List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
217274 |
85087542 |
1 |
O3C23H24 |
A3B23C24 |
-70.38 |
1.56 |
-8.63 |
-0.62 |
0 |
|
|
217275 |
85087543 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-175.29 |
2.52 |
-9.59 |
-0.06 |
0 |
|
|
217276 |
85087544 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-83.87 |
5.88 |
-8.61 |
0.01 |
0 |
|
|
217277 |
85087545 |
1 |
O4C21H32 |
A4B21C32 |
-155.47 |
2.62 |
-9.36 |
0.78 |
0 |
|
|
217278 |
85087546 |
1 |
O4C21H32 |
A4B21C32 |
-218.93 |
2.93 |
-8.98 |
0.28 |
0 |
|
|
217279 |
85087547 |
1 |
SiO4C19H28 |
AB4C19D28 |
-175.21 |
5.89 |
-9.27 |
-0.04 |
0 |
|
|
217280 |
85087548 |
1 |
O3C22H36 |
A3B22C36 |
-197.35 |
1.51 |
-10.08 |
0.85 |
0 |
|
|
217281 |
85087549 |
1 |
SSiO2C19H28 |
ABC2D19E28 |
-100.41 |
6.9 |
-9.65 |
-0.22 |
0 |
|
|
217282 |
85087550 |
1 |
SiO2C21H36 |
AB2C21D36 |
-105.63 |
3.29 |
-8.73 |
0.15 |
0 |
|
|
217283 |
85087551 |
1 |
SiO2C21H36 |
AB2C21D36 |
-165.57 |
4.6 |
-9.03 |
0.06 |
0 |
|
|
217284 |
85087552 |
1 |
ClFN2O2C18H18 |
ABC2D2E18F18 |
-77.76 |
5.24 |
-8.66 |
-0.33 |
0 |
|
|
217285 |
85087553 |
1 |
ClPSiO3C15H26 |
ABCD3E15F26 |
-245.08 |
3.62 |
-9.3 |
0.31 |
0 |
|
|
217286 |
85087554 |
1 |
INO2C13H20 |
ABC2D13E20 |
-81.24 |
5.28 |
-9.52 |
-0.72 |
0 |
|
|
217287 |
85087555 |
1 |
NO7C17H19 |
AB7C17D19 |
-178.19 |
7.17 |
-8.64 |
-1.16 |
0 |
|
|
217289 |
85087557 |
1 |
N5O5C15H19 |
A5B5C15D19 |
-168.23 |
4.65 |
-8.91 |
-0.33 |
0 |
|
|
217290 |
85087558 |
1 |
NO4H19C21 |
AB4C19D21 |
-4.37 |
1.23 |
-8.62 |
-0.7 |
0 |
|
|
217291 |
85087559 |
1 |
O2N5C19H19 |
A2B5C19D19 |
35.47 |
8.34 |
-8.96 |
-1.3 |
0 |
|
|
217292 |
85087563 |
1 |
NO3C21H35 |
AB3C21D35 |
-155.32 |
3.29 |
-9.66 |
0.85 |
0 |
|
|
217293 |
85087564 |
1 |
ClNO4C18H20 |
ABC4D18E20 |
-109.69 |
5.81 |
-8.76 |
-1.42 |
0 |
|
|
217294 |
85087568 |
1 |
O5H18C21 |
A5B18C21 |
-111.17 |
2.34 |
-8.74 |
-0.6 |
0 |
|
|
217295 |
85087574 |
1 |
O6C19H26 |
A6B19C26 |
-224.89 |
3.14 |
-9.91 |
-0.22 |
0 |
|
|
217296 |
85087575 |
1 |
O6C19H26 |
A6B19C26 |
-235.05 |
2.24 |
-9.42 |
-0.42 |
0 |
|
|
217297 |
85087576 |
1 |
O6C19H26 |
A6B19C26 |
-234.03 |
3.5 |
-9.14 |
0.08 |
0 |
|
|
217298 |
85087577 |
1 |
FNO2C22H22 |
ABC2D22E22 |
-91.35 |
2.78 |
-9.08 |
-0.72 |
0 |
|
|
217299 |
85087579 |
1 |
SO7C15H26 |
AB7C15D26 |
-326.84 |
2.68 |
