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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
363089 |
127310120 |
2 |
ON2C10H12 |
AB2C10D12 |
-23.06 |
5.57 |
-8.62 |
-0.36 |
0 |
|
|
363090 |
127310121 |
1 |
O3N7C17H21 |
A3B7C17D21 |
-18.2 |
6.76 |
-9.15 |
-0.83 |
0 |
|
|
363091 |
127310122 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-50.6 |
3.5 |
-9.08 |
-0.85 |
0 |
|
|
363092 |
127310123 |
1 |
SO2N6C16H24 |
AB2C6D16E24 |
-12.55 |
1.5 |
-9.07 |
-0.6 |
0 |
|
|
363093 |
127310124 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-27.53 |
6.99 |
-9.01 |
0.24 |
0 |
|
|
363094 |
127310125 |
1 |
BrO2N5C16H22 |
AB2C5D16E22 |
-16.51 |
8.61 |
-8.99 |
-0.36 |
0 |
|
|
363095 |
127310126 |
1 |
SO2N7C14H21 |
AB2C7D14E21 |
24.29 |
2.06 |
-9.11 |
-0.79 |
0 |
|
|
363096 |
127310127 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-123.37 |
5.19 |
-8.96 |
0.44 |
0 |
|
|
363097 |
127310128 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-18.14 |
5.72 |
-9.26 |
-1.22 |
0 |
|
|
363098 |
127310129 |
4 |
NOC5H7 |
ABC5D7 |
-148.32 |
8.14 |
-9.03 |
-0.13 |
0 |
|
|
363099 |
127310130 |
1 |
O3N4C19H20 |
A3B4C19D20 |
-50.31 |
6.62 |
-9.16 |
-1.03 |
0 |
|
|
363100 |
127310131 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-79.44 |
6.48 |
-9.22 |
0.07 |
0 |
|
|
363101 |
127310132 |
2 |
ON2C10H12 |
AB2C10D12 |
-23.42 |
8.88 |
-8.59 |
-0.27 |
0 |
|
|
363102 |
127310133 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-7.95 |
3.78 |
-9.14 |
-1.31 |
0 |
|
|
363103 |
127310134 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-115.8 |
3.86 |
-9.14 |
0.4 |
0 |
|
|
363104 |
127310135 |
2 |
ClON2C9H9 |
ABC2D9E9 |
-19.15 |
4.8 |
-9.1 |
-1.03 |
0 |
|
|
363105 |
127310136 |
1 |
N3O4C17H27 |
A3B4C17D27 |
-142.2 |
4.34 |
-9.1 |
0.5 |
0 |
|
|
363106 |
127310137 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-116.05 |
4.92 |
-8.99 |
0.32 |
0 |
|
|
363107 |
127310138 |
1 |
O3N6C18H22 |
A3B6C18D22 |
-32.64 |
7.59 |
-8.97 |
-1.18 |
0 |
|
|
363108 |
127310141 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-28.88 |
4.95 |
-9.09 |
-1.24 |
0 |
|
|
363109 |
127310142 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-69.27 |
3.98 |
-8.88 |
-0.11 |
0 |
|
|
363110 |
127310143 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-78.87 |
6.38 |
-9.14 |
0.18 |
0 |
|
|
363111 |
127310144 |
1 |
O2N7C16H19 |
A2B7C16D19 |
44.42 |
4.03 |
-9.1 |
-1.34 |
0 |
|
|
363112 |
127310145 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-62.58 |
3.89 |
-9.1 |
-0.14 |
0 |
|
|
363113 |
127310146 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-55.8 |
5.81 |
-9.04 |
-0.32 |
0 |
|
|
363114 |
127310147 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-31.49 |
9.28 |
-8.92 |
0.27 |
0 |
|
|
363115 |
127310148 |
1 |
ClFO2N4C18H18 |
ABC2D4E18F18 |
-56.77 |
4.98 |
-9.1 |
-1.02 |
0 |
|
|
363116 |
127310149 |
1 |
SO4N6C16H24 |
AB4C6D16E24 |
-97.93 |
11.03 |
-9.0 |
0.02 |
0 |
|
|
363117 |
127310150 |
1 |
FO2N4C20H25 |
AB2C4D20E25 |
-69.5 |
7.99 |
-8.49 |
-0.34 |
0 |
|
|
363118 |
127310151 |
2 |
ON2C10H12 |
AB2C10D12 |
-10.78 |
1.44 |
-8.65 |
-0.39 |
0 |
|
|
363119 |
127310152 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-30.24 |
6.63 |
-9.01 |
-0.72 |
0 |
|
|
363120 |
127310153 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-85.74 |
7.74 |
-8.72 |
0.23 |
0 |
|
|
363121 |
127310154 |
2 |
ON2C11H13 |
