List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
6098 |
66964 |
1 |
NC22H48 |
AB22C48 |
-64.11 |
0.24 |
0.0 |
0.0 |
1 |
|
|
6099 |
66965 |
1 |
ON3C4H9 |
AB3C4D9 |
-32.5 |
4.49 |
-9.21 |
0.52 |
0 |
|
|
6100 |
66966 |
2 |
NOC19H36 |
ABC19D36 |
-212.35 |
6.34 |
-9.19 |
0.93 |
0 |
|
|
6101 |
66968 |
1 |
O3C17H34 |
A3B17C34 |
-198.66 |
3.01 |
-9.91 |
0.67 |
0 |
|
|
6102 |
66969 |
1 |
NOC6H11 |
ABC6D11 |
-34.71 |
3.94 |
-10.2 |
1.13 |
0 |
|
|
6103 |
67009 |
2 |
N3H5O8C13 |
A3B5C8D13 |
-19.35 |
3.44 |
-10.89 |
-2.7 |
0 |
|
|
6104 |
67025 |
1 |
SO4H8C10 |
AB4C8D10 |
-126.24 |
4.83 |
-9.24 |
-1.4 |
0 |
|
|
6105 |
67032 |
1 |
NS2H7O8C10 |
AB2C7D8E10 |
-202.46 |
5.39 |
-10.77 |
-2.55 |
0 |
|
|
6106 |
67042 |
1 |
O4H8C13 |
A4B8C13 |
-104.06 |
8.13 |
-9.39 |
-1.51 |
0 |
|
|
6107 |
67052 |
1 |
ClNO2F3H3C7 |
ABC2D3E3F7 |
-145.59 |
5.34 |
-10.82 |
-2.14 |
0 |
|
|
6108 |
67060 |
1 |
SN2O4C10H10 |
AB2C4D10E10 |
-111.26 |
8.75 |
-9.18 |
-0.83 |
0 |
|
|
6109 |
67072 |
1 |
S2N3O7H17C18 |
A2B3C7D17E18 |
-202.37 |
9.03 |
-8.87 |
-0.97 |
0 |
|
|
6110 |
67073 |
1 |
N3O4C10H11 |
A3B4C10D11 |
-89.5 |
5.11 |
-9.56 |
-1.24 |
0 |
|
|
6111 |
67075 |
1 |
N2O4C9H10 |
A2B4C9D10 |
-73.03 |
3.5 |
-8.93 |
-1.55 |
0 |
|
|
6112 |
67077 |
1 |
ON2C12H16 |
AB2C12D16 |
-7.47 |
4.25 |
-8.6 |
0.23 |
0 |
|
|
6113 |
67078 |
1 |
ON2C13H16 |
AB2C13D16 |
2.57 |
7.0 |
-8.8 |
-0.45 |
0 |
|
|
6114 |
67079 |
1 |
HgO2C18H23 |
AB2C18D23 |
-65.78 |
0.95 |
0.0 |
0.0 |
0 |
|
|
6115 |
67080 |
2 |
O2C11H15 |
A2B11C15 |
-183.18 |
1.99 |
-8.71 |
0.3 |
0 |
|
|
6116 |
67081 |
1 |
O4C29H34 |
A4B29C34 |
-167.81 |
1.27 |
-8.82 |
-0.72 |
0 |
|
|
6117 |
67082 |
8 |
OC3H4 |
AB3C4 |
-363.87 |
5.05 |
-8.95 |
-0.21 |
0 |
|
|
6118 |
67083 |
1 |
O3C28H40 |
A3B28C40 |
-176.91 |
1.95 |
-8.73 |
0.28 |
0 |
|
|
6119 |
67084 |
1 |
NO2C20H25 |
AB2C20D25 |
-68.08 |
1.47 |
-8.49 |
0.43 |
0 |
|
|
6120 |
67085 |
1 |
IO2C20H23 |
AB2C20D23 |
-16.83 |
2.98 |
-8.86 |
-0.77 |
0 |
|
|
6121 |
67086 |
1 |
O2C27H40 |
A2B27C40 |
-134.59 |
1.84 |
-8.39 |
0.51 |
0 |
|
|
6122 |
67088 |
1 |
ClO2C19H25 |
AB2C19D25 |
