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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
430168 |
135170231 |
1 |
SF2N2O2C15H16 |
AB2C2D2E15F16 |
-108.44 |
4.12 |
-9.32 |
-1.14 |
0 |
|
|
430169 |
135170232 |
1 |
FNSH16C22 |
ABCD16E22 |
41.88 |
3.75 |
-8.1 |
-0.44 |
0 |
|
|
430170 |
135170233 |
1 |
ClSN2O2F3C16H16 |
ABC2D2E3F16G16 |
-182.18 |
4.94 |
-9.37 |
-1.24 |
0 |
|
|
430171 |
135170234 |
2 |
NC10H14 |
AB10C14 |
3.51 |
1.28 |
-8.6 |
-0.28 |
0 |
|
|
430172 |
135170235 |
1 |
N3C22H31 |
A3B22C31 |
6.87 |
3.01 |
-8.25 |
-0.2 |
0 |
|
|
430173 |
135170236 |
1 |
FSN2O2C15H19 |
ABC2D2E15F19 |
-87.58 |
5.43 |
-9.29 |
-0.92 |
0 |
|
|
430174 |
135170237 |
1 |
O5H12C18 |
A5B12C18 |
-112.88 |
6.95 |
-9.19 |
-1.69 |
0 |
|
|
430175 |
135170238 |
1 |
SN2O2H16C24 |
AB2C2D16E24 |
70.91 |
4.24 |
-8.37 |
-1.32 |
0 |
|
|
430176 |
135170239 |
1 |
NSO4H19C24 |
ABC4D19E24 |
-73.17 |
2.88 |
-8.37 |
-1.22 |
0 |
|
|
430177 |
135170240 |
1 |
NSO4H21C25 |
ABC4D21E25 |
-45.34 |
6.33 |
-8.49 |
-1.8 |
0 |
|
|
430178 |
135170241 |
1 |
NSO2H19C22 |
ABC2D19E22 |
5.78 |
6.04 |
-8.33 |
-1.22 |
0 |
|
|
430179 |
135170242 |
1 |
S2O3F5N5H18C19 |
A2B3C5D5E18F19 |
-194.54 |
7.36 |
-9.8 |
-1.44 |
0 |
|
|
430180 |
135170243 |
1 |
FO2N3C21H36 |
AB2C3D21E36 |
-163.71 |
4.3 |
-8.47 |
0.98 |
0 |
|
|
430181 |
135170244 |
1 |
SN5O5C18H19 |
AB5C5D18E19 |
-9.57 |
8.03 |
-9.44 |
-0.92 |
0 |
|
|
430182 |
135170245 |
2 |
NC10H13 |
AB10C13 |
10.52 |
1.05 |
-8.69 |
-0.29 |
0 |
|
|
430183 |
135170246 |
1 |
SO3N4H24C30 |
AB3C4D24E30 |
101.58 |
6.9 |
-8.56 |
-1.5 |
0 |
|
|
430184 |
135170247 |
1 |
N2O4C15H24 |
A2B4C15D24 |
-216.42 |
3.88 |
-9.48 |
-0.19 |
0 |
|
|
430185 |
135170248 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-31.58 |
2.45 |
-7.95 |
-0.1 |
0 |
|
|
430186 |
135170249 |
2 |
N2C6H11 |
A2B6C11 |
19.38 |
5.55 |
-8.4 |
0.82 |
0 |
|
|
430187 |
135170250 |
1 |
N2C13H22 |
A2B13C22 |
-3.69 |
2.37 |
-7.78 |
0.9 |
0 |
|
|
430188 |
135170251 |
1 |
ClN2C19H23 |
AB2C19D23 |
13.79 |
5.76 |
-8.87 |
-0.6 |
0 |
|
|
430189 |
135170252 |
1 |
ON2C22H30 |
AB2C22D30 |
-35.26 |
1.43 |
-8.41 |
-0.43 |
0 |
|
|
430190 |
135170253 |
1 |
SN3O4H19C21 |
AB3C4D19E21 |
-51.48 |
9.2 |
-9.49 |
-1.12 |
0 |
|
|
430191 |
135170254 |
4 |
NC6H9 |
AB6C9 |
-6.26 |
2.99 |
-7.97 |
0.04 |
