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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
408403 |
135081169 |
1 |
SiO2C15H24 |
AB2C15D24 |
-95.66 |
3.01 |
-9.25 |
0.5 |
0 |
|
|
408404 |
135081170 |
1 |
NO5C9H15 |
AB5C9D15 |
-240.15 |
4.02 |
-10.09 |
0.36 |
0 |
|
|
408405 |
135081171 |
1 |
SN2O2C7H14 |
AB2C2D7E14 |
-19.39 |
7.07 |
-8.66 |
-0.37 |
0 |
|
|
408406 |
135081172 |
1 |
O2S3H6C8 |
A2B3C6D8 |
-27.27 |
5.13 |
-8.94 |
-1.14 |
0 |
|
|
408407 |
135081173 |
1 |
LiS2Br3C6 |
AB2C3D6 |
81.63 |
8.55 |
-8.3 |
-0.67 |
0 |
|
|
408408 |
135081174 |
1 |
SiO3C13H28 |
AB3C13D28 |
-230.43 |
2.49 |
-8.79 |
0.86 |
0 |
|
|
408409 |
135081175 |
1 |
ON3C10H17 |
AB3C10D17 |
-3.66 |
3.74 |
-9.34 |
-0.43 |
1 |
|
|
408410 |
135081176 |
1 |
ON3C10H18 |
AB3C10D18 |
-1.21 |
7.86 |
0.0 |
0.0 |
-1 |
|
|
408411 |
135081177 |
1 |
CoO6H7C8 |
AB6C7D8 |
-226.32 |
30.7 |
-10.4 |
-4.43 |
-1 |
|
|
408412 |
135081178 |
1 |
NO3C6H12 |
AB3C6D12 |
-138.67 |
1.12 |
0.0 |
0.0 |
0 |
|
|
408413 |
135081179 |
1 |
OC17H24 |
AB17C24 |
-33.43 |
1.62 |
-9.07 |
0.38 |
0 |
|
|
408414 |
135081180 |
1 |
ClO2C9H9 |
AB2C9D9 |
-70.61 |
3.71 |
-9.94 |
-0.64 |
-1 |
|
|
408415 |
135081181 |
1 |
O3C4N4H7 |
A3B4C4D7 |
-50.41 |
5.54 |
0.0 |
0.0 |
0 |
|
|
408416 |
135081182 |
1 |
O3C4N4H8 |
A3B4C4D8 |
-62.61 |
2.22 |
-10.42 |
-0.65 |
-1 |
|
|
408417 |
135081183 |
1 |
NO5C10H16 |
AB5C10D16 |
-208.05 |
1.38 |
0.0 |
0.0 |
0 |
|
|
408418 |
135081184 |
1 |
NO5C10H17 |
AB5C10D17 |
-221.39 |
4.38 |
-10.18 |
0.46 |
0 |
|
|
408419 |
135081185 |
1 |
SiO2C13H26 |
AB2C13D26 |
-148.27 |
5.23 |
-9.66 |
0.17 |
0 |
|
|
408420 |
135081186 |
1 |
SiCl3F3H8C9 |
AB3C3D8E9 |
-268.55 |
3.5 |
-9.65 |
-0.99 |
0 |
|
|
408421 |
135081187 |
1 |
BrOC10H11 |
ABC10D11 |
2.71 |
2.71 |
-9.64 |
-0.33 |
0 |
|
|
408422 |
135081188 |
1 |
O2C13H16 |
A2B13C16 |
-70.88 |
1.76 |
-8.72 |
0.24 |
0 |
|
|
408423 |
135081189 |
1 |
SCl3H9C12 |
AB3C9D12 |
47.61 |
2.58 |
-8.55 |
-0.98 |
0 |
|
|
408424 |
135081190 |
1 |
Cl2N3H7C9 |
A2B3C7D9 |
59.87 |
0.52 |
-9.39 |
-0.94 |
0 |
|
|
408426 |
135081192 |
2 |
N5C15H16 |
A5B15C16 |
230.79 |
2.13 |
-7.94 |
-2.15 |
0 |
|
|
408427 |
135081193 |
1 |
NiN8H36C40 |
AB8C36D40 |
309.7 |
3.98 |
-8.32 |
-1.15 |
0 |
|
|
408429 |
