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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
410431 |
135083227 |
1 |
N3O12C19H27 |
A3B12C19D27 |
-405.78 |
4.07 |
-10.05 |
-1.2 |
0 |
|
|
410432 |
135083228 |
1 |
NO7C15H21 |
AB7C15D21 |
-305.11 |
7.35 |
-10.34 |
0.26 |
0 |
|
|
410433 |
135083229 |
1 |
NO7C15H21 |
AB7C15D21 |
-312.29 |
3.51 |
-10.39 |
-0.19 |
0 |
|
|
410434 |
135083230 |
1 |
PN2O5C10H19 |
AB2C5D10E19 |
-302.25 |
6.21 |
-10.56 |
-0.27 |
-2 |
|
|
410435 |
135083231 |
1 |
NPO4C5H8 |
ABC4D5E8 |
-141.89 |
6.19 |
-9.31 |
-0.63 |
0 |
|
|
410436 |
135083232 |
1 |
PN2H7C10 |
AB2C7D10 |
81.41 |
2.46 |
-8.3 |
-0.88 |
0 |
|
|
410437 |
135083234 |
1 |
O9C31H36 |
A9B31C36 |
-224.83 |
4.81 |
-9.59 |
-2.26 |
0 |
|
|
410438 |
135083235 |
1 |
PtP2C16H36 |
AB2C16D36 |
18.05 |
1.9 |
-8.65 |
-0.73 |
0 |
|
|
410439 |
135083236 |
1 |
BO2C12H21 |
AB2C12D21 |
-156.24 |
1.17 |
-8.22 |
0.72 |
0 |
|
|
410440 |
135083237 |
1 |
BC6H11 |
AB6C11 |
-10.2 |
0.74 |
-9.36 |
0.72 |
0 |
|
|
410441 |
135083238 |
1 |
BCl2H9C10 |
AB2C9D10 |
-34.32 |
1.59 |
-9.12 |
-0.67 |
0 |
|
|
410442 |
135083239 |
1 |
BSi6C30H63 |
AB6C30D63 |
-99.51 |
2.07 |
-8.16 |
0.56 |
0 |
|
|
410443 |
135083240 |
1 |
BC25H41 |
AB25C41 |
-7.07 |
1.03 |
-9.26 |
0.35 |
0 |
|
|
410444 |
135083241 |
1 |
N3C5H7 |
A3B5C7 |
78.49 |
6.56 |
-8.14 |
-0.79 |
0 |
|
|
410445 |
135083242 |
1 |
H6C7 |
A6B7 |
111.48 |
0.21 |
-9.67 |
-0.5 |
0 |
|
|
410446 |
135083243 |
2 |
H3C4 |
A3B4 |
149.81 |
0.03 |
-9.22 |
-1.14 |
0 |
|
|
410447 |
135083244 |
3 |
H2C3 |
A2B3 |
179.14 |
0.27 |
-9.08 |
-1.05 |
0 |
|
|
410448 |
135083245 |
2 |
ClN2C18H22 |
AB2C18D22 |
81.53 |
33.11 |
-6.19 |
-2.18 |
2 |
|
|
410449 |
135083246 |
4 |
NC9H11 |
AB9C11 |
106.13 |
13.66 |
-5.04 |
-0.82 |
0 |
|
|
410450 |
135083247 |
1 |
OH24C42 |
AB24C42 |
216.34 |
0.67 |
-8.15 |
-1.89 |
0 |
|
|
410451 |
135083248 |
3 |
ClH7C9 |
AB7C9 |
95.47 |
3.45 |
-8.9 |
-0.87 |
0 |
|
|
410452 |
135083249 |
3 |
NH7C10 |
AB7C10 |
220.5 |
7.28 |
-9.36 |
-1.35 |
0 |
|
|
410453 |
135083250 |
1 |
ON2C12H18 |
AB2C12D18 |
-19.38 |
4.41 |
-8.77 |
-0.34 |
0 |
|
|
410455 |
135083252 |
1 |
IOSC9H11 |
ABCD9E11 |
8.65 |
5.4 |
-8.27 |
-0.96 |
0 |
|
|
410456 |
135083253 |
1 |
LiSe2C6H11 |
AB2C6D11 |
4.46 |
4.93 |
-7.22 |
1.01 |
0 |