AB2C11D13 |
-11.31 |
5.01 |
-9.15 |
-1.01 |
0 |
|
|
363122 |
127310155 |
1 |
BrO3N4C16H19 |
AB3C4D16E19 |
-63.18 |
3.45 |
-9.1 |
-1.01 |
0 |
|
|
363123 |
127310156 |
1 |
N4O4C17H26 |
A4B4C17D26 |
-137.85 |
4.98 |
-9.19 |
0.18 |
0 |
|
|
363124 |
127310157 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-28.36 |
1.84 |
-9.14 |
-0.2 |
0 |
|
|
363125 |
127310158 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-75.43 |
5.18 |
-9.04 |
0.44 |
0 |
|
|
363126 |
127310159 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-41.47 |
9.19 |
-8.89 |
0.14 |
0 |
|
|
363127 |
127310160 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-76.87 |
4.81 |
-9.06 |
0.56 |
0 |
|
|
363128 |
127310161 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-151.86 |
5.2 |
-8.96 |
-0.02 |
0 |
|
|
363129 |
127310162 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-56.66 |
6.06 |
-8.69 |
-0.33 |
0 |
|
|
363130 |
127310163 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-156.08 |
2.6 |
-9.21 |
0.07 |
0 |
|
|
363131 |
127310164 |
1 |
SO2N5C17H23 |
AB2C5D17E23 |
-8.24 |
7.38 |
-8.98 |
-0.48 |
0 |
|
|
363132 |
127310165 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-84.53 |
4.74 |
-8.87 |
0.05 |
0 |
|
|
363133 |
127310166 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-62.46 |
6.21 |
-8.96 |
-0.38 |
0 |
|
|
363134 |
127310167 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-60.59 |
5.86 |
-8.9 |
-0.7 |
0 |
|
|
363135 |
127310168 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-59.24 |
1.33 |
-8.9 |
0.65 |
0 |
|
|
363136 |
127310169 |
1 |
O2N5C18H19 |
A2B5C18D19 |
21.98 |
5.9 |
-9.09 |
-1.46 |
0 |
|
|
363137 |
127310170 |
2 |
O2N3C9H10 |
A2B3C9D10 |
-95.04 |
3.82 |
-9.12 |
-1.58 |
0 |
|
|
363138 |
127310171 |
1 |
O2N4C19H20 |
A2B4C19D20 |
9.39 |
6.58 |
-9.06 |
-1.16 |
0 |
|
|
363139 |
127310172 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-4.88 |
8.74 |
-8.77 |
-0.34 |
0 |
|
|
363140 |
127310173 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-52.73 |
4.76 |
-9.08 |
-1.04 |
0 |
|
|
363141 |
127310174 |
1 |
SN4O4C17H28 |
AB4C4D17E28 |
-146.78 |
4.35 |
-9.03 |
-0.01 |
0 |
|
|
363142 |
127310175 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-32.22 |
9.05 |
-8.98 |
-1.65 |
0 |
|
|
363143 |
127310176 |
2 |
ON3C10H12 |
AB3C10D12 |
19.48 |
2.18 |
-9.14 |
-1.05 |
0 |
|
|
363144 |
127310177 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-148.06 |
1.19 |
-9.1 |
0.52 |
0 |
|
|
363145 |
127310178 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-82.24 |
6.03 |
-9.06 |
-0.73 |
0 |
|
|
363146 |
127310179 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-2.07 |
3.62 |
-9.04 |
-0.83 |
0 |
|
|
363147 |
127310180 |
2 |
ON3C10H13 |
AB3C10D13 |
12.15 |
5.52 |
-9.06 |
-0.87 |
0 |
|
|
363148 |
127310181 |
3 |
NOC7H9 |
ABC7D9 |
-57.72 |
2.19 |
-8.68 |
0.12 |
0 |
|
|
363149 |
127310182 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-108.37 |
4.14 |
-9.15 |
0.48 |
0 |
|
|
363150 |
127310183 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-76.03 |
7.8 |
-9.05 |
-0.43 |
0 |
|
|
363151 |
127310184 |
1 |
O2N5C21H29 |
A2B5C21D29 |
-31.75 |
2.41 |
-8.73 |
-0.31 |
0 |
|
|
363152 |
127310185 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-57.14 |
7.69 |
-9.0 |
-0.52 |
0 |
|
|
363153 |
127310186 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-76.0 |
4.9 |
-9.24 |
0.18 |
0 |