-114.65 |
1.38 |
-8.66 |
0.36 |
0 |
|
|
6123 |
67089 |
1 |
IO3C21H25 |
AB3C21D25 |
-69.5 |
0.82 |
-8.74 |
-1.02 |
0 |
|
|
6124 |
67102 |
1 |
O3C19H26 |
A3B19C26 |
-155.6 |
2.59 |
-8.44 |
0.28 |
0 |
|
|
6125 |
67104 |
1 |
N2C5H14 |
A2B5C14 |
-8.02 |
0.26 |
-8.93 |
2.68 |
0 |
|
|
6126 |
67105 |
2 |
NC3H8 |
AB3C8 |
-15.89 |
2.87 |
-8.86 |
2.89 |
0 |
|
|
6128 |
67108 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-83.63 |
3.35 |
-7.59 |
-0.32 |
0 |
|
|
6129 |
67109 |
1 |
N2S2O9C15H16 |
A2B2C9D15E16 |
-314.83 |
6.88 |
-9.45 |
-0.9 |
0 |
|
|
6130 |
67110 |
1 |
ClN3O3C10H12 |
AB3C3D10E12 |
-55.77 |
5.09 |
-8.92 |
-0.76 |
0 |
|
|
6131 |
67112 |
1 |
O4C11H14 |
A4B11C14 |
-151.92 |
5.41 |
-8.71 |
-0.26 |
0 |
|
|
6132 |
67113 |
1 |
NOC10H13 |
ABC10D13 |
-24.06 |
1.66 |
-7.78 |
0.38 |
0 |
|
|
6133 |
67114 |
1 |
NOC11H15 |
ABC11D15 |
-20.62 |
6.24 |
-8.45 |
-0.27 |
0 |
|
|
6134 |
67115 |
1 |
ON2C10H14 |
AB2C10D14 |
28.95 |
7.89 |
-8.38 |
-0.68 |
0 |
|
|
6135 |
67116 |
1 |
O3C10H12 |
A3B10C12 |
-85.84 |
6.72 |
-8.62 |
-0.59 |
0 |
|
|
6136 |
67117 |
2 |
OC5H6 |
AB5C6 |
-78.66 |
1.92 |
-9.62 |
-0.5 |
0 |
|
|
6137 |
67121 |
1 |
NO4C11H13 |
AB4C11D13 |
-81.37 |
4.79 |
-10.86 |
-1.91 |
0 |
|
|
6138 |
67122 |
2 |
NO2H7C10 |
AB2C7D10 |
24.59 |
1.11 |
-9.44 |
-1.51 |
0 |
|
|
6139 |
67149 |
1 |
NO3C8H9 |
AB3C8D9 |
-104.62 |
6.34 |
-8.94 |
-0.42 |
0 |
|
|
6140 |
67150 |
2 |
OC5H7 |
AB5C7 |
-68.66 |
0.26 |
-8.13 |
0.17 |
0 |
|
|
6141 |
67162 |
2 |
NC3H8 |
AB3C8 |
-8.55 |
0.23 |
-8.71 |
2.63 |
0 |
|
|
6142 |
67175 |
1 |
BrO2C5H11 |
AB2C5D11 |
-102.43 |
1.71 |
-10.3 |
-0.22 |
0 |
|
|
6143 |
67178 |
1 |
AsC2H5O5 |
AB2C5D5 |
-195.15 |
3.86 |
-10.93 |
-1.04 |
0 |
|
|
6144 |
67190 |
2 |
NO2H9C18 |
AB2C9D18 |
-10.8 |
0.09 |
-9.39 |
-2.8 |
0 |
|
|
6145 |
67195 |
2 |
NOH9C11 |
ABC9D11 |
0.33 |
3.14 |
-7.79 |
-1.47 |
0 |
|
|
6146 |
67196 |
2 |
NSH5O5C7 |
ABC5D5E7 |
-355.87 |
0.22 |
-9.02 |
-2.79 |
0 |
|
|
6147 |
67208 |
2 |
NO2H7C9 |
AB2C7D9 |
-121.15 |
0.16 |
-9.23 |
-1.86 |
0 |
|
|
6148 |
67217 |
1 |
NS2O6H9C10 |
AB2C6D9E10 |
-204.26 |
3.47 |
-9.69 |
