.9 |
3.15 |
-8.6 |
-0.52 |
0 |
|
|
22133 |
596066 |
3 |
NOC5H5 |
ABC5D5 |
-29.29 |
6.56 |
-8.54 |
-0.69 |
0 |
|
|
22134 |
596067 |
1 |
FO3H15C17 |
AB3C15D17 |
-117.86 |
4.6 |
-9.08 |
-0.72 |
0 |
|
|
22135 |
596069 |
1 |
BrSiC5H11 |
ABC5D11 |
-26.26 |
2.94 |
-9.74 |
0.24 |
0 |
|
|
22136 |
596070 |
1 |
Cl4C7H10 |
A4B7C10 |
-39.24 |
2.63 |
-10.37 |
-0.59 |
0 |
|
|
22137 |
596071 |
1 |
O2S2Cl3H3N4C9 |
A2B2C3D3E4F9 |
84.79 |
1.92 |
-9.24 |
-2.77 |
0 |
|
|
22138 |
596075 |
1 |
ClOF2N2C19H27 |
ABC2D2E19F27 |
-165.21 |
6.17 |
-9.11 |
-0.59 |
0 |
|
|
22139 |
596077 |
1 |
ClOH7C10 |
ABC7D10 |
27.02 |
3.2 |
-9.69 |
-1.13 |
0 |
|
|
22140 |
596078 |
1 |
Cl2O2S2F3H3N4C10 |
A2B2C2D3E3F4G10 |
-43.82 |
3.89 |
-9.44 |
-2.66 |
0 |
|
|
22141 |
596079 |
1 |
OCl2N2H6C10 |
AB2C2D6E10 |
14.09 |
3.9 |
-10.12 |
-1.97 |
0 |
|
|
22142 |
596080 |
1 |
ClOF2N2H15C20 |
ABC2D2E15F20 |
-68.11 |
5.51 |
-9.19 |
-0.66 |
0 |
|
|
22143 |
596082 |
1 |
OC31H50 |
AB31C50 |
-117.05 |
3.24 |
-9.33 |
0.33 |
0 |
|
|
22144 |
596087 |
1 |
O2C11H14 |
A2B11C14 |
-86.46 |
2.8 |
-8.84 |
-0.15 |
0 |
|
|
22145 |
596088 |
1 |
ClO3C10H11 |
AB3C10D11 |
-108.23 |
5.81 |
-8.6 |
-0.41 |
0 |
|
|
22146 |
596089 |
2 |
OC7H10 |
AB7C10 |
-97.36 |
2.17 |
-8.95 |
0.19 |
0 |
|
|
22147 |
596090 |
2 |
OC7H10 |
AB7C10 |
-101.47 |
1.84 |
-9.01 |
0.19 |
0 |
|
|
22148 |
596093 |
1 |
N4O5C14H18 |
A4B5C14D18 |
-85.79 |
10.66 |
-8.7 |
-1.04 |
0 |
|
|
22149 |
596095 |
1 |
N2O2F3C7H7 |
A2B2C3D7E7 |
-207.34 |
2.07 |
-10.97 |
-1.08 |
0 |
|
|
22150 |
596096 |
1 |
NO4H7C8 |
AB4C7D8 |
-130.1 |
3.98 |
-8.58 |
-0.93 |
0 |
|
|
22151 |
596099 |
1 |
ClFOH8C10 |
ABCD8E10 |
-61.42 |
4.16 |
-9.92 |
-0.95 |
0 |
|
|
22152 |
596100 |
1 |
BrOSN2H11C15 |
ABCD2E11F15 |
45.39 |
1.04 |
-8.66 |
-1.18 |
0 |
|
|
22153 |
596105 |
1 |
ClSN2O3C18H19 |
ABC2D3E18F19 |
-53.78 |
3.71 |
-8.43 |
-0.72 |
0 |
|
|
22154 |
596106 |
1 |
BrNO5H10C16 |
ABC5D10E16 |
-41.52 |
3.99 |
-9.09 |
-1.84 |