|
|
363154 |
127310187 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-118.36 |
11.06 |
-8.88 |
-1.2 |
0 |
|
|
363155 |
127310188 |
1 |
ClN3O3C18H18 |
AB3C3D18E18 |
-40.51 |
5.1 |
-9.11 |
-1.25 |
0 |
|
|
363156 |
127310189 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-102.27 |
3.57 |
-9.1 |
0.45 |
0 |
|
|
363157 |
127310190 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-12.43 |
5.8 |
-8.93 |
-1.03 |
0 |
|
|
363158 |
127310191 |
1 |
O3N5C15H19 |
A3B5C15D19 |
-54.37 |
1.42 |
-9.2 |
-1.02 |
0 |
|
|
363159 |
127310192 |
1 |
ClO2N4C19H21 |
AB2C4D19E21 |
-10.81 |
4.49 |
-8.7 |
-0.66 |
0 |
|
|
363160 |
127310193 |
2 |
ClON2C9H9 |
ABC2D9E9 |
-18.23 |
2.43 |
-9.11 |
-1.15 |
0 |
|
|
363161 |
127310194 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-113.69 |
2.59 |
-9.0 |
0.57 |
0 |
|
|
363162 |
127310195 |
3 |
NOC6H7 |
ABC6D7 |
-58.43 |
4.85 |
-9.08 |
-0.62 |
0 |
|
|
363163 |
127310196 |
1 |
N3O4C18H29 |
A3B4C18D29 |
-148.13 |
5.58 |
-9.15 |
0.5 |
0 |
|
|
363164 |
127310197 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-10.61 |
8.75 |
-8.95 |
0.24 |
0 |
|
|
363165 |
127310198 |
1 |
SN4O4C17H28 |
AB4C4D17E28 |
-151.27 |
5.69 |
-8.98 |
0.12 |
0 |
|
|
363166 |
127310201 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-105.57 |
4.18 |
-9.03 |
0.36 |
0 |
|
|
363167 |
127310202 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-94.65 |
5.05 |
-9.1 |
-0.88 |
0 |
|
|
363168 |
127310203 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-64.14 |
4.89 |
-8.74 |
-0.1 |
0 |
|
|
363169 |
127310204 |
2 |
SN2O2C8H11 |
AB2C2D8E11 |
-93.08 |
7.66 |
-9.12 |
-1.18 |
0 |
|
|
363170 |
127310205 |
1 |
O2N5C17H19 |
A2B5C17D19 |
15.84 |
4.98 |
-9.08 |
-0.97 |
0 |
|
|
363171 |
127310206 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-98.99 |
6.17 |
-9.06 |
0.43 |
0 |
|
|
363172 |
127310211 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-49.43 |
5.84 |
-8.96 |
0.13 |
0 |
|
|
363173 |
127310212 |
2 |
ON2C10H12 |
AB2C10D12 |
-22.93 |
1.18 |
-8.44 |
-0.02 |
0 |
|
|
363174 |
127310213 |
1 |
OSN2C11H22 |
ABC2D11E22 |
-65.15 |
2.13 |
-8.7 |
0.56 |
0 |
|
|
363175 |
127310214 |
1 |
ClO2N5C18H22 |
AB2C5D18E22 |
-28.33 |
8.08 |
-8.78 |
-0.43 |
0 |
|
|
363176 |
127310215 |
1 |
ON7C14H17 |
AB7C14D17 |
73.61 |
5.29 |
-9.08 |
-1.07 |
0 |
|
|
363177 |
127310216 |
1 |
N7C17H21 |
A7B17C21 |
105.86 |
7.93 |
-8.61 |
-0.62 |
0 |
|
|
363178 |
127310217 |
1 |
N5C18H25 |
A5B18C25 |
51.66 |
5.8 |
-8.92 |
-0.72 |
0 |
|
|
363179 |
127310218 |
1 |
ClOSN3C9H12 |
ABCD3E9F12 |
-7.67 |
4.77 |
-8.94 |
-1.0 |
0 |
|
|
363180 |
127310248 |
1 |
O3N7C16H19 |
A3B7C16D19 |
14.88 |
10.06 |
-9.09 |
-1.17 |
0 |
|
|
363181 |
127310249 |
1 |
ON6C14H20 |
AB6C14D20 |
39.53 |
7.53 |
-8.71 |
-1.16 |
0 |
|
|
363182 |
127310250 |
1 |
SO2N4C18H28 |
AB2C4D18E28 |
-64.11 |
3.64 |
-8.61 |
-0.67 |
0 |
|
|
363183 |
127310251 |
1 |
OF2N4C19H20 |
AB2C4D19E20 |
-65.59 |
3.86 |
-8.94 |
-1.4 |
0 |
|
|
363184 |
127310252 |
1 |
ON5C17H27 |
AB5C17D27 |
-22.45 |
5.24 |
-8.72 |
0.1 |
0 |
|
|
363185 |
127310253 |
1 |
ON5C18H29 |
AB5C18D29 |
-27.7 |
4.11 |
-8.69 |
0.1 |
0 |
|
|
363186 |
127310254 |
2 |
ON3C6H8 |
AB3C6D8 |
13.17 |
5.7 |
-9.3 |
-1.24 |
0 |
|
|
363187 |
127310255 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-94.19 |
3.36 |
-9.07 |
-0.52 |
0 |
|
|
363188 |
127310256 |
1 |
O3N6C18H28 |
A3B6C18D28 |
-102.52 |
5.25 |
-8.87 |
-0.45 |
0 |