-9.75 |
-0.13 |
0 |
|
|
217300 |
85087580 |
5 |
OC4H6 |
AB4C6 |
-248.74 |
8.26 |
-9.94 |
-0.26 |
0 |
|
|
217301 |
85087581 |
1 |
SN2O3C18H26 |
AB2C3D18E26 |
-115.92 |
5.92 |
-8.71 |
0.33 |
0 |
|
|
217302 |
85087582 |
1 |
SO3C20H30 |
AB3C20D30 |
-160.15 |
5.68 |
-8.85 |
0.36 |
0 |
|
|
217303 |
85087583 |
1 |
O3C22H38 |
A3B22C38 |
-198.8 |
4.51 |
-9.48 |
0.98 |
0 |
|
|
217304 |
85087584 |
1 |
SiO3C20H34 |
AB3C20D34 |
-177.09 |
2.79 |
-8.65 |
-0.01 |
0 |
|
|
217305 |
85087585 |
1 |
SiO3C20H34 |
AB3C20D34 |
-203.62 |
1.96 |
-8.96 |
0.2 |
0 |
|
|
217306 |
85087588 |
1 |
BrClNOH13C16 |
ABCDE13F16 |
-3.95 |
3.95 |
-9.31 |
-1.01 |
0 |
|
|
217307 |
85087592 |
1 |
NO8C16H17 |
AB8C16D17 |
-246.32 |
4.06 |
-10.91 |
-1.98 |
0 |
|
|
217308 |
85087594 |
1 |
NO6H13C19 |
AB6C13D19 |
-154.56 |
6.4 |
-9.72 |
-1.99 |
0 |
|
|
217309 |
85087596 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-206.62 |
4.42 |
-9.15 |
-0.16 |
0 |
|
|
217310 |
85087597 |
1 |
NO2C24H25 |
AB2C24D25 |
-13.69 |
4.51 |
-9.2 |
-0.29 |
0 |
|
|
217311 |
85087599 |
1 |
NO3C22H25 |
AB3C22D25 |
-77.17 |
4.9 |
-9.48 |
-0.24 |
0 |
|
|
217312 |
85087601 |
1 |
NO2C23H29 |
AB2C23D29 |
-65.94 |
1.4 |
-8.82 |
-1.3 |
0 |
|
|
217313 |
85087602 |
1 |
NS2O3C17H21 |
AB2C3D17E21 |
-64.93 |
3.09 |
-8.39 |
-0.42 |
0 |
|
|
217314 |
85087603 |
1 |
NOSC22H25 |
ABCD22E25 |
22.81 |
2.02 |
-8.55 |
-0.42 |
0 |
|
|
217315 |
85087604 |
1 |
IO5C11H13 |
AB5C11D13 |
-173.06 |
5.35 |
-9.98 |
-1.42 |
0 |
|
|
217316 |
85087605 |
1 |
BrOSN3C14H14 |
ABCD3E14F14 |
19.33 |
1.88 |
-9.38 |
-1.3 |
0 |
|
|
217317 |
85087606 |
1 |
BrNOSC16H22 |
ABCDE16F22 |
-52.51 |
8.16 |
-8.85 |
-0.44 |
0 |
|
|
217318 |
85087610 |
1 |
OF2N4H18C19 |
AB2C4D18E19 |
-55.41 |
2.84 |
-9.4 |
-0.54 |
0 |
|
|
217319 |
85087614 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-87.31 |
3.35 |
-9.49 |
-0.19 |
0 |
|
|
217320 |
85087615 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-84.64 |
1.83 |
-8.65 |
-0.09 |
0 |
|
|
217321 |
85087616 |
1 |
O3C23H28 |
A3B23C28 |
-61.09 |
4.25 |
-8.69 |
-0.95 |
0 |
|
|
217322 |
85087617 |
2 |
OC12H16 |
AB12C16 |
-90.85 |
6.21 |
-8.98 |
-0.18 |
0 |
|
|
217323 |
85087619 |
1 |
BrNCl2O3H8C11 |
ABC2D3E8F11 |
-93.92 |
3.88 |
-9.73 |
-1.4 |
0 |
|
|
217324 |
85087620 |
1 |
ION5C11H12 |
ABC5D11E12 |
95.89 |
4.36 |
-9.49 |
-1.01 |
0 |