List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420398 |
135112944 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-45.34 |
5.83 |
-9.07 |
-0.5 |
0 |
|
|
420399 |
135112945 |
1 |
FN2O4C18H25 |
AB2C4D18E25 |
-205.59 |
1.63 |
-8.99 |
-0.67 |
0 |
|
|
420400 |
135112947 |
1 |
N2S2O3C15H24 |
A2B2C3D15E24 |
-108.63 |
4.34 |
-8.87 |
-0.9 |
0 |
|
|
420401 |
135112948 |
1 |
O2N5C14H25 |
A2B5C14D25 |
-84.19 |
5.94 |
-9.68 |
0.18 |
0 |
|
|
420403 |
135112950 |
2 |
O2N3C8H8 |
A2B3C8D8 |
-10.83 |
7.62 |
-9.37 |
-1.44 |
0 |
|
|
420404 |
135112951 |
3 |
NOC7H7 |
ABC7D7 |
-76.82 |
6.19 |
-9.2 |
-0.99 |
0 |
|
|
420405 |
135112952 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-111.11 |
6.91 |
-9.34 |
-0.39 |
0 |
|
|
420406 |
135112959 |
1 |
NSO2C17H23 |
ABC2D17E23 |
-83.13 |
5.0 |
-9.21 |
-0.29 |
0 |
|
|
420407 |
135112960 |
2 |
ON2C7H8 |
AB2C7D8 |
-16.61 |
5.21 |
-9.96 |
-0.58 |
0 |
|
|
420408 |
135112969 |
1 |
ON3C20H27 |
AB3C20D27 |
-11.73 |
4.85 |
-9.15 |
-0.63 |
0 |
|
|
420409 |
135112976 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-74.44 |
5.92 |
-9.33 |
-1.01 |
0 |
|
|
420410 |
135112977 |
1 |
ON6C17H22 |
AB6C17D22 |
34.64 |
2.09 |
-8.94 |
-0.05 |
0 |
|
|
420411 |
135112978 |
1 |
N6C17H24 |
A6B17C24 |
60.58 |
6.32 |
-9.08 |
-0.13 |
0 |
|
|
420412 |
135112981 |
1 |
N5O5C31H39 |
A5B5C31D39 |
-115.4 |
8.2 |
-8.44 |
-0.26 |
0 |
|
|
420414 |
135112994 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-6.84 |
6.82 |
-9.19 |
-0.62 |
0 |
|
|
420415 |
135112995 |
1 |
ClO3N4C14H17 |
AB3C4D14E17 |
-37.15 |
2.87 |
-9.85 |
-0.62 |
0 |
|
|
420416 |
135112996 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-83.17 |
5.85 |
-8.95 |
-0.22 |
0 |
|
|
420417 |
135113020 |
1 |
F2O2N3C22H31 |
A2B2C3D22E31 |
-190.38 |
4.76 |
-9.04 |
-0.08 |
0 |
|
|
420418 |
135113026 |
2 |
NOC9H14 |
ABC9D14 |
-80.56 |
4.07 |
-8.79 |
-0.08 |
0 |
|
|
420419 |
135113035 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-77.73 |
4.88 |
-9.55 |
-0.88 |
0 |
|
|
420420 |
135113044 |
1 |
N4O4C19H20 |
A4B4C19D20 |
-32.06 |
3.57 |
-9.72 |
-1.25 |
0 |
|
|
420421 |
135113052 |
1 |
NO7C17H19 |
AB7C17D19 |
-238.25 |
5.98 |
-8.4 |
-0.74 |
0 |
|
|
420423 |
135113056 |
1 |
ClN2O5C18H25 |
AB2C5D18E25 |
-227.45 |
4.25 |
-8.61 |
-0.23 |
0 |
|
|
420424 |
135113057 |
1 |
OSN4C16H22 |
ABC4D16E22 |
9.62 |
3.84 |
-8.81 |
-0.83 |
0 |
|
|
420425 |
135113058 |
2 |
ON2C12H14 |
AB2C12D14 |