0 |
|
|
430192 |
135170255 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-37.05 |
2.01 |
-8.1 |
-0.3 |
0 |
|
|
430193 |
135170256 |
1 |
F3O3N4C21H31 |
A3B3C4D21E31 |
-290.97 |
3.94 |
-9.15 |
0.45 |
0 |
|
|
430194 |
135170257 |
1 |
SN2O4C19H26 |
AB2C4D19E26 |
-159.12 |
4.87 |
-9.55 |
-0.53 |
0 |
|
|
430195 |
135170258 |
1 |
ON2C9H14 |
AB2C9D14 |
-11.69 |
3.93 |
-9.36 |
1.07 |
0 |
|
|
430196 |
135170259 |
1 |
F2O3N4C24H36 |
A2B3C4D24E36 |
-244.01 |
2.08 |
-9.04 |
0.64 |
0 |
|
|
430197 |
135170260 |
1 |
ON4C24H34 |
AB4C24D34 |
21.72 |
1.98 |
-8.24 |
-0.31 |
0 |
|
|
430198 |
135170261 |
1 |
F3O3N4C22H33 |
A3B3C4D22E33 |
-296.2 |
4.46 |
-9.0 |
0.55 |
0 |
|
|
430199 |
135170262 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-57.95 |
2.59 |
-7.6 |
0.55 |
0 |
|
|
430200 |
135170263 |
1 |
N3C23H33 |
A3B23C33 |
-0.35 |
1.42 |
-8.2 |
-0.21 |
0 |
|
|
430201 |
135170264 |
1 |
ClSO3N5C21H24 |
ABC3D5E21F24 |
52.19 |
8.9 |
-9.4 |
-0.91 |
0 |
|
|
430202 |
135170265 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-12.76 |
2.46 |
-7.93 |
0.17 |
0 |
|
|
430204 |
135170267 |
1 |
FON3C24H36 |
ABC3D24E36 |
-83.85 |
2.75 |
-8.28 |
0.2 |
0 |
|
|
430205 |
135170268 |
1 |
O2N5C12H21 |
A2B5C12D21 |
-47.31 |
6.24 |
-9.89 |
-0.45 |
0 |
|
|
430206 |
135170269 |
1 |
BrO4H13C16 |
AB4C13D16 |
-85.47 |
1.84 |
-9.18 |
-0.47 |
0 |
|
|
430208 |
135170271 |
1 |
O5C21H22 |
A5B21C22 |
-132.23 |
2.04 |
-8.7 |
-0.18 |
0 |
|
|
430209 |
135170273 |
1 |
O4H16C21 |
A4B16C21 |
114.08 |
0.37 |
-8.84 |
-2.22 |
0 |
|
|
430211 |
135170275 |
1 |
BrO5H17C18 |
AB5C17D18 |
-130.21 |
2.54 |
-9.27 |
-0.57 |
0 |
|
|
430212 |
135170276 |
1 |
BrNO5C17H18 |
ABC5D17E18 |
-130.64 |
2.37 |
-9.26 |
-0.5 |
0 |
|
|
430213 |
135170277 |
1 |
ClN2O2C21H27 |
AB2C2D21E27 |
-61.55 |
4.72 |
-8.46 |
-0.61 |
0 |
|
|
430214 |
135170278 |
2 |
O2C9H10 |
A2B9C10 |
-130.89 |
1.93 |
-9.54 |
-0.18 |
0 |
|
|
430215 |
135170279 |
1 |
ON2C10H14 |
AB2C10D14 |
-30.88 |
5.65 |
-8.79 |
0.18 |
0 |
|
|
430216 |
135170280 |
1 |
NH25C28 |
AB25C28 |
98.17 |
1.42 |
-7.9 |
-0.09 |
0 |
|
|
430217 |
135170281 |
1 |
NH25C28 |
AB25C28 |
98.66 |
1.11 |
-7.84 |
-0.26 |
0 |
|
|
430218 |
135170282 |
1 |
SN2H18C23 |
AB2C18D23 |
108.5 |
3.55 |
-8.01 |
-0.79 |
0 |
|
|
430219 |
135170283 |
1 |
NSH23C25 |
ABC23D25 |
93.85 |