|
|
410457 |
135083254 |
1 |
N2O2C15H16 |
A2B2C15D16 |
44.11 |
1.01 |
-9.26 |
0.1 |
0 |
|
|
410458 |
135083255 |
1 |
PSN2O2Cl3F3H5C8 |
ABC2D2E3F3G5H8 |
-248.69 |
2.87 |
-10.01 |
-1.98 |
0 |
|
|
410459 |
135083256 |
1 |
PO3N4H31C38 |
AB3C4D31E38 |
131.25 |
18.38 |
-7.39 |
-1.03 |
1 |
|
|
410460 |
135083257 |
1 |
PO3N4H32C38 |
AB3C4D32E38 |
136.02 |
11.14 |
0.0 |
0.0 |
0 |
|
|
410461 |
135083258 |
1 |
N2P2O6H18C19 |
A2B2C6D18E19 |
-290.5 |
0.98 |
-9.24 |
-0.34 |
0 |
|
|
410462 |
135083259 |
1 |
PN3H26C31 |
AB3C26D31 |
150.61 |
10.44 |
-7.09 |
-0.48 |
0 |
|
|
410463 |
135083260 |
1 |
NOPH26C33 |
ABCD26E33 |
96.29 |
5.24 |
-8.62 |
-0.1 |
0 |
|
|
410464 |
135083261 |
1 |
NOPC25H38 |
ABCD25E38 |
-68.75 |
3.86 |
-8.32 |
-0.09 |
0 |
|
|
410465 |
135083262 |
1 |
NPO5C30H40 |
ABC5D30E40 |
-227.88 |
5.24 |
-8.51 |
-0.48 |
0 |
|
|
410466 |
135083264 |
2 |
OPC20H34 |
ABC20D34 |
-151.24 |
4.69 |
-8.13 |
0.32 |
0 |
|
|
410468 |
135083266 |
1 |
P2Si6C32H65 |
A2B6C32D65 |
-282.26 |
3.35 |
0.0 |
0.0 |
0 |
|
|
410469 |
135083267 |
1 |
BPN2S2F4C18H22 |
ABC2D2E4F18G22 |
-319.02 |
12.79 |
-8.41 |
-0.67 |
0 |
|
|
410470 |
135083268 |
1 |
PN2S2C18H21 |
AB2C2D18E21 |
46.59 |
1.21 |
-7.89 |
0.07 |
0 |
|
|
410471 |
135083269 |
1 |
NOPC33H38 |
ABCD33E38 |
2.7 |
4.48 |
-8.51 |
-0.2 |
0 |
|
|
410472 |
135083270 |
1 |
NOPC21H34 |
ABCD21E34 |
-68.04 |
4.17 |
-8.3 |
0.14 |
0 |
|
|
410473 |
135083271 |
1 |
ClOSN2C14H15 |
ABCD2E14F15 |
-11.71 |
6.82 |
-8.25 |
-0.68 |
0 |
|
|
410474 |
135083272 |
1 |
N2S2C15H18 |
A2B2C15D18 |
34.92 |
3.11 |
-8.24 |
-0.41 |
0 |
|
|
410475 |
135083273 |
1 |
NOS2C13H13 |
ABC2D13E13 |
3.76 |
2.16 |
-9.1 |
-0.82 |
0 |
|
|
410476 |
135083274 |
1 |
SN3O3C11H11 |
AB3C3D11E11 |
2.75 |
12.02 |
-8.68 |
-1.28 |
0 |
|
|
410477 |
135083275 |
1 |
ClSN2O2H15C18 |
ABC2D2E15F18 |
-16.49 |
4.94 |
-8.64 |
-1.61 |
0 |
|
|
410478 |
135083276 |
1 |
NSO4H13C14 |
ABC4D13E14 |
-124.88 |
2.76 |
-8.54 |
-0.71 |
0 |
|
|
410479 |
135083277 |
1 |
SN3H9C11 |
AB3C9D11 |
102.68 |
3.08 |
-9.06 |
-0.96 |
0 |
|
|
410480 |
135083278 |
1 |
SN3H7C10 |
AB3C7D10 |
110.75 |
2.3 |
-9.08 |
-0.9 |
0 |
|
|
410481 |
135083279 |
1 |
BrOPN2C40H40 |
ABCD2E40F40 |
112.42 |
7.88 |
-7.59 |
-0.21 |
1 |
|
|
410482 |
135083280 |
1 |
OPN2C40H40 |
ABC2D40E40 |
86.63 |
2.44 |