0 |
|
|
22155 |
596107 |
1 |
NO4C9H9 |
AB4C9D9 |
-130.14 |
0.78 |
-8.61 |
-0.58 |
0 |
|
|
22156 |
596108 |
1 |
NO5H9C10 |
AB5C9D10 |
-165.32 |
2.24 |
-8.91 |
-1.02 |
0 |
|
|
22157 |
596110 |
1 |
ClOC11H15 |
ABC11D15 |
-54.43 |
3.66 |
-9.01 |
-0.03 |
0 |
|
|
22158 |
596114 |
1 |
NO2C12H15 |
AB2C12D15 |
-84.77 |
4.99 |
-8.33 |
0.16 |
0 |
|
|
22159 |
596116 |
1 |
OSC12H14 |
ABC12D14 |
-42.36 |
5.27 |
-8.74 |
-0.16 |
0 |
|
|
22160 |
596119 |
1 |
O2C17H28 |
A2B17C28 |
-152.46 |
1.98 |
-10.15 |
0.96 |
0 |
|
|
22161 |
596120 |
1 |
O2C19H32 |
A2B19C32 |
-162.62 |
2.06 |
-10.19 |
0.95 |
0 |
|
|
22162 |
596124 |
2 |
NOC6H8 |
ABC6D8 |
-6.91 |
0.5 |
-9.3 |
0.16 |
0 |
|
|
22163 |
596132 |
1 |
OC16H26 |
AB16C26 |
-67.69 |
3.72 |
-9.49 |
-0.28 |
0 |
|
|
22164 |
596133 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-128.88 |
3.42 |
-9.44 |
-0.57 |
0 |
|
|
22165 |
596135 |
3 |
OH4C5 |
AB4C5 |
-55.28 |
4.82 |
-8.98 |
-0.71 |
0 |
|
|
22166 |
596138 |
1 |
OS2C18H20 |
AB2C18D20 |
-9.91 |
2.04 |
-8.49 |
-0.16 |
0 |
|
|
22167 |
596143 |
1 |
N2O6H8C15 |
A2B6C8D15 |
-11.51 |
10.43 |
-10.05 |
-2.04 |
0 |
|
|
22168 |
596144 |
1 |
N2O6H8C15 |
A2B6C8D15 |
-18.96 |
7.68 |
-10.0 |
-2.16 |
0 |
|
|
22169 |
596146 |
2 |
O3H7C9 |
A3B7C9 |
-190.85 |
7.48 |
-10.37 |
-1.5 |
0 |
|
|
22170 |
596148 |
2 |
O2H7C8 |
A2B7C8 |
-27.19 |
0.43 |
-10.04 |
-0.72 |
0 |
|
|
22171 |
596149 |
1 |
O3N5C12H13 |
A3B5C12D13 |
-78.97 |
4.75 |
-9.14 |
-0.89 |
0 |
|
|
22172 |
596150 |
1 |
NSO2H11C16 |
ABC2D11E16 |
32.79 |
2.61 |
-9.11 |
-0.96 |
0 |
|
|
22173 |
596151 |
1 |
N3C18H25 |
A3B18C25 |
51.88 |
2.01 |
-7.9 |
0.32 |
0 |
|
|
22174 |
596153 |
1 |
NO5H11C15 |
AB5C11D15 |
-67.95 |
4.71 |
-10.64 |
-1.95 |
0 |
|
|
22175 |
596155 |
1 |
SN4H12C16 |
AB4C12D16 |
109.78 |
2.74 |
-9.13 |
-1.2 |
0 |
|
|
22176 |
596158 |
2 |
O2C9H9 |
A2B9C9 |
-128.05 |
4.41 |
-9.34 |
-0.72 |
0 |
|
|
22177 |
596159 |
1 |
NO4C17H17 |
AB4C17D17 |
-117.97 |