1.37 |
-8.75 |
-0.39 |
0 |
|
|
430220 |
135170284 |
1 |
NO2C14H15 |
AB2C14D15 |
-45.61 |
1.64 |
-9.07 |
-0.35 |
0 |
|
|
430221 |
135170285 |
1 |
NBr2C45H57 |
AB2C45D57 |
1.77 |
3.81 |
-8.24 |
-0.41 |
0 |
|
|
430222 |
135170286 |
1 |
NSH21C25 |
ABC21D25 |
91.2 |
2.91 |
-7.91 |
-0.77 |
0 |
|
|
430223 |
135170287 |
1 |
FNSO3H14C22 |
ABCD3E14F22 |
-56.03 |
8.76 |
-9.13 |
-1.57 |
0 |
|
|
430224 |
135170288 |
1 |
FNSH22C24 |
ABCD22E24 |
47.99 |
3.58 |
-8.13 |
-0.16 |
0 |
|
|
430225 |
135170289 |
1 |
NH45C55 |
AB45C55 |
207.57 |
1.43 |
-7.93 |
-0.19 |
0 |
|
|
430226 |
135170290 |
1 |
NH37C41 |
AB37C41 |
157.11 |
1.08 |
-7.84 |
-0.43 |
0 |
|
|
430227 |
135170291 |
1 |
O4C21H22 |
A4B21C22 |
-90.3 |
3.23 |
-8.79 |
-0.27 |
0 |
|
|
430228 |
135170292 |
1 |
NOH21C26 |
ABC21D26 |
60.11 |
2.97 |
-8.03 |
-0.44 |
0 |
|
|
430229 |
135170293 |
1 |
NH43C46 |
AB43C46 |
109.36 |
0.97 |
-7.99 |
-0.34 |
0 |
|
|
430230 |
135170294 |
1 |
NC54H59 |
AB54C59 |
60.86 |
0.99 |
-7.88 |
-0.15 |
0 |
|
|
430231 |
135170295 |
1 |
NC45H61 |
AB45C61 |
97.2 |
1.17 |
-7.69 |
-0.06 |
0 |
|
|
430232 |
135170296 |
1 |
NC33H35 |
AB33C35 |
66.49 |
1.29 |
-8.11 |
-0.36 |
0 |
|
|
430233 |
135170297 |
1 |
NO2H29C40 |
AB2C29D40 |
99.43 |
4.7 |
-8.27 |
-0.84 |
0 |
|
|
430234 |
135170298 |
1 |
BrO4H15C16 |
AB4C15D16 |
-100.88 |
2.23 |
-9.28 |
-0.54 |
0 |
|
|
430235 |
135170299 |
2 |
NC7H14 |
AB7C14 |
-22.68 |
2.84 |
-8.34 |
2.96 |
0 |
|
|
430236 |
135170300 |
1 |
N2C11H18 |
A2B11C18 |
30.35 |
3.25 |
-8.58 |
1.61 |
0 |
|
|
430237 |
135170301 |
1 |
BrO4H13C16 |
AB4C13D16 |
-42.38 |
1.08 |
-9.29 |
-0.59 |
0 |
|
|
430238 |
135170302 |
1 |
N2O2S2F5C12H13 |
A2B2C2D5E12F13 |
-233.59 |
5.98 |
-9.71 |
-1.51 |
0 |
|
|
430239 |
135170303 |
1 |
NO2H23C27 |
AB2C23D27 |
22.58 |
2.18 |
-8.11 |
-0.23 |
0 |
|
|
430240 |
135170304 |
1 |
NO2H29C35 |
AB2C29D35 |
49.41 |
1.47 |
-7.87 |
-0.66 |
0 |
|
|
430241 |
135170305 |
1 |
ClO2H13C15 |
AB2C13D15 |
-45.1 |
1.83 |
-9.26 |
-0.41 |
0 |
|
|
430242 |
135170306 |
1 |
NOH19C25 |
ABC19D25 |
78.16 |
3.72 |
-8.21 |
-0.63 |
0 |
|
|
430243 |
135170307 |
1 |
NOBr2H17C25 |
ABC2D17E25 |
81.81 |
3.98 |
-8.52 |
-0.89 |
0 |
|
|
430244 |
135170308 |
1 |
O5C18H18 |
A5B18C18 |
-132.3 |
1.03 |
-8.99 |
-0.13 |
0 |
|
|
430245 |
135170309 |
1 |
BrO5H17C18 |
AB5C17D18 |
