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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75252 |
48423241 |
1 |
NO3C16H23 |
AB3C16D23 |
-99.0 |
3.61 |
-9.22 |
0.25 |
0 |
|
|
75253 |
48423242 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-95.36 |
0.47 |
-8.85 |
-0.11 |
0 |
|
|
75254 |
48423243 |
1 |
N2O4C19H32 |
A2B4C19D32 |
-182.87 |
3.95 |
-9.21 |
0.79 |
0 |
|
|
75255 |
48423244 |
1 |
NO3C19H27 |
AB3C19D27 |
-58.92 |
4.47 |
-8.77 |
0.45 |
0 |
|
|
75256 |
48423246 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-69.11 |
7.03 |
-9.8 |
-0.1 |
0 |
|
|
75257 |
48423248 |
1 |
N3O5C20H31 |
A3B5C20D31 |
-239.19 |
4.03 |
-9.42 |
0.27 |
0 |
|
|
75258 |
48423249 |
2 |
NO2C8H15 |
AB2C8D15 |
-202.37 |
4.11 |
-9.69 |
0.77 |
0 |
|
|
75259 |
48423250 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-102.9 |
4.54 |
-8.62 |
-0.08 |
0 |
|
|
75260 |
48423251 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-67.63 |
3.88 |
-8.62 |
0.24 |
0 |
|
|
75261 |
48423252 |
2 |
ON2C6H10 |
AB2C6D10 |
-33.03 |
4.4 |
-9.94 |
0.13 |
0 |
|
|
75262 |
48423253 |
1 |
O2N3C22H35 |
A2B3C22D35 |
-69.6 |
5.08 |
-7.84 |
0.81 |
0 |
|
|
75263 |
48423254 |
1 |
NO5C19H27 |
AB5C19D27 |
-175.33 |
3.56 |
-8.26 |
0.04 |
0 |
|
|
75264 |
48423255 |
1 |
N2O5C23H30 |
A2B5C23D30 |
-186.56 |
2.0 |
-8.36 |
0.1 |
0 |
|
|
75265 |
48423256 |
1 |
NO2C13H21 |
AB2C13D21 |
-46.87 |
3.0 |
-9.44 |
0.41 |
0 |
|
|
75266 |
48423257 |
1 |
NO4C19H27 |
AB4C19D27 |
-108.97 |
1.73 |
-8.78 |
-0.08 |
0 |
|
|
75267 |
48423258 |
1 |
NO2C17H29 |
AB2C17D29 |
-105.18 |
4.52 |
-9.2 |
0.93 |
0 |
|
|
75268 |
48423259 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-144.98 |
2.69 |
-9.63 |
0.06 |
0 |
|
|
75269 |
48423260 |
1 |
NO2C13H25 |
AB2C13D25 |
-111.23 |
3.17 |
-9.63 |
1.13 |
0 |
|
|
75270 |
48423261 |
2 |
NOC10H15 |
ABC10D15 |
-60.58 |
3.12 |
-8.82 |
0.4 |
0 |
|
|
75271 |
48423262 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-118.6 |
8.52 |
-9.36 |
-0.27 |
0 |
|
|
75272 |
48423263 |
1 |
SN2O2C17H26 |
AB2C2D17E26 |
-42.97 |
4.62 |
-8.91 |
-0.02 |
0 |
|
|
75273 |
48423265 |
3 |
NOC5H9 |
ABC5D9 |
-126.99 |
5.94 |
-8.94 |
0.58 |
0 |
|
|
75274 |
48423266 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-72.69 |
2.85 |
-8.68 |
0.28 |
0 |
|
|
75275 |
48423267 |
1 |
ClN2O2C19H27 |
AB2C2D19E27 |
-61.64 |
3.07 |
-8.88 |
-0.08 |
0 |
|
|
75276 |
48423268 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-136.77 |
5.28 |
-8.9 |
0.72 |
0 |
|
|
75277 |
48423270 |
1 |
ClN3O3C21H24 |
AB3C3D21E24 |
-88.55 |
2.06 |
-8.93 |
-0.18 |
0 |
|
|
75278 |
48423271 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-90.26 |
2.67 |
-8.88 |
0.26 |
0 |
|
|
75279 |
48423272 |
1 |
F2N2O5C20H22 |
A2B2C5D20E22 |
-275.63 |
3.97 |
-8.78 |
-0.22 |
0 |
|
|
75280 |
48423273 |
1 |
NF2O4C16H21 |
AB2C4D16E21 |
-240.09 |
4.96 |
-9.21 |
-0.43 |
0 |
|
|
75281 |
48423274 |
1 |
NO4C19H29 |
AB4C19D29 |
-154.79 |
5.67 |
-8.47 |
0.04 |
0 |
|
|
75282 |
48423275 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-117.27 |
3.38 |
-9.33 |
-0.24 |
0 |
|
|
75283 |
48423276 |
1 |
FN3O3C21H24 |
AB3C3D21E24 |
-126.95 |
3.13 |
-8.44 |
0.01 |
0 |
|
|
75284 |
48423277 |
1 |
FN2O2C17H23 |
AB2C2D17E23 |
-91.15 |
3.46 |
-9.09 |
-0.18 |
0 |
|
|
75285 |
48423278 |
1 |
ClN2O2C17H23 |
AB2C2D17E23 |