-45.64 |
2.68 |
-9.17 |
-0.72 |
0 |
|
|
420426 |
135113059 |
1 |
N5O7C31H41 |
A5B7C31D41 |
-194.84 |
1.66 |
-8.71 |
-0.52 |
0 |
|
|
420427 |
135113061 |
1 |
N2O2C25H28 |
A2B2C25D28 |
-43.04 |
5.68 |
-9.25 |
-0.94 |
0 |
|
|
420428 |
135113062 |
1 |
O5N7C35H47 |
A5B7C35D47 |
-109.25 |
6.77 |
-8.13 |
-1.24 |
0 |
|
|
420429 |
135113063 |
1 |
O3N5C16H25 |
A3B5C16D25 |
-87.74 |
4.04 |
-8.89 |
-0.49 |
0 |
|
|
420430 |
135113064 |
1 |
SO5N6C27H34 |
AB5C6D27E34 |
-146.38 |
7.99 |
-8.82 |
-1.01 |
0 |
|
|
420431 |
135113065 |
2 |
NOC8H13 |
ABC8D13 |
-97.57 |
4.69 |
-8.42 |
0.96 |
0 |
|
|
420432 |
135113066 |
1 |
SN3O4C18H23 |
AB3C4D18E23 |
-114.23 |
2.39 |
-8.23 |
-0.03 |
0 |
|
|
420433 |
135113068 |
1 |
O3N5C17H17 |
A3B5C17D17 |
-43.27 |
3.64 |
-9.22 |
-1.31 |
0 |
|
|
420434 |
135113099 |
1 |
FN3O6C27H34 |
AB3C6D27E34 |
-257.21 |
3.96 |
-9.14 |
-0.68 |
0 |
|
|
420436 |
135113111 |
1 |
FON3H26C27 |
ABC3D26E27 |
5.7 |
3.0 |
-9.18 |
-0.72 |
0 |
|
|
420437 |
135113112 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-129.11 |
5.15 |
-9.48 |
-0.25 |
0 |
|
|
420438 |
135113113 |
1 |
ON6C22H32 |
AB6C22D32 |
-1.32 |
1.29 |
-8.59 |
-0.04 |
0 |
|
|
420439 |
135113115 |
1 |
OSN5C18H19 |
ABC5D18E19 |
53.77 |
5.23 |
-9.08 |
-0.24 |
0 |
|
|
420440 |
135113144 |
2 |
NOC10H12 |
ABC10D12 |
-36.66 |
4.18 |
-8.81 |
0.03 |
0 |
|
|
420441 |
135113178 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-69.31 |
5.99 |
-9.37 |
-1.02 |
0 |
|
|
420442 |
135113179 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-181.2 |
5.4 |
-9.91 |
-0.44 |
0 |
|
|
420443 |
135113181 |
2 |
NOC11H13 |
ABC11D13 |
-56.55 |
6.17 |
-8.34 |
-0.48 |
0 |
|
|
420444 |
135113182 |
1 |
SN3O5C18H23 |
AB3C5D18E23 |
-157.84 |
5.5 |
-9.02 |
-0.87 |
0 |
|
|
420445 |
135113183 |
1 |
O5N6C28H40 |
A5B6C28D40 |
-182.39 |
8.17 |
-9.05 |
-0.09 |
0 |
|
|
420446 |
135113184 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-51.73 |
3.82 |
-8.81 |
-0.62 |
0 |
|
|
420447 |
135113185 |
1 |
O2N5C14H21 |
A2B5C14D21 |
-37.95 |
2.04 |
-9.33 |
0.11 |
0 |
|
|
420448 |
135113186 |
1 |
O5N6C32H38 |
A5B6C32D38 |
-122.57 |
5.09 |
-8.22 |
-0.23 |
0 |
|
|
420449 |
135113187 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-85.95 |
9.82 |
-8.55 |
-0.49 |
0 |
|
|
420450 |
135113206 |
1 |
ClN4C14H23 |
AB4C14D23 |
5.54 |
3.41 |
-8.88 |
-0.28 |
0 |
|
|
420451 |
135113213 |
1 |
N4C21H28 |
A4B21C28 |
37.18 |
3.21 |
