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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
356185 |
127291221 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-42.79 |
7.11 |
-8.55 |
-0.34 |
0 |
|
|
356186 |
127291222 |
1 |
SO2N5C19H29 |
AB2C5D19E29 |
-61.22 |
6.99 |
-8.06 |
-0.43 |
0 |
|
|
356187 |
127291223 |
1 |
S2N3O4C16H27 |
A2B3C4D16E27 |
-175.6 |
9.43 |
-8.96 |
0.01 |
0 |
|
|
356188 |
127291224 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-116.22 |
6.82 |
-9.07 |
-0.44 |
0 |
|
|
356189 |
127291225 |
1 |
SN3O3C19H31 |
AB3C3D19E31 |
-145.9 |
3.74 |
-9.42 |
-0.35 |
0 |
|
|
356190 |
127291226 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-114.74 |
6.16 |
-9.37 |
-0.37 |
0 |
|
|
356191 |
127291227 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-137.7 |
2.53 |
-9.13 |
-0.17 |
0 |
|
|
356192 |
127291228 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-71.79 |
1.37 |
-8.97 |
-0.22 |
0 |
|
|
356193 |
127291229 |
1 |
S2N3O4C15H25 |
A2B3C4D15E25 |
-162.21 |
7.24 |
-8.9 |
0.04 |
0 |
|
|
356194 |
127291230 |
1 |
SN2O2C10H18 |
AB2C2D10E18 |
-104.2 |
3.66 |
-9.02 |
-0.06 |
0 |
|
|
356195 |
127291231 |
1 |
SO2N6C16H18 |
AB2C6D16E18 |
29.25 |
10.4 |
-9.23 |
-1.16 |
0 |
|
|
356196 |
127291232 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
-90.98 |
3.76 |
-8.74 |
-0.48 |
0 |
|
|
356197 |
127291233 |
1 |
SN2O4C20H28 |
AB2C4D20E28 |
-169.35 |
5.77 |
-8.64 |
-0.25 |
0 |
|
|
356198 |
127291234 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-185.86 |
2.1 |
-9.43 |
-0.38 |
0 |
|
|
356199 |
127291235 |
1 |
SN3O4C17H29 |
AB3C4D17E29 |
-203.62 |
3.29 |
-9.01 |
0.0 |
0 |
|
|
356200 |
127291236 |
1 |
SN3O4C16H27 |
AB3C4D16E27 |
-192.53 |
4.18 |
-9.31 |
-0.4 |
0 |
|
|
356201 |
127291237 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-38.18 |
3.33 |
-8.83 |
-0.47 |
0 |
|
|
356202 |
127291238 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-7.54 |
2.85 |
-8.83 |
-0.47 |
0 |
|
|
356203 |
127291239 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-74.58 |
0.95 |
-8.92 |
-0.29 |
0 |
|
|
356204 |
127291240 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-58.64 |
2.47 |
-8.75 |
-0.16 |
0 |
|
|
356205 |
127291241 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-79.58 |
0.74 |
-8.9 |
-0.24 |
0 |
|
|
356206 |
127291242 |
1 |
FSO2N3C20H22 |
ABC2D3E20F22 |
-82.74 |
4.49 |
-8.83 |
-0.53 |
0 |
|
|
356207 |
127291243 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-66.41 |
2.37 |
-8.98 |
-0.08 |
0 |
|
|
356208 |