4.21 |
-8.33 |
-0.2 |
0 |
|
|
22178 |
596160 |
1 |
NO4C17H17 |
AB4C17D17 |
-138.45 |
8.83 |
-9.24 |
-0.75 |
0 |
|
|
22179 |
596162 |
1 |
SO5H12C15 |
AB5C12D15 |
-130.32 |
3.64 |
-9.06 |
-0.93 |
0 |
|
|
22180 |
596166 |
1 |
N2O2S2H14C15 |
A2B2C2D14E15 |
-13.45 |
5.41 |
-8.73 |
-0.74 |
0 |
|
|
22182 |
596174 |
1 |
O4C21H28 |
A4B21C28 |
-189.47 |
4.11 |
-9.84 |
-0.22 |
0 |
|
|
22183 |
596175 |
2 |
NO2H9C10 |
AB2C9D10 |
-98.13 |
3.4 |
-8.44 |
-0.91 |
0 |
|
|
22184 |
596209 |
1 |
ClN2O2C18H21 |
AB2C2D18E21 |
-56.25 |
5.05 |
-8.91 |
-0.55 |
0 |
|
|
22185 |
596210 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-64.21 |
2.09 |
-8.89 |
-0.57 |
0 |
|
|
22186 |
596211 |
1 |
OSN2C9H10 |
ABC2D9E10 |
9.52 |
5.57 |
-9.23 |
-0.96 |
0 |
|
|
22187 |
596212 |
1 |
NCl2O2C18H19 |
AB2C2D18E19 |
-52.8 |
3.98 |
-8.27 |
-0.32 |
0 |
|
|
22188 |
596213 |
1 |
FSN2O2C19H19 |
ABC2D2E19F19 |
-58.43 |
2.97 |
-8.95 |
-0.89 |
0 |
|
|
22189 |
596215 |
1 |
NO5F6C13H15 |
AB5C6D13E15 |
-530.67 |
3.16 |
-10.48 |
-0.99 |
0 |
|
|
22190 |
596219 |
1 |
NO3C19H25 |
AB3C19D25 |
-107.76 |
6.21 |
-8.37 |
0.14 |
0 |
|
|
22191 |
596220 |
1 |
ClNO2C9H20 |
ABC2D9E20 |
-104.94 |
3.4 |
-9.04 |
0.81 |
0 |
|
|
22192 |
596221 |
1 |
NO3C9H9 |
AB3C9D9 |
-29.56 |
6.08 |
-10.34 |
-1.32 |
0 |
|
|
22193 |
596227 |
2 |
NOC4H4 |
ABC4D4 |
-55.27 |
0.43 |
-9.17 |
-0.69 |
0 |
|
|
22194 |
596228 |
2 |
NOC7H11 |
ABC7D11 |
-9.65 |
2.14 |
-8.65 |
0.97 |
0 |
|
|
22195 |
596231 |
1 |
NO4C9H9 |
AB4C9D9 |
-127.92 |
2.42 |
-10.76 |
-1.35 |
0 |
|
|
22196 |
596232 |
1 |
OC11H16 |
AB11C16 |
15.09 |
4.55 |
-9.41 |
0.99 |
0 |
|
|
22197 |
596236 |
1 |
O3C14H20 |
A3B14C20 |
-148.38 |
6.33 |
-10.82 |
-0.11 |
0 |
|
|
22198 |
596237 |
2 |
OH2N2C3 |
AB2C2D3 |
106.23 |
4.35 |
-10.77 |
-1.47 |
0 |
|
|
22199 |
596238 |
1 |
SSeC8H12 |
ABC8D12 |
21.31 |
1.62 |
-8.49 |
-0.37 |
0 |
|
|
22200 |
596240 |
1 |
OC11H16 |
AB11C16 |
-37.16 |
1.26 |
-9.33 |
1.18 |
0 |