-8.75 |
-0.04 |
0 |
|
|
420452 |
135113214 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-108.12 |
5.78 |
-8.9 |
0.11 |
0 |
|
|
420453 |
135113215 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-180.54 |
5.5 |
-9.36 |
-0.44 |
0 |
|
|
420454 |
135113219 |
1 |
ON2C15H22 |
AB2C15D22 |
-32.5 |
3.08 |
-8.91 |
-0.07 |
0 |
|
|
420455 |
135113220 |
1 |
O3N5C15H21 |
A3B5C15D21 |
-90.91 |
8.39 |
-9.07 |
-0.5 |
0 |
|
|
420456 |
135113221 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-199.85 |
8.93 |
-8.92 |
-1.0 |
0 |
|
|
420457 |
135113222 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-147.19 |
1.47 |
-8.41 |
0.42 |
0 |
|
|
420458 |
135113223 |
2 |
NOC10H16 |
ABC10D16 |
-78.93 |
2.98 |
-8.58 |
0.28 |
0 |
|
|
420459 |
135113233 |
1 |
N3O5C17H17 |
A3B5C17D17 |
-145.59 |
7.79 |
-9.34 |
-1.1 |
0 |
|
|
420460 |
135113255 |
1 |
FN3C22H28 |
AB3C22D28 |
-13.01 |
3.9 |
-8.69 |
-0.73 |
0 |
|
|
420461 |
135113257 |
1 |
FO2N4C10H13 |
AB2C4D10E13 |
-85.22 |
4.74 |
-9.06 |
-0.42 |
0 |
|
|
420462 |
135113275 |
1 |
ClO2N5C18H20 |
AB2C5D18E20 |
26.78 |
3.97 |
-9.36 |
-0.77 |
0 |
|
|
420463 |
135113276 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-153.08 |
2.4 |
-8.31 |
0.14 |
0 |
|
|
420464 |
135113285 |
1 |
SN2O5C17H22 |
AB2C5D17E22 |
-178.78 |
5.06 |
-9.74 |
-1.19 |
0 |
|
|
420465 |
135113286 |
1 |
ON4C20H26 |
AB4C20D26 |
40.26 |
5.2 |
-8.76 |
-0.38 |
0 |
|
|
420466 |
135113287 |
1 |
F2N2O4C17H18 |
A2B2C4D17E18 |
-201.53 |
4.39 |
-9.9 |
-0.69 |
0 |
|
|
420467 |
135113288 |
2 |
ON2H11C12 |
AB2C11D12 |
27.13 |
2.19 |
-9.32 |
-1.0 |
0 |
|
|
420468 |
135113289 |
1 |
NSO6C18H27 |
ABC6D18E27 |
-265.91 |
6.56 |
-9.35 |
-0.75 |
0 |
|
|
420469 |
135113294 |
1 |
NSF2O5C15H19 |
ABC2D5E15F19 |
-301.9 |
4.98 |
-9.72 |
-0.86 |
0 |
|
|
420471 |
135113320 |
1 |
SN2O5C18H26 |
AB2C5D18E26 |
-201.44 |
7.4 |
-9.24 |
-0.59 |
0 |
|
|
420472 |
135113321 |
1 |
N2O5C15H20 |
A2B5C15D20 |
-201.89 |
7.08 |
-9.22 |
-0.82 |
0 |
|
|
420473 |
135113322 |
1 |
SN3O5C16H25 |
AB3C5D16E25 |
-217.5 |
8.15 |
-9.42 |
-0.74 |
0 |
|
|
420474 |
135113323 |
1 |
ClO2N4C18H21 |
AB2C4D18E21 |
-57.71 |
10.68 |
-8.77 |
-0.85 |
0 |
|
|
420475 |
135113327 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-131.96 |
3.85 |
-9.52 |
-0.4 |
0 |
|
|
420476 |
135113328 |
2 |
N3C8H10 |
A3B8C10 |
56.93 |
3.52 |
-8.72 |
-0.22 |
0 |
|
|
420477 |
135113333 |
1 |
ClFSO2N3C20H21 |
ABCD2E3F20G21 |