135081195 |
1 |
ZnN8Cl16O16C128H128 |
AB8C16D16E128F128 |
-137.95 |
14.23 |
-8.98 |
-2.33 |
0 |
|
|
408430 |
135081196 |
2 |
N4Cl8O8C64H65 |
A4B8C8D64E65 |
-248.58 |
12.08 |
-7.89 |
-2.76 |
0 |
|
|
408431 |
135081197 |
1 |
BN6O7H55C64 |
AB6C7D55E64 |
125.76 |
3.64 |
-4.98 |
-3.76 |
0 |
|
|
408432 |
135081198 |
1 |
ZnO2S6N8H64C75 |
AB2C6D8E64F75 |
520.56 |
8.0 |
-7.94 |
-2.7 |
0 |
|
|
408433 |
135081199 |
1 |
O2S6N8H66C75 |
A2B6C8D66E75 |
324.78 |
15.64 |
-7.99 |
-2.13 |
0 |
|
|
408434 |
135081200 |
1 |
NSeO2C5H7 |
ABC2D5E7 |
-53.93 |
5.57 |
-8.55 |
-0.84 |
0 |
|
|
408435 |
135081201 |
1 |
ClO2C12H13 |
AB2C12D13 |
-57.63 |
1.85 |
-9.49 |
-0.64 |
0 |
|
|
408436 |
135081202 |
1 |
O5C8H12 |
A5B8C12 |
-225.36 |
3.23 |
-10.16 |
0.16 |
0 |
|
|
408437 |
135081203 |
1 |
NOC10H19 |
ABC10D19 |
-62.85 |
2.74 |
-8.54 |
2.22 |
0 |
|
|
408438 |
135081204 |
1 |
O5C6H12 |
A5B6C12 |
-235.53 |
6.31 |
-10.11 |
1.31 |
0 |
|
|
408439 |
135081205 |
1 |
NOC11H13 |
ABC11D13 |
5.27 |
3.86 |
-9.45 |
-0.21 |
0 |
|
|
408440 |
135081206 |
1 |
NOC9H13 |
ABC9D13 |
-19.54 |
2.23 |
-8.81 |
0.26 |
0 |
|
|
408441 |
135081207 |
2 |
OC6H7 |
AB6C7 |
-77.55 |
3.3 |
-8.85 |
0.14 |
0 |
|
|
408442 |
135081208 |
1 |
O2C9H16 |
A2B9C16 |
-93.03 |
1.51 |
-9.93 |
2.03 |
0 |
|
|
408443 |
135081209 |
2 |
O2C4H7 |
A2B4C7 |
-168.98 |
3.38 |
-10.26 |
-0.26 |
0 |
|
|
408444 |
135081210 |
1 |
O4C11H16 |
A4B11C16 |
-183.73 |
4.08 |
-10.27 |
0.08 |
0 |
|
|
408445 |
135081211 |
1 |
OSSiN2C11H18 |
ABCD2E11F18 |
-61.68 |
3.64 |
-9.36 |
-0.69 |
0 |
|
|
408446 |
135081212 |
2 |
NC7H12 |
AB7C12 |
33.11 |
1.73 |
-8.02 |
1.93 |
0 |
|
|
408447 |
135081213 |
1 |
NO6C10H17 |
AB6C10D17 |
-253.28 |
2.18 |
-10.32 |
-0.36 |
0 |
|
|
408448 |
135081214 |
1 |
NO2C6H11 |
AB2C6D11 |
-87.31 |
4.19 |
-10.98 |
1.11 |
0 |
|
|
408449 |
135081215 |
1 |
NO2C6H13 |
AB2C6D13 |
-102.8 |
1.9 |
-9.24 |
2.11 |
0 |
|
|
408450 |
135081216 |
1 |
NO6C12H19 |
AB6C12D19 |
-250.44 |
3.77 |
-10.23 |
0.66 |
0 |
|
|
408451 |
135081217 |
1 |
SiO3C10H22 |
AB3C10D22 |
-215.58 |
2.8 |
-9.26 |
1.06 |
0 |
|
|
408452 |
135081218 |
1 |
BrON3C10H12 |
ABC3D10E12 |
42.82 |
1.56 |
-9.88 |
-0.67 |
0 |
|
|
408453 |
135081219 |
1 |
OF4H8C9 |
AB4C8D9 |
-237.28 |
2.76 |
-10.43 |
-0.82 |