127291244 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-80.91 |
6.21 |
-8.89 |
0.09 |
0 |
|
|
356209 |
127291245 |
1 |
SN2O3C14H22 |
AB2C3D14E22 |
-136.42 |
2.38 |
-9.04 |
-0.09 |
0 |
|
|
356210 |
127291246 |
1 |
FSN3O3C19H24 |
ABC3D3E19F24 |
-180.76 |
6.65 |
-8.81 |
-0.55 |
0 |
|
|
356211 |
127291247 |
1 |
FSN3O3C18H22 |
ABC3D3E18F22 |
-173.72 |
6.9 |
-8.86 |
-0.53 |
0 |
|
|
356212 |
127291248 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-20.87 |
3.18 |
-8.75 |
-0.72 |
0 |
|
|
356213 |
127291249 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-127.74 |
6.49 |
-8.74 |
-0.03 |
0 |
|
|
356214 |
127291250 |
1 |
ClSN2O4C18H21 |
ABC2D4E18F21 |
-139.46 |
4.38 |
-8.82 |
-0.21 |
0 |
|
|
356215 |
127291251 |
1 |
ClSN2O4C18H23 |
ABC2D4E18F23 |
-159.78 |
2.03 |
-8.96 |
-0.37 |
0 |
|
|
356216 |
127291252 |
1 |
SO2N3C18H31 |
AB2C3D18E31 |
-116.63 |
5.14 |
-8.79 |
-0.14 |
0 |
|
|
356217 |
127291253 |
1 |
SO2N3C17H31 |
AB2C3D17E31 |
-123.39 |
3.88 |
-8.88 |
-0.01 |
0 |
|
|
356218 |
127291254 |
1 |
O2S2N3C19H33 |
A2B2C3D19E33 |
-111.87 |
1.18 |
-8.53 |
-0.08 |
0 |
|
|
356219 |
127291255 |
1 |
SO3N4C18H30 |
AB3C4D18E30 |
-145.25 |
4.43 |
-9.07 |
-0.06 |
0 |
|
|
356220 |
127291256 |
1 |
SO3N4C18H32 |
AB3C4D18E32 |
-160.42 |
5.37 |
-9.0 |
-0.2 |
0 |
|
|
356221 |
127291257 |
1 |
SO3N4C17H28 |
AB3C4D17E28 |
-127.23 |
4.72 |
-8.97 |
0.02 |
0 |
|
|
356222 |
127291258 |
1 |
SO3N4C17H30 |
AB3C4D17E30 |
-151.64 |
4.01 |
-8.89 |
-0.29 |
0 |
|
|
356223 |
127291259 |
1 |
SO2N3C19H33 |
AB2C3D19E33 |
-117.04 |
7.33 |
-8.86 |
0.14 |
0 |
|
|
356224 |
127291260 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-122.33 |
7.56 |
-8.81 |
0.2 |
0 |
|
|
356225 |
127291261 |
1 |
O2S2N3C17H19 |
A2B2C3D17E19 |
-41.57 |
3.04 |
-9.06 |
-0.92 |
0 |
|
|
356226 |
127291262 |
1 |
SO2N3C18H31 |
AB2C3D18E31 |
-117.34 |
3.4 |
-8.92 |
-0.06 |
0 |
|
|
356227 |
127291263 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-129.69 |
4.75 |
-8.95 |
-0.01 |
0 |
|
|
356228 |
127291264 |
1 |
SO2N3C17H29 |
AB2C3D17E29 |
-100.33 |
2.73 |
-8.64 |
0.02 |
0 |
|
|
356229 |
127291265 |
1 |
SO2N3C17H31 |
AB2C3D17E31 |
-122.28 |
3.01 |
-8.88 |
-0.01 |
0 |
|
|
356230 |
127291266 |
1 |
SO2N3C18H31 |
AB2C3D18E31 |
-113.42 |
2.85 |
-8.92 |
-0.07 |
0 |
|
|
356231 |
127291267 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-125.9 |
4.45 |
-8.95 |
-0.02 |
0 |
|
|
356232 |
127291305 |
1 |
SN2O4C14H24 |
AB2C4D14E24 |
-188.53 |
3.86 |
-9.08 |
-0.13 |
0 |
|
|
356233 |
127291306 |
1 |
SN2O3C16H26 |
AB2C3D16E26 |
-151.65 |
1.14 |
-9.3 |
-0.26 |
0 |