0.0 |
0.0 |
0 |
|
|
410483 |
135083281 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-23.15 |
6.97 |
-8.29 |
0.03 |
0 |
|
|
410484 |
135083282 |
1 |
N2O2C18H29 |
A2B2C18D29 |
-59.75 |
2.85 |
0.0 |
0.0 |
0 |
|
|
410485 |
135083283 |
1 |
ClNO5C12H14 |
ABC5D12E14 |
-158.22 |
6.18 |
-10.3 |
-1.4 |
0 |
|
|
410488 |
135083286 |
1 |
Br2N2O2C17H22 |
A2B2C2D17E22 |
-67.47 |
5.77 |
-8.72 |
-1.27 |
0 |
|
|
410489 |
135083287 |
1 |
NSO3C22H35 |
ABC3D22E35 |
-142.04 |
6.23 |
-7.98 |
-0.24 |
0 |
|
|
410490 |
135083288 |
1 |
SeO4C10H14 |
AB4C10D14 |
-51.22 |
3.19 |
-9.21 |
-1.41 |
0 |
|
|
410491 |
135083289 |
1 |
PO5H13C20 |
AB5C13D20 |
-112.55 |
3.7 |
-8.87 |
-1.09 |
0 |
|
|
410492 |
135083290 |
1 |
BrFNO2H11C12 |
ABCD2E11F12 |
-71.75 |
4.92 |
-9.73 |
-0.95 |
0 |
|
|
410493 |
135083291 |
1 |
CrO6H14C19 |
AB6C14D19 |
-83.18 |
2.1 |
-7.7 |
-0.71 |
0 |
|
|
410494 |
135083292 |
1 |
CrFSiO5C16H19 |
ABCD5E16F19 |
-49.63 |
2.27 |
-7.22 |
-0.11 |
0 |
|
|
410495 |
135083293 |
1 |
CrFNSiO4C14H14 |
ABCDE4F14G14 |
-207.95 |
3.62 |
-8.99 |
-0.6 |
0 |
|
|
410496 |
135083294 |
1 |
CrNSO8H21C22 |
ABCD8E21F22 |
-116.96 |
5.17 |
-8.26 |
-0.71 |
0 |
|
|
410497 |
135083295 |
1 |
NSO5C19H21 |
ABC5D19E21 |
-136.95 |
4.44 |
-9.45 |
-0.41 |
0 |
|
|
410498 |
135083296 |
1 |
CrO7H14C15 |
AB7C14D15 |
-268.82 |
1.73 |
-8.19 |
-0.31 |
0 |
|
|
410499 |
135083297 |
1 |
CrN2O3C12H12 |
AB2C3D12E12 |
34.53 |
3.59 |
-7.57 |
0.49 |
0 |
|
|
410500 |
135083298 |
1 |
Br2O2N3H5C8 |
A2B2C3D5E8 |
60.52 |
4.35 |
-10.26 |
-2.09 |
0 |
|
|
410501 |
135083299 |
1 |
P2O6C11H22 |
A2B6C11D22 |
-363.14 |
7.04 |
-10.42 |
0.04 |
0 |
|
|
410502 |
135083300 |
1 |
P2O6C9H18 |
A2B6C9D18 |
-341.6 |
0.37 |
-10.02 |
0.2 |
0 |
|
|
410503 |
135083301 |
1 |
P2O6C13H26 |
A2B6C13D26 |
-377.32 |
5.51 |
-9.97 |
0.17 |
0 |
|
|
410506 |
135083304 |
1 |
BiBrOC14H14 |
ABCD14E14 |
36.93 |
3.66 |
-8.79 |
-1.03 |
0 |
|
|
410507 |
135083305 |
1 |
AuPH24C27 |
ABC24D27 |
163.29 |
4.74 |
-7.97 |
-0.84 |
0 |
|
|
410508 |
135083306 |
1 |
AuFPC12H19 |
ABCD12E19 |
-50.14 |
10.83 |
-8.35 |
0.92 |
-4 |
|
|
410509 |
135083307 |
2 |
AuBrC8H18 |
ABC8D18 |
89.16 |
10.82 |
-9.44 |
-1.42 |
-4 |
|
|
410511 |
135083309 |
1 |
AuClP2C13H32 |
ABC2D13E32 |
-13.42 |
28.41 |
-5.51 |
-2.17 |
0 |
|
|
410512 |