-52.68 |
2.0 |
-8.77 |
-0.13 |
0 |
|
|
75286 |
48423279 |
1 |
ClN2O2C17H23 |
AB2C2D17E23 |
-57.51 |
4.25 |
-8.56 |
0.01 |
0 |
|
|
75287 |
48423280 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-115.63 |
2.86 |
-8.76 |
-0.16 |
0 |
|
|
75288 |
48423282 |
1 |
ClN2O2C18H25 |
AB2C2D18E25 |
-55.85 |
3.02 |
-8.98 |
-0.22 |
0 |
|
|
75289 |
48423283 |
1 |
ClSN2O2C16H23 |
ABC2D2E16F23 |
-49.03 |
1.33 |
-8.98 |
-0.48 |
0 |
|
|
75290 |
48423286 |
1 |
NO4C19H29 |
AB4C19D29 |
-153.85 |
3.13 |
-7.92 |
0.18 |
0 |
|
|
75291 |
48423287 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-96.42 |
2.5 |
-8.78 |
0.05 |
0 |
|
|
75292 |
48423288 |
1 |
ClN2O3C19H27 |
AB2C3D19E27 |
-98.79 |
6.47 |
-8.61 |
0.17 |
0 |
|
|
75293 |
48423291 |
2 |
NOC8H15 |
ABC8D15 |
-105.46 |
3.88 |
-8.6 |
1.04 |
0 |
|
|
75294 |
48423295 |
1 |
N2O5C21H32 |
A2B5C21D32 |
-169.51 |
6.22 |
-8.59 |
-0.09 |
0 |
|
|
75295 |
48423296 |
2 |
NOC9H13 |
ABC9D13 |
-49.97 |
2.87 |
-8.62 |
0.26 |
0 |
|
|
75296 |
48423297 |
3 |
NOC7H11 |
ABC7D11 |
-95.73 |
2.96 |
-8.13 |
0.39 |
0 |
|
|
75297 |
48423298 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-91.24 |
3.48 |
-8.59 |
0.22 |
0 |
|
|
75298 |
48423299 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-103.5 |
3.5 |
-8.67 |
0.05 |
0 |
|
|
75299 |
48423300 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-65.8 |
4.62 |
-8.76 |
0.17 |
0 |
|
|
75300 |
48423301 |
1 |
N2O3C23H26 |
A2B3C23D26 |
-89.86 |
2.77 |
-9.16 |
0.14 |
0 |
|
|
75301 |
48423302 |
1 |
NO2C19H25 |
AB2C19D25 |
-51.84 |
5.23 |
-9.28 |
0.24 |
0 |
|
|
75302 |
48423303 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-90.2 |
4.38 |
-8.35 |
0.08 |
0 |
|
|
75303 |
48423305 |
1 |
N2O2F3C19H25 |
A2B2C3D19E25 |
-215.03 |
2.76 |
-9.0 |
-0.56 |
0 |
|
|
75304 |
48423306 |
1 |
N3O4C23H33 |
A3B4C23D33 |
-178.87 |
5.22 |
-9.25 |
0.3 |
0 |
|
|
75305 |
48423309 |
1 |
O2F3N4C15H17 |
A2B3C4D15E17 |
-161.55 |
2.08 |
-9.7 |
-1.43 |
0 |
|
|
75306 |
48423310 |
2 |
NOC9H13 |
ABC9D13 |
-55.49 |
2.25 |
-8.31 |
0.47 |
0 |
|
|
75307 |
48423311 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-89.81 |
0.79 |
-8.29 |
0.15 |
0 |
|
|
75308 |
48423312 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-138.0 |
7.6 |
-9.1 |
0.87 |
0 |
|
|
75309 |
48423313 |
2 |
N2O2C11H16 |
A2B2C11D16 |
-165.21 |
5.96 |
-8.89 |
0.07 |
0 |
|
|
75310 |
48423314 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-124.1 |
6.97 |
-8.7 |
0.62 |
0 |
|
|
75311 |
48423316 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-147.83 |
2.18 |
-8.73 |
-0.04 |
0 |
|
|
75312 |
48423317 |
1 |
NO3C17H25 |
AB3C17D25 |
-113.11 |
4.07 |
-8.65 |
0.53 |
0 |
|
|
75313 |
48423318 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-18.42 |
3.0 |
-8.72 |
-0.58 |
0 |
|
|
75314 |
48423319 |
1 |
SN2O5C16H26 |
AB2C5D16E26 |
-206.57 |
6.77 |
-9.59 |
0.26 |
0 |
|
|
75315 |
48423320 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-93.18 |
2.02 |
-8.77 |
0.08 |
0 |
|
|
75316 |
48423321 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-97.13 |
4.19 |
-8.68 |
0.23 |
0 |
|
|
75317 |
48423322 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-131.56 |
5.08 |
-9.0 |
-0.14 |
0 |
|
|
75318 |
48423323 |
1 |
FN2O2C18H25 |
AB2C2D18E25 |
-92.78 |
4.61 |
-8.89 |
-0.11 |
0 |
|
|
75319 |