|
|
356234 |
127291307 |
1 |
SN2O3C16H28 |
AB2C3D16E28 |
-166.61 |
2.46 |
-9.34 |
-0.3 |
0 |
|
|
356235 |
127291308 |
1 |
SN2O3C15H26 |
AB2C3D15E26 |
-156.31 |
0.61 |
-9.31 |
-0.26 |
0 |
|
|
356236 |
127291309 |
1 |
SO2F3N3C17H26 |
AB2C3D3E17F26 |
-266.32 |
3.34 |
-9.4 |
-0.35 |
0 |
|
|
356237 |
127291310 |
1 |
SO2F3N3C16H24 |
AB2C3D3E16F24 |
-250.46 |
6.6 |
-9.22 |
-0.26 |
0 |
|
|
356238 |
127291311 |
1 |
SO2F3N3C16H26 |
AB2C3D3E16F26 |
-272.82 |
6.87 |
-9.18 |
-0.23 |
0 |
|
|
356239 |
127291312 |
1 |
SN2O3C18H30 |
AB2C3D18E30 |
-161.01 |
4.09 |
-9.07 |
-0.05 |
0 |
|
|
356240 |
127291313 |
1 |
O2S2N3C19H27 |
A2B2C3D19E27 |
-67.27 |
2.28 |
-8.81 |
-0.32 |
0 |
|
|
356241 |
127291314 |
1 |
O2S2N3C19H29 |
A2B2C3D19E29 |
-80.7 |
2.78 |
-8.84 |
-0.29 |
0 |
|
|
356242 |
127291315 |
1 |
O2S2N3C18H25 |
A2B2C3D18E25 |
-52.43 |
3.05 |
-8.69 |
-0.18 |
0 |
|
|
356243 |
127291316 |
1 |
O2S2N3C18H27 |
A2B2C3D18E27 |
-72.59 |
4.98 |
-8.75 |
-0.08 |
0 |
|
|
356244 |
127291317 |
1 |
FSN2O3C20H25 |
ABC2D3E20F25 |
-164.12 |
2.99 |
-9.16 |
-0.5 |
0 |
|
|
356245 |
127291318 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-49.28 |
6.25 |
-8.92 |
-0.66 |
0 |
|
|
356246 |
127291319 |
2 |
OSN2C9H14 |
ABC2D9E14 |
-63.34 |
6.83 |
-8.87 |
-0.75 |
0 |
|
|
356247 |
127291320 |
1 |
O2S2N4C17H24 |
A2B2C4D17E24 |
-35.37 |
0.89 |
-8.95 |
-0.56 |
0 |
|
|
356248 |
127291321 |
1 |
O2S2N4C17H26 |
A2B2C4D17E26 |
-54.53 |
6.85 |
-8.86 |
-0.67 |
0 |
|
|
356249 |
127291322 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-87.05 |
6.26 |
-8.67 |
-0.12 |
0 |
|
|
356250 |
127291323 |
1 |
SO2N3C19H33 |
AB2C3D19E33 |
-105.62 |
6.57 |
-8.76 |
0.07 |
0 |
|
|
356251 |
127291324 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-100.11 |
4.75 |
-8.76 |
-0.1 |
0 |
|
|
356252 |
127291325 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-120.98 |
5.25 |
-8.9 |
-0.04 |
0 |
|
|
356253 |
127291326 |
1 |
S2N3O4C16H29 |
A2B3C4D16E29 |
-196.12 |
2.96 |
-9.17 |
-0.18 |
0 |
|
|
356254 |
127291327 |
1 |
S2N3O4C15H25 |
A2B3C4D15E25 |
-168.32 |
8.09 |
-9.26 |
-0.3 |
0 |
|
|
356255 |
127291328 |
1 |
S2N3O4C15H27 |
A2B3C4D15E27 |
-190.18 |
8.29 |
-9.18 |
-0.22 |
0 |
|
|
356256 |
127291329 |
1 |
SN3O3C17H29 |
AB3C3D17E29 |
-115.29 |
7.5 |
-8.85 |
0.13 |
0 |
|
|
356257 |
127291330 |
1 |
SN2O3C16H26 |
AB2C3D16E26 |
-154.49 |
2.45 |
-9.19 |
-0.16 |
0 |
|
|
356258 |
127291331 |
1 |
SN2O3C15H24 |
AB2C3D15E24 |
-134.25 |
7.22 |
-8.94 |
0.04 |
0 |
|
|
356259 |
127291332 |
1 |
SO3N4C18H20 |
AB3C4D18E20 |
-34.5 |
3.78 |
-8.93 |
-0.63 |