0 |
|
|
408454 |
135081220 |
1 |
OC14H26 |
AB14C26 |
-80.83 |
3.44 |
-9.64 |
0.77 |
0 |
|
|
408455 |
135081221 |
1 |
BrNOH12C14 |
ABCD12E14 |
33.28 |
3.99 |
-9.18 |
-0.79 |
0 |
|
|
408456 |
135081222 |
2 |
OC6H8 |
AB6C8 |
-68.05 |
3.92 |
-8.78 |
0.14 |
0 |
|
|
408457 |
135081223 |
1 |
ClO3C11H11 |
AB3C11D11 |
-92.75 |
3.87 |
-9.4 |
-0.38 |
0 |
|
|
408458 |
135081224 |
1 |
SCl5C7H7 |
AB5C7D7 |
-15.98 |
2.91 |
-9.12 |
-0.88 |
0 |
|
|
408459 |
135081225 |
2 |
OC7H13 |
AB7C13 |
-143.85 |
3.66 |
-9.75 |
0.61 |
0 |
|
|
408460 |
135081226 |
1 |
FSC13H15 |
ABC13D15 |
-30.17 |
2.99 |
-8.73 |
-0.14 |
0 |
|
|
408461 |
135081227 |
1 |
O4C13H18 |
A4B13C18 |
-170.0 |
4.23 |
-8.83 |
0.23 |
0 |
|
|
408462 |
135081228 |
1 |
SBr3Cl3H4C10 |
AB3C3D4E10 |
56.58 |
0.81 |
-9.41 |
-1.6 |
0 |
|
|
408463 |
135081229 |
1 |
ISC11H11 |
ABC11D11 |
67.8 |
2.18 |
-8.45 |
-1.03 |
0 |
|
|
408464 |
135081230 |
1 |
NO3C13H15 |
AB3C13D15 |
-2.73 |
8.11 |
-9.76 |
-1.12 |
0 |
|
|
408465 |
135081231 |
1 |
BrSF3H6C8 |
ABC3D6E8 |
-123.66 |
3.91 |
-9.54 |
-0.78 |
0 |
|
|
408466 |
135081232 |
1 |
O2C9H16 |
A2B9C16 |
-117.81 |
3.72 |
-9.75 |
0.54 |
0 |
|
|
408467 |
135081233 |
1 |
F3C11H11 |
A3B11C11 |
-137.66 |
3.0 |
-9.4 |
-0.22 |
0 |
|
|
408468 |
135081234 |
1 |
BrOF2C9H17 |
ABC2D9E17 |
-182.56 |
1.9 |
-10.91 |
-1.29 |
0 |
|
|
408469 |
135081235 |
1 |
O2C13H14 |
A2B13C14 |
-65.91 |
5.52 |
-9.83 |
-0.28 |
0 |
|
|
408470 |
135081236 |
1 |
PCl2O3C10H19 |
AB2C3D10E19 |
-203.68 |
3.94 |
-9.93 |
-0.27 |
0 |
|
|
408471 |
135081237 |
1 |
NO3C11H15 |
AB3C11D15 |
-117.29 |
2.49 |
-9.42 |
0.29 |
0 |
|
|
408472 |
135081238 |
3 |
OC7H8 |
AB7C8 |
-78.53 |
2.97 |
-9.13 |
-2.0 |
0 |
|
|
408475 |
135081241 |
1 |
NO6C25H35 |
AB6C25D35 |
-191.11 |
6.69 |
-8.04 |
-1.98 |
0 |
|
|
408476 |
135081242 |
1 |
NO5C22H29 |
AB5C22D29 |
-196.02 |
10.64 |
-9.38 |
-1.65 |
0 |
|
|
408477 |
135081243 |
1 |
O3C10H12 |
A3B10C12 |
-98.71 |
4.7 |
-10.06 |
-0.5 |
0 |
|
|
408478 |
135081244 |
1 |
O4H10C11 |
A4B10C11 |
-92.23 |
2.88 |
-9.32 |
-0.75 |
0 |
|
|
408479 |
135081245 |
1 |
O3C11H20 |
A3B11C20 |
-151.94 |
3.21 |
-10.13 |
1.17 |
0 |
|
|
408480 |
135081246 |
1 |
O11C42H70 |
A11B42C70 |
-583.83 |
5.36 |
-9.92 |
0.0 |
0 |
|
|
408481 |
135081247 |
1 |