-1.86 |
0 |
|
|
6149 |
67220 |
2 |
NaSH3O4C5 |
ABC3D4E5 |
-382.27 |
20.83 |
-8.67 |
-1.08 |
0 |
|
|
6150 |
67223 |
1 |
NaSO3H7C10 |
ABC3D7E10 |
-120.56 |
6.39 |
-8.87 |
-0.48 |
0 |
|
|
6151 |
67233 |
1 |
PO4H27C36 |
AB4C27D36 |
-74.93 |
1.94 |
-8.89 |
-0.22 |
0 |
|
|
6152 |
67235 |
1 |
ON2H16C18 |
AB2C16D18 |
57.12 |
5.88 |
-8.19 |
-1.35 |
0 |
|
|
6153 |
67258 |
2 |
OH6C7 |
AB6C7 |
-38.4 |
2.9 |
-9.42 |
-0.58 |
0 |
|
|
6154 |
67259 |
1 |
ClON3C10H14 |
ABC3D10E14 |
19.2 |
4.95 |
-8.43 |
-0.72 |
0 |
|
|
6155 |
67260 |
1 |
ON3C10H14 |
AB3C10D14 |
25.49 |
6.37 |
0.0 |
0.0 |
1 |
|
|
6156 |
67261 |
1 |
N3O3C7H15 |
A3B3C7D15 |
-138.36 |
2.06 |
-9.76 |
0.59 |
0 |
|
|
6157 |
67279 |
2 |
NNaO2H8C13 |
ABC2D8E13 |
-56.95 |
95.78 |
-6.32 |
-2.05 |
0 |
|
|
6158 |
67309 |
1 |
ClNC9H14 |
ABC9D14 |
19.96 |
15.36 |
-7.85 |
-1.3 |
0 |
|
|
6159 |
67313 |
1 |
ClSN2O2C7H11 |
ABC2D2E7F11 |
-93.79 |
5.53 |
-9.98 |
-0.78 |
0 |
|
|
6160 |
67316 |
1 |
SN3O5H11C13 |
AB3C5D11E13 |
-106.35 |
7.46 |
-9.83 |
-1.88 |
0 |
|
|
6161 |
67326 |
1 |
FNC7H8 |
ABC7D8 |
-24.66 |
2.55 |
-9.6 |
-0.06 |
0 |
|
|
6162 |
67329 |
2 |
O3C11H21 |
A3B11C21 |
-336.65 |
2.04 |
-9.8 |
0.55 |
0 |
|
|
6163 |
67336 |
1 |
NCl2C6H7 |
AB2C6D7 |
-18.34 |
4.01 |
-9.16 |
-0.26 |
0 |
|
|
6164 |
67337 |
1 |
O7C44H86 |
A7B44C86 |
-473.04 |
0.66 |
-9.86 |
0.67 |
0 |
|
|
6165 |
67340 |
1 |
ClOC6H11 |
ABC6D11 |
-77.55 |
3.86 |
-11.1 |
-0.23 |
0 |
|
|
6166 |
67342 |
1 |
ClNC6H16 |
ABC6D16 |
-60.95 |
0.54 |
-9.36 |
2.07 |
0 |
|
|
6167 |
67344 |
1 |
NNaSO5C14H28 |
ABCD5E14F28 |
-311.49 |
11.67 |
-9.55 |
0.0 |
0 |
|
|
6168 |
67345 |
1 |
NSO5C14H29 |
ABC5D14E29 |
-265.41 |
3.59 |
-10.2 |
-1.05 |
0 |
|
|
6169 |
67346 |
1 |
ClNC8H20 |
ABC8D20 |
-73.46 |
2.63 |
-9.38 |
1.98 |
0 |
|
|
6170 |
67347 |
1 |
CHgIH3 |
ABCD3 |
17.46 |
1.54 |
-10.16 |
-1.25 |
0 |
|
|
6171 |
67349 |
1 |
ClSiC13H13 |
ABC13D13 |
-13.39 |
1.87 |
-9.47 |
-0.27 |
0 |
|
|
6172 |
67350 |
1 |
N2O4C13H18 |
A2B4C13D18 |
-27.38 |
4.46 |
-10.12 |
-1.14 |
0 |
|
|
6173 |
67351 |
2 |
NO2H5C7 |
AB2C5D7 |
-107.24 |
2.95 |
-8.14 |
-1.6 |
0 |