0 |
|
|
356260 |
127291333 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
-47.55 |
3.72 |
-9.17 |
-0.65 |
0 |
|
|
356261 |
127291334 |
1 |
SO2N3C19H21 |
AB2C3D19E21 |
-29.81 |
2.42 |
-9.04 |
-0.78 |
0 |
|
|
356262 |
127291335 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-49.71 |
2.09 |
-9.05 |
-0.75 |
0 |
|
|
356263 |
127291336 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-48.22 |
7.45 |
-9.01 |
-0.05 |
0 |
|
|
356264 |
127291337 |
1 |
SO2N3C19H33 |
AB2C3D19E33 |
-110.57 |
6.2 |
-8.71 |
0.04 |
0 |
|
|
356265 |
127291338 |
1 |
SO2N3C18H31 |
AB2C3D18E31 |
-95.49 |
7.09 |
-8.75 |
0.0 |
0 |
|
|
356266 |
127291339 |
1 |
SO2N3C18H33 |
AB2C3D18E33 |
-116.89 |
8.13 |
-8.77 |
0.23 |
0 |
|
|
356267 |
127291340 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-110.84 |
3.23 |
-8.69 |
-0.54 |
0 |
|
|
356268 |
127291341 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-96.7 |
7.02 |
-8.68 |
-0.34 |
0 |
|
|
356269 |
127291342 |
1 |
SN3O3C20H33 |
AB3C3D20E33 |
-158.54 |
4.94 |
-8.93 |
0.04 |
0 |
|
|
356270 |
127291343 |
1 |
SO2F3N3C16H24 |
AB2C3D3E16F24 |
-252.53 |
2.37 |
-9.39 |
-0.38 |
0 |
|
|
356271 |
127291344 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
-29.49 |
4.45 |
-8.61 |
-0.34 |
0 |
|
|
356272 |
127291345 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-97.12 |
4.42 |
-9.13 |
-0.17 |
0 |
|
|
356273 |
127291346 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-118.06 |
4.03 |
-9.14 |
-0.1 |
0 |
|
|
356274 |
127291347 |
1 |
SN3O4C17H27 |
AB3C4D17E27 |
-187.7 |
2.83 |
-9.16 |
-0.18 |
0 |
|
|
356275 |
127291348 |
1 |
SN3O4C17H29 |
AB3C4D17E29 |
-199.87 |
2.64 |
-9.21 |
-0.22 |
0 |
|
|
356276 |
127291349 |
1 |
SN3O4C16H25 |
AB3C4D16E25 |
-163.39 |
2.33 |
-8.81 |
0.17 |
0 |
|
|
356277 |
127291350 |
1 |
SN3O4C16H27 |
AB3C4D16E27 |
-188.54 |
3.98 |
-9.02 |
-0.04 |
0 |
|
|
356278 |
127291351 |
1 |
SO2N3C21H35 |
AB2C3D21E35 |
-123.25 |
3.02 |
-8.82 |
-0.25 |
0 |
|
|
356279 |
127291352 |
1 |
SO2N3C21H37 |
AB2C3D21E37 |
-136.06 |
1.35 |
-8.86 |
-0.01 |
0 |
|
|
356280 |
127291353 |
1 |
SO2N3C20H33 |
AB2C3D20E33 |
-107.2 |
3.18 |
-8.82 |
-0.26 |
0 |
|
|
356281 |
127291354 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-40.11 |
1.91 |
-8.82 |
-0.55 |
0 |
|
|
356282 |
127291355 |
1 |
SO2N3C19H33 |
AB2C3D19E33 |
-119.5 |
0.88 |
-8.61 |
-0.18 |
0 |
|
|
356283 |
127291356 |
1 |
SO2N3C18H31 |
AB2C3D18E31 |
-103.93 |
4.67 |
-8.58 |
-0.13 |
0 |
|
|
356284 |
127291357 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-39.73 |
5.9 |
-9.01 |
-0.24 |
0 |