List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
355235 |
127288167 |
2 |
ON2C7H12 |
AB2C7D12 |
-61.43 |
6.01 |
-9.12 |
-0.35 |
0 |
|
|
355236 |
127288168 |
2 |
ON2C6H10 |
AB2C6D10 |
-47.98 |
2.97 |
-9.4 |
-0.28 |
0 |
|
|
355237 |
127288169 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-51.02 |
4.51 |
-9.36 |
-0.13 |
0 |
|
|
355238 |
127288170 |
1 |
O2N5C13H23 |
A2B5C13D23 |
-40.06 |
4.84 |
-8.77 |
-0.53 |
0 |
|
|
355239 |
127288171 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-52.41 |
5.87 |
-8.98 |
-0.44 |
0 |
|
|
355240 |
127288172 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-52.59 |
4.52 |
-9.24 |
-0.14 |
0 |
|
|
355241 |
127288173 |
2 |
ON2C7H12 |
AB2C7D12 |
-61.77 |
3.94 |
-9.3 |
-0.14 |
0 |
|
|
355242 |
127288174 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-108.43 |
1.52 |
-8.76 |
0.51 |
0 |
|
|
355243 |
127288175 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-104.87 |
4.81 |
-9.2 |
0.67 |
0 |
|
|
355244 |
127288176 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-114.22 |
4.74 |
-9.06 |
0.58 |
0 |
|
|
355245 |
127288177 |
1 |
SO3N4H14C17 |
AB3C4D14E17 |
-26.46 |
6.6 |
-8.85 |
-1.21 |
0 |
|
|
355246 |
127288178 |
1 |
O2N4H12C13 |
A2B4C12D13 |
9.93 |
4.72 |
-10.1 |
-1.01 |
0 |
|
|
355247 |
127288179 |
1 |
O2N5C14H15 |
A2B5C14D15 |
20.84 |
6.6 |
-9.67 |
-1.13 |
0 |
|
|
355248 |
127288180 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-99.64 |
1.08 |
-8.88 |
0.65 |
0 |
|
|
355249 |
127288181 |
1 |
ClN3O3C18H24 |
AB3C3D18E24 |
-105.08 |
3.31 |
-8.72 |
-0.33 |
0 |
|
|
355250 |
127288182 |
1 |
ClN3O3C18H26 |
AB3C3D18E26 |
-117.61 |
0.98 |
-8.57 |
-0.24 |
0 |
|
|
355251 |
127288183 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-113.27 |
3.79 |
-8.6 |
-0.31 |
0 |
|
|
355252 |
127288184 |
1 |
SN4O4C14H22 |
AB4C4D14E22 |
-124.5 |
7.88 |
-9.82 |
-0.42 |
0 |
|
|
355253 |
127288185 |
1 |
ON3C13H23 |
AB3C13D23 |
-39.74 |
4.06 |
-8.75 |
1.24 |
0 |
|
|
355254 |
127288186 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-97.07 |
2.67 |
-8.27 |
0.09 |
0 |
|
|
355255 |
127288187 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-91.86 |
3.1 |
-8.73 |
-0.18 |
0 |
|
|
355256 |
127288188 |
1 |
N2S2O3C15H16 |
A2B2C3D15E16 |
-73.35 |
4.98 |
-8.76 |
-0.86 |
0 |
|
|
355257 |
127288189 |
1 |
SO2N7C13H15 |
AB2C7D13E15 |
37.8 |
5.02 |
-9.15 |
-0.92 |
0 |
|
|
355258 |
127288190 |
1 |
SO3N5C10H13 |
AB3C5D10E13 |
-24.25 |
3.81 |
-9.5 |
-0.36 |
0 |