135083310 |
1 |
AuPC14H26 |
ABC14D26 |
63.06 |
1.52 |
-8.42 |
-1.38 |
0 |
|
|
410513 |
135083311 |
1 |
AuPC19H36 |
ABC19D36 |
132.16 |
3.32 |
-7.08 |
0.26 |
0 |
|
|
410514 |
135083312 |
1 |
AuPC28H30 |
ABC28D30 |
129.01 |
5.36 |
-8.3 |
-0.45 |
0 |
|
|
410515 |
135083313 |
1 |
AuPH44C51 |
ABC44D51 |
283.45 |
4.06 |
-7.92 |
-0.95 |
0 |
|
|
410516 |
135083314 |
1 |
AuPO8H30C32 |
ABC8D30E32 |
-98.45 |
13.89 |
-6.76 |
-2.45 |
0 |
|
|
410517 |
135083315 |
2 |
O4C7H8 |
A4B7C8 |
-306.29 |
2.32 |
-8.71 |
-0.42 |
0 |
|
|
410519 |
135083317 |
1 |
O10C15H16 |
A10B15C16 |
-380.8 |
4.34 |
-8.96 |
-0.84 |
0 |
|
|
410520 |
135083318 |
1 |
AuOPH18C21 |
ABCD18E21 |
136.28 |
4.3 |
-8.26 |
-0.79 |
0 |
|
|
410521 |
135083319 |
1 |
AuFePH26C29 |
ABCD26E29 |
396.53 |
8.88 |
-7.05 |
-1.1 |
0 |
|
|
410523 |
135083321 |
2 |
AuS2C3H6 |
AB2C3D6 |
99.41 |
5.47 |
-9.44 |
-2.65 |
0 |
|
|
410524 |
135083322 |
1 |
ClSe2N3H4C8 |
AB2C3D4E8 |
135.23 |
5.43 |
-8.91 |
-2.81 |
0 |
|
|
410525 |
135083323 |
1 |
LiSiN2P2C4H11 |
ABC2D2E4F11 |
-124.71 |
7.86 |
-7.61 |
0.73 |
0 |
|
|
410526 |
135083324 |
2 |
OH6C7 |
AB6C7 |
-21.94 |
0.57 |
-8.92 |
-0.23 |
0 |
|
|
410527 |
135083325 |
1 |
NOSC11H15 |
ABCD11E15 |
22.02 |
4.28 |
-8.83 |
-0.1 |
0 |
|
|
410528 |
135083326 |
1 |
BSnC15H27 |
ABC15D27 |
35.41 |
0.87 |
-8.95 |
0.39 |
0 |
|
|
410529 |
135083327 |
1 |
BSnC20H29 |
ABC20D29 |
63.64 |
1.44 |
-8.85 |
0.23 |
0 |
|
|
410530 |
135083328 |
1 |
BSnC20H29 |
ABC20D29 |
68.77 |
1.32 |
-8.98 |
0.29 |
0 |
|
|
410531 |
135083329 |
1 |
SO2H6C7 |
AB2C6D7 |
-33.11 |
2.2 |
-9.29 |
-2.14 |
0 |
|
|
410532 |
135083330 |
1 |
O2C9H12 |
A2B9C12 |
-47.96 |
5.56 |
-9.79 |
-0.24 |
0 |
|
|
410533 |
135083331 |
2 |
OC5H7 |
AB5C7 |
-55.99 |
4.97 |
-9.82 |
-0.22 |
0 |
|
|
410534 |
135083332 |
2 |
OC15H22 |
AB15C22 |
-75.89 |
0.54 |
-9.5 |
-1.0 |
0 |
|
|
410535 |
135083333 |
1 |
N2O2H20C23 |
A2B2C20D23 |
-2.23 |
7.43 |
-9.34 |
-1.71 |
0 |
|
|
410536 |
135083334 |
1 |
N2O3H22C23 |
A2B3C22D23 |
-75.68 |
5.69 |
-9.43 |
-1.82 |
0 |
|
|
410537 |
135083335 |
1 |
N2O2H20C23 |
A2B2C20D23 |
-7.41 |
5.89 |
-9.38 |
-1.77 |
0 |
|
|
410538 |
135083337 |
1 |
O2C13H18 |
A2B13C18 |
-90.47 |
1.77 |
-9.36 |
0.37 |
0 |
|
|
410539 |
135083338 |
1 |
AlO2H31C37 |
AB2C31D37 |
-53.45 |
2.09 |
-8.3 |
-0.57 |
0 |