List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
446348 |
135274279 |
1 |
O3C10H14 |
A3B10C14 |
-110.07 |
4.52 |
-9.27 |
-0.69 |
0 |
|
|
446349 |
135274280 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-74.23 |
2.73 |
-9.28 |
0.33 |
0 |
|
|
446350 |
135274283 |
1 |
OPN2C8H9 |
ABC2D8E9 |
32.78 |
5.65 |
-8.63 |
-0.2 |
0 |
|
|
446351 |
135274285 |
1 |
ClNOH14C22 |
ABCD14E22 |
47.49 |
1.62 |
-8.21 |
-0.98 |
0 |
|
|
446352 |
135274286 |
1 |
BrNOH8C17 |
ABCD8E17 |
63.48 |
3.77 |
-8.83 |
-1.47 |
0 |
|
|
446353 |
135274303 |
1 |
O3N4C20H20 |
A3B4C20D20 |
24.21 |
4.23 |
-9.78 |
-1.04 |
0 |
|
|
446354 |
135274307 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-28.63 |
2.86 |
-8.54 |
-0.1 |
0 |
|
|
446355 |
135274339 |
1 |
BrN2C9H15 |
AB2C9D15 |
12.19 |
4.03 |
-9.17 |
0.19 |
0 |
|
|
446356 |
135274352 |
1 |
ClFN4C12H12 |
ABC4D12E12 |
45.49 |
3.98 |
-9.5 |
-1.08 |
0 |
|
|
446357 |
135274354 |
1 |
PSC6H14 |
ABC6D14 |
-33.63 |
4.42 |
0.0 |
0.0 |
0 |
|
|
446358 |
135274361 |
2 |
OC5H7 |
AB5C7 |
-74.48 |
5.06 |
-9.67 |
0.72 |
0 |
|
|
446359 |
135274365 |
1 |
PO5C11H19 |
AB5C11D19 |
-242.16 |
5.41 |
-9.71 |
0.97 |
0 |
|
|
446360 |
135274371 |
1 |
O4N5C13H13 |
A4B5C13D13 |
-51.71 |
2.51 |
-9.3 |
-1.03 |
0 |
|
|
446361 |
135274379 |
1 |
NC14H31 |
AB14C31 |
-55.83 |
1.06 |
-8.34 |
2.83 |
0 |
|
|
446362 |
135274397 |
2 |
SN2O6C10H15 |
AB2C6D10E15 |
-552.94 |
13.28 |
-9.8 |
-1.92 |
0 |
|
|
446363 |
135274400 |
1 |
NSO5C16H35 |
ABC5D16E35 |
-266.1 |
6.11 |
-9.02 |
1.23 |
0 |
|
|
446364 |
135274414 |
2 |
NC9H20 |
AB9C20 |
-65.34 |
0.89 |
-7.95 |
2.59 |
0 |
|
|
446365 |
135274426 |
2 |
SO2C11H21 |
AB2C11D21 |
-259.07 |
4.24 |
-9.31 |
-1.26 |
0 |
|
|
446366 |
135274441 |
2 |
ClNC9H15 |
ABC9D15 |
-37.68 |
4.35 |
-8.14 |
-0.05 |
0 |
|
|
446367 |
135274444 |
2 |
NC11H20 |
AB11C20 |
-43.06 |
0.25 |
-7.86 |
0.85 |
0 |
|
|
446368 |
135274445 |
1 |
O5C18H38 |
A5B18C38 |
-283.81 |
3.24 |
-9.27 |
1.74 |
0 |
|
|
446369 |
135274454 |
1 |
O5C22H46 |
A5B22C46 |
-301.59 |
1.13 |
-9.24 |
1.59 |
0 |
|
|
446370 |
135274480 |
2 |
O2C8H15 |
A2B8C15 |
-211.89 |
2.07 |
-9.38 |
0.17 |
0 |
|
|
446371 |
135274486 |
2 |
O3C14H24 |
A3B14C24 |
-312.61 |
3.59 |
-9.02 |
0.37 |
0 |
|
|
446372 |
135274495 |
2 |
NO3C13H24 |
AB3C13D24 |
-290.05 |
5.31 |
-8.53 |