|
|
355259 |
127288191 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-93.08 |
8.35 |
-9.15 |
0.74 |
0 |
|
|
355260 |
127288192 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-159.49 |
7.45 |
-9.73 |
0.59 |
0 |
|
|
355261 |
127288193 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-96.58 |
8.82 |
-9.09 |
0.62 |
0 |
|
|
355262 |
127288194 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-140.32 |
1.86 |
-8.88 |
0.62 |
0 |
|
|
355263 |
127288195 |
1 |
SO2N4C13H16 |
AB2C4D13E16 |
-23.64 |
4.55 |
-9.52 |
-0.91 |
0 |
|
|
355264 |
127288196 |
1 |
O3N6C15H22 |
A3B6C15D22 |
-101.42 |
11.74 |
-9.75 |
-0.49 |
0 |
|
|
355265 |
127288197 |
1 |
ON8C15H20 |
AB8C15D20 |
65.93 |
7.38 |
-8.66 |
-0.21 |
0 |
|
|
355266 |
127288198 |
1 |
SO2N4C13H22 |
AB2C4D13E22 |
-65.24 |
4.16 |
-9.09 |
0.04 |
0 |
|
|
355267 |
127288199 |
1 |
ON3C13H25 |
AB3C13D25 |
-52.12 |
5.96 |
-8.82 |
1.21 |
0 |
|
|
355268 |
127288200 |
1 |
ON3C13H25 |
AB3C13D25 |
-54.34 |
3.97 |
-8.81 |
1.0 |
0 |
|
|
355269 |
127288201 |
1 |
S2N3O3C17H27 |
A2B3C3D17E27 |
-148.34 |
4.01 |
-8.8 |
0.0 |
0 |
|
|
355270 |
127288202 |
1 |
N3O4C19H31 |
A3B4C19D31 |
-205.94 |
5.07 |
-9.16 |
0.46 |
0 |
|
|
355271 |
127288203 |
1 |
S2O4N5C14H19 |
A2B4C5D14E19 |
-85.24 |
5.27 |
-9.58 |
-1.21 |
0 |
|
|
355272 |
127288204 |
1 |
S2O4N5C14H19 |
A2B4C5D14E19 |
-88.54 |
7.5 |
-9.52 |
-1.45 |
0 |
|
|
355273 |
127288205 |
1 |
ON4C17H28 |
AB4C17D28 |
-38.07 |
3.67 |
-8.42 |
0.49 |
0 |
|
|
355274 |
127288206 |
1 |
ON5C17H27 |
AB5C17D27 |
-40.99 |
5.06 |
-8.8 |
0.15 |
0 |
|
|
355275 |
127288207 |
1 |
ON5C16H25 |
AB5C16D25 |
-35.61 |
6.21 |
-8.86 |
0.11 |
0 |
|
|
355276 |
127288208 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-82.5 |
5.79 |
-8.92 |
0.06 |
0 |
|
|
355277 |
127288209 |
1 |
O2N6C17H24 |
A2B6C17D24 |
0.26 |
3.87 |
-8.78 |
-0.05 |
0 |
|
|
355278 |
127288210 |
1 |
ON6C18H26 |
AB6C18D26 |
43.86 |
2.15 |
-8.7 |
-0.08 |
0 |
|
|
355279 |
127288236 |
1 |
SN7C15H21 |
AB7C15D21 |
117.82 |
4.89 |
-8.65 |
-0.72 |
0 |
|
|
355280 |
127288237 |
1 |
F3N8H11C12 |
A3B8C11D12 |
-9.12 |
9.41 |
-10.14 |
-1.72 |
0 |
|
|
355281 |
127288238 |
1 |
O2N6C17H22 |
A2B6C17D22 |
-12.89 |
6.69 |
-9.08 |
-0.9 |
0 |
|
|
355282 |
127288239 |
1 |
SN6C15H20 |
AB6C15D20 |
102.04 |
5.86 |
-8.55 |
-0.67 |
0 |
|
|
355283 |
127288240 |
1 |
N6C17H22 |
A6B17C22 |
97.87 |
3.35 |
-8.68 |
-0.84 |
0 |
|
|
355284 |
127288241 |
1 |
N5C19H23 |
A5B19C23 |
81.23 |
4.22 |
-8.63 |
-0.54 |
0 |