CuS2N3F6O8H19C25 |
AB2C3D6E8F19G25 |
-385.91 |
8.39 |
0.0 |
0.0 |
0 |
|
|
408482 |
135081248 |
1 |
N2O3H18C22 |
A2B3C18D22 |
25.14 |
7.89 |
-9.16 |
-1.37 |
1 |
|
|
408483 |
135081249 |
1 |
N2O3H19C22 |
A2B3C19D22 |
17.08 |
6.05 |
0.0 |
0.0 |
0 |
|
|
408484 |
135081250 |
1 |
INS2H4C6 |
ABC2D4E6 |
77.42 |
5.37 |
-8.34 |
-2.06 |
0 |
|
|
408485 |
135081251 |
1 |
ClN2O3H13C16 |
AB2C3D13E16 |
-12.52 |
8.35 |
-9.24 |
-1.42 |
1 |
|
|
408486 |
135081252 |
1 |
ClN2O3H14C16 |
AB2C3D14E16 |
-18.51 |
7.5 |
0.0 |
0.0 |
0 |
|
|
408487 |
135081253 |
1 |
O3C10H16 |
A3B10C16 |
-147.4 |
6.72 |
-10.38 |
1.2 |
1 |
|
|
408488 |
135081254 |
1 |
ON2C14H17 |
AB2C14D17 |
1.96 |
3.98 |
0.0 |
0.0 |
0 |
|
|
408489 |
135081255 |
1 |
PN2H7C12 |
AB2C7D12 |
81.23 |
3.23 |
-8.35 |
-1.12 |
0 |
|
|
408490 |
135081256 |
1 |
PtSBr2C5H10 |
ABC2D5E10 |
39.52 |
2.77 |
-9.48 |
-2.38 |
0 |
|
|
408491 |
135081257 |
1 |
PtSI2C5H10 |
ABC2D5E10 |
31.57 |
2.93 |
-8.72 |
-2.71 |
0 |
|
|
408492 |
135081258 |
1 |
PtSeCl2C5H10 |
ABC2D5E10 |
116.18 |
2.72 |
-9.17 |
-4.01 |
0 |
|
|
408493 |
135081259 |
1 |
SeC5H10 |
AB5C10 |
9.76 |
1.3 |
-8.27 |
0.31 |
0 |
|
|
408494 |
135081260 |
1 |
BNC9H18 |
ABC9D18 |
-46.62 |
2.65 |
-8.97 |
1.73 |
0 |
|
|
408495 |
135081261 |
1 |
BNC11H18 |
ABC11D18 |
-14.85 |
2.77 |
-8.23 |
1.81 |
0 |
|
|
408496 |
135081262 |
1 |
BNC13H22 |
ABC13D22 |
-28.94 |
2.62 |
-8.23 |
1.78 |
0 |
|
|
408497 |
135081263 |
1 |
BSiC17H29 |
ABC17D29 |
-46.87 |
1.82 |
-8.05 |
0.5 |
0 |
|
|
408498 |
135081264 |
1 |
BH23C26 |
AB23C26 |
88.49 |
0.8 |
-8.76 |
-0.3 |
0 |
|
|
408499 |
135081265 |
1 |
BClH18C20 |
ABC18D20 |
30.5 |
0.87 |
-8.84 |
-0.39 |
1 |
|
|
408500 |
135081266 |
1 |
KC15H23 |
AB15C23 |
16.04 |
10.09 |
-5.49 |
0.22 |
0 |
|
|
408501 |
135081267 |
1 |
C15H23 |
A15B23 |
17.8 |
0.95 |
0.0 |
0.0 |
1 |
|
|
408502 |
135081268 |
1 |
KC9H17 |
AB9C17 |
-5.52 |
8.97 |
-5.35 |
0.31 |
0 |
|
|
408503 |
135081269 |
1 |
C9H17 |
A9B17 |
-6.81 |
0.44 |
0.0 |
0.0 |
1 |
|
|
408504 |
135081270 |
1 |
NK2O2C13H23 |
AB2C2D13E23 |
-132.03 |
10.61 |
-5.56 |
0.28 |
0 |
|
|
408505 |
135081271 |
1 |
NO2C13H24 |
AB2C13D24 |
-110.88 |
1.85 |
0.0 |
0.0 |
0 |
|
|
408506 |
135081272 |
1 |
KC14H21 |
AB14C21 |
8.87 |
8.67 |
-6.27 |
0.45 |
0 |