-83.23 |
3.17 |
-9.66 |
-0.81 |
0 |
|
|
420478 |
135113336 |
1 |
ON2C17H26 |
AB2C17D26 |
-60.08 |
3.22 |
-8.0 |
0.79 |
0 |
|
|
420479 |
135113375 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-51.55 |
3.14 |
-9.46 |
-1.09 |
0 |
|
|
420480 |
135113398 |
1 |
NO3C15H21 |
AB3C15D21 |
-130.33 |
6.11 |
-9.05 |
-0.02 |
0 |
|
|
420482 |
135113400 |
1 |
ClN4C15H25 |
AB4C15D25 |
20.04 |
3.73 |
-8.4 |
0.38 |
0 |
|
|
420483 |
135113401 |
1 |
N5O5C34H45 |
A5B5C34D45 |
-210.0 |
5.42 |
-9.35 |
-0.1 |
0 |
|
|
420484 |
135113402 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-34.46 |
3.59 |
-9.18 |
0.14 |
0 |
|
|
420485 |
135113403 |
1 |
O5N7C37H49 |
A5B7C37D49 |
-174.78 |
7.03 |
-9.34 |
-0.55 |
0 |
|
|
420486 |
135113430 |
1 |
OF2N3C21H23 |
AB2C3D21E23 |
-102.94 |
3.6 |
-9.54 |
-0.42 |
0 |
|
|
420487 |
135113431 |
1 |
O3N5C18H25 |
A3B5C18D25 |
-36.91 |
4.73 |
-9.16 |
-0.47 |
0 |
|
|
420488 |
135113432 |
1 |
ON4C20H24 |
AB4C20D24 |
11.79 |
5.98 |
-8.85 |
-0.23 |
0 |
|
|
420489 |
135113433 |
1 |
O5N7C25H31 |
A5B7C25D31 |
-55.49 |
10.29 |
-8.84 |
-2.2 |
0 |
|
|
420490 |
135113434 |
1 |
N3O6H17C18 |
A3B6C17D18 |
-154.2 |
6.34 |
-9.01 |
-1.2 |
0 |
|
|
420491 |
135113435 |
1 |
ON4C22H30 |
AB4C22D30 |
-0.33 |
7.01 |
-8.64 |
-0.31 |
0 |
|
|
420492 |
135113436 |
1 |
SN3O5C12H19 |
AB3C5D12E19 |
-183.08 |
6.02 |
-9.63 |
-0.57 |
0 |
|
|
420493 |
135113437 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-8.88 |
4.28 |
-8.35 |
-0.27 |
0 |
|
|
420494 |
135113439 |
1 |
ClN3O3C18H26 |
AB3C3D18E26 |
-97.92 |
4.28 |
-8.46 |
-0.07 |
0 |
|
|
420495 |
135113441 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-110.89 |
3.06 |
-8.36 |
0.04 |
0 |
|
|
420496 |
135113483 |
1 |
ClNO4C21H24 |
ABC4D21E24 |
-148.81 |
3.73 |
-8.83 |
-0.16 |
0 |
|
|
420497 |
135113484 |
1 |
SO3N8C29H42 |
AB3C8D29E42 |
-47.08 |
5.08 |
-8.5 |
-0.59 |
0 |
|
|
420498 |
135113485 |
1 |
O3N8C26H34 |
A3B8C26D34 |
-34.59 |
5.75 |
-8.88 |
-0.7 |
0 |
|
|
420500 |
135113491 |
1 |
ClN4C14H23 |
AB4C14D23 |
10.35 |
2.47 |
-8.72 |
-0.24 |
0 |
|
|
420501 |
135113513 |
1 |
N5O6C26H29 |
A5B6C26D29 |
-139.32 |
1.52 |
-9.05 |
-0.5 |
0 |
|
|
420503 |
135113515 |
1 |
ClON4C14H17 |
ABC4D14E17 |
-11.42 |
2.1 |
-9.09 |
-0.56 |
0 |
|
|
420505 |
135113517 |
1 |
O8N9C42H53 |
A8B9C42D53 |
-277.9 |
9.35 |
-8.59 |
-1.44 |
0 |
|
|
420506 |
135113519 |
1 |
FN2O4C19H21 |
AB2C4D19E21 |
-134.63 |
3.49 |
-9.28 |
-1.35 |
0 |