-129.39 |
3.42 |
-9.12 |
-0.43 |
0 |
|
|
430246 |
135170310 |
1 |
N3C23H35 |
A3B23C35 |
4.67 |
2.51 |
-7.83 |
0.52 |
0 |
|
|
430247 |
135170311 |
1 |
ON3C27H39 |
AB3C27D39 |
-49.12 |
2.7 |
-8.19 |
-0.16 |
0 |
|
|
430248 |
135170312 |
1 |
N3C24H35 |
A3B24C35 |
-10.59 |
3.84 |
-8.11 |
-0.11 |
0 |
|
|
430250 |
135170314 |
1 |
O2S2N5C18H23 |
A2B2C5D18E23 |
19.4 |
7.91 |
-8.26 |
-0.7 |
0 |
|
|
430251 |
135170315 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-64.19 |
1.26 |
-7.98 |
-0.14 |
0 |
|
|
430252 |
135170316 |
1 |
NSO2C12H19 |
ABC2D12E19 |
-67.39 |
3.83 |
-9.11 |
-0.46 |
0 |
|
|
430253 |
135170317 |
1 |
N3C25H35 |
A3B25C35 |
14.78 |
3.22 |
-8.22 |
-0.16 |
0 |
|
|
430254 |
135170318 |
1 |
SF2N2O2C15H18 |
AB2C2D2E15F18 |
-136.45 |
4.03 |
-9.07 |
-1.06 |
0 |
|
|
430256 |
135170320 |
2 |
NC12H18 |
AB12C18 |
4.31 |
1.28 |
-8.43 |
0.19 |
0 |
|
|
430258 |
135170322 |
1 |
ON4C23H32 |
AB4C23D32 |
4.23 |
2.76 |
-8.3 |
-0.33 |
0 |
|
|
430259 |
135170323 |
2 |
NC12H18 |
AB12C18 |
-6.52 |
4.39 |
-8.33 |
0.22 |
0 |
|
|
430263 |
135170327 |
1 |
NCl2H39C55 |
AB2C39D55 |
169.87 |
2.77 |
-8.14 |
-0.73 |
0 |
|
|
430264 |
135170328 |
1 |
ClSO2N5C15H16 |
ABC2D5E15F16 |
20.96 |
5.75 |
-8.76 |
-0.57 |
0 |
|
|
430265 |
135170329 |
3 |
NC8H11 |
AB8C11 |
23.98 |
2.89 |
-8.19 |
-0.17 |
0 |
|
|
430266 |
135170330 |
1 |
N2C21H30 |
A2B21C30 |
0.93 |
1.72 |
-8.64 |
-0.29 |
0 |
|
|
430267 |
135170331 |
2 |
NC9H12 |
AB9C12 |
3.9 |
1.93 |
-8.05 |
-0.14 |
0 |
|
|
430268 |
135170332 |
1 |
ClN3C22H26 |
AB3C22D26 |
33.72 |
1.29 |
-8.72 |
-1.13 |
0 |
|
|
430269 |
135170333 |
1 |
N3C22H31 |
A3B22C31 |
-0.53 |
1.19 |
-8.03 |
-0.1 |
0 |
|
|
430270 |
135170334 |
1 |
O2N3C19H21 |
A2B3C19D21 |
0.53 |
1.33 |
-8.18 |
-0.55 |
0 |
|
|
430271 |
135170335 |
1 |
N3C27H35 |
A3B27C35 |
31.3 |
2.21 |
-8.07 |
-0.16 |
0 |
|
|
430272 |
135170336 |
2 |
NOC11H15 |
ABC11D15 |
-64.74 |
2.75 |
-8.17 |
-0.21 |
0 |
|
|
430273 |
135170337 |
1 |
S2O3N7C17H17 |
A2B3C7D17E17 |
112.16 |
6.44 |
-9.55 |
-2.04 |
0 |
|
|
430274 |
135170338 |
1 |
ON4H12C14 |
AB4C12D14 |
274.46 |
2.42 |
-9.25 |
-0.62 |
0 |
|
|
430275 |
135170339 |
2 |
O3C20H34 |
A3B20C34 |
-375.11 |
2.48 |
-8.36 |
0.41 |
0 |
|
|
430277 |
135170341 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-96.32 |
3.0 |
-8.07 |
-0.34 |
0 |