48423324 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-52.43 |
4.3 |
-8.84 |
0.27 |
0 |
|
|
75320 |
48423325 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-86.76 |
1.76 |
-8.77 |
0.15 |
0 |
|
|
75321 |
48423326 |
2 |
NOC9H13 |
ABC9D13 |
-44.05 |
4.01 |
-9.05 |
0.29 |
0 |
|
|
75322 |
48423327 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-180.95 |
2.42 |
-8.15 |
0.09 |
0 |
|
|
75323 |
48423328 |
1 |
NO4C19H27 |
AB4C19D27 |
-143.49 |
4.72 |
-8.45 |
0.1 |
0 |
|
|
75324 |
48423330 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-137.09 |
3.47 |
-8.8 |
0.11 |
0 |
|
|
75325 |
48423331 |
1 |
NO3C17H23 |
AB3C17D23 |
-102.92 |
4.34 |
-8.64 |
0.41 |
0 |
|
|
75326 |
48423332 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-62.48 |
2.56 |
-8.99 |
-0.61 |
0 |
|
|
75327 |
48423333 |
1 |
SN2O2C17H22 |
AB2C2D17E22 |
-28.49 |
6.7 |
-9.02 |
-0.9 |
0 |
|
|
75328 |
48423334 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-206.67 |
2.37 |
-8.3 |
-0.15 |
0 |
|
|
75329 |
48423335 |
1 |
NO3C21H31 |
AB3C21D31 |
-114.11 |
2.77 |
-8.7 |
0.18 |
0 |
|
|
75330 |
48423336 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-96.67 |
1.31 |
-9.0 |
-0.3 |
0 |
|
|
75331 |
48423337 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-61.54 |
2.88 |
-8.84 |
-0.11 |
0 |
|
|
75332 |
48423338 |
1 |
BrSN2O3C16H17 |
ABC2D3E16F17 |
-78.19 |
2.98 |
-9.37 |
-0.6 |
0 |
|
|
75333 |
48423339 |
1 |
BrNSO2C12H16 |
ABCD2E12F16 |
-42.29 |
3.26 |
-9.4 |
-0.59 |
0 |
|
|
75334 |
48423340 |
1 |
NO5C17H25 |
AB5C17D25 |
-175.75 |
4.34 |
-8.35 |
-0.05 |
0 |
|
|
75335 |
48423341 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-170.67 |
4.95 |
-9.29 |
0.34 |
0 |
|
|
75336 |
48423343 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-139.45 |
4.96 |
-8.28 |
-0.08 |
0 |
|
|
75337 |
48423344 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-105.34 |
4.96 |
-8.21 |
0.17 |
0 |
|
|
75338 |
48423345 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-129.18 |
8.68 |
-8.99 |
0.82 |
0 |
|
|
75339 |
48423346 |
1 |
SN4O5C17H26 |
AB4C5D17E26 |
-187.07 |
3.68 |
-9.35 |
-0.22 |
0 |
|
|
75340 |
48423347 |
1 |
SN3O4C13H25 |
AB3C4D13E25 |
-153.97 |
5.44 |
-9.2 |
-0.13 |
0 |
|
|
75341 |
48423352 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-106.08 |
3.52 |
-8.84 |
0.0 |
0 |
|
|
75342 |
48423355 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-102.79 |
3.69 |
-9.48 |
-0.39 |
0 |
|
|
75343 |
48423356 |
1 |
NO4C22H29 |
AB4C22D29 |
-141.49 |
3.47 |
-8.57 |
0.1 |
0 |
|
|
75344 |
48423357 |
1 |
N2F3O3C13H15 |
A2B3C3D13E15 |
-277.32 |
3.51 |
-9.91 |
-0.23 |
0 |
|
|
75345 |
48423361 |
1 |
N2F3O3C19H25 |
A2B3C3D19E25 |
-247.86 |
5.38 |
-9.02 |
-0.28 |
0 |
|
|
75346 |
48423362 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-137.48 |
4.45 |
-9.04 |
-0.14 |
0 |
|
|
75347 |
48423363 |
1 |
N3O3C23H29 |
A3B3C23D29 |
-99.47 |
1.96 |
-8.8 |
0.14 |
0 |
|
|
75348 |
48423364 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-59.78 |
3.37 |
-8.98 |
0.32 |
0 |
|
|
75349 |
48423365 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-89.48 |
2.17 |
-8.76 |
0.97 |
0 |
|
|
75350 |
48423366 |
1 |
FN2O4C19H21 |
AB2C4D19E21 |
-177.93 |
3.93 |
-8.89 |
-0.11 |
0 |
|
|
75351 |
48423367 |
1 |
NO2F3C9H14 |
AB2C3D9E14 |
-243.81 |
2.97 |
-10.15 |
0.47 |
0 |