0.21 |
0 |
|
|
446373 |
135274516 |
2 |
SC9H19 |
AB9C19 |
-82.86 |
0.79 |
-8.11 |
-0.78 |
0 |
|
|
446374 |
135274527 |
1 |
N8O9C58H118 |
A8B9C58D118 |
-572.77 |
9.15 |
-8.62 |
0.39 |
0 |
|
|
446376 |
135274539 |
1 |
O2C13H16 |
A2B13C16 |
-67.68 |
2.93 |
-9.7 |
0.25 |
0 |
|
|
446377 |
135274546 |
1 |
N4O5C54H114 |
A4B5C54D114 |
-387.76 |
4.8 |
-8.34 |
1.52 |
0 |
|
|
446378 |
135274553 |
1 |
ON2C24H52 |
AB2C24D52 |
-126.15 |
0.18 |
-8.56 |
1.96 |
0 |
|
|
446379 |
135274556 |
1 |
O2C7H14 |
A2B7C14 |
-77.05 |
2.57 |
-9.89 |
1.61 |
0 |
|
|
446380 |
135274557 |
2 |
OC7H9 |
AB7C9 |
-72.17 |
3.03 |
-9.61 |
0.3 |
0 |
|
|
446382 |
135274568 |
1 |
O6H16C23 |
A6B16C23 |
-165.98 |
4.88 |
-9.47 |
-1.45 |
0 |
|
|
446383 |
135274578 |
1 |
N3O13C33H57 |
A3B13C33D57 |
-625.77 |
9.41 |
-9.52 |
-0.23 |
0 |
|
|
446384 |
135274584 |
1 |
O6C23H46 |
A6B23C46 |
-329.24 |
3.01 |
-9.25 |
1.55 |
0 |
|
|
446385 |
135274586 |
1 |
N5C26H51 |
A5B26C51 |
-60.74 |
2.28 |
-8.57 |
0.61 |
0 |
|
|
446386 |
135274596 |
1 |
F8O21C46H86 |
A8B21C46D86 |
-728.07 |
3.52 |
-9.61 |
-0.54 |
0 |
|
|
446387 |
135274597 |
1 |
F8O21C46H86 |
A8B21C46D86 |
-735.12 |
2.64 |
-9.61 |
-0.44 |
0 |
|
|
446388 |
135274598 |
2 |
NC12H26 |
AB12C26 |
-93.07 |
1.82 |
-8.31 |
2.6 |
0 |
|
|
446389 |
135274601 |
2 |
F4O11C24H45 |
A4B11C24D45 |
-768.82 |
11.23 |
-9.25 |
-0.52 |
0 |
|
|
446390 |
135274623 |
1 |
S4O7C17H36 |
A4B7C17D36 |
-365.08 |
4.27 |
-8.84 |
-0.25 |
0 |
|
|
446391 |
135274651 |
1 |
O13C22H46 |
A13B22C46 |
-641.7 |
7.2 |
-10.02 |
0.46 |
0 |
|
|
446392 |
135274653 |
1 |
ON2C24H50 |
AB2C24D50 |
-132.12 |
3.07 |
-8.94 |
0.61 |
0 |
|
|
446393 |
135274654 |
1 |
ON2C24H50 |
AB2C24D50 |
-152.0 |
3.48 |
-9.1 |
1.35 |
0 |
|
|
446394 |
135274655 |
1 |
N6F8O12C37H74 |
A6B8C12D37E74 |
-306.09 |
9.06 |
-8.46 |
-0.57 |
0 |
|
|
446395 |
135274656 |
2 |
NSO3C11H16 |
ABC3D11E16 |
-215.74 |
8.74 |
-8.54 |
-0.66 |
0 |
|
|
446396 |
135274657 |
1 |
N6O20C45H98 |
A6B20C45D98 |
-623.63 |
3.13 |
-8.54 |
0.04 |
0 |
|
|
446397 |
135274667 |
1 |
F8N8S8O33C58H94 |
A8B8C8D33E58F94 |
-989.85 |
6.62 |
-9.04 |
-1.15 |
0 |
|
|
446398 |
135274674 |
1 |
F8N8S8O33C58H96 |
A8B8C8D33E58F96 |
-947.23 |
8.18 |
-8.93 |
-0.81 |
0 |
|
|
446399 |
135274687 |
1 |
OS2C14H28 |
AB2C14D28 |
-99.67 |
5.35 |
-8.43 |
0.55 |
0 |