List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
142334 |
53018243 |
1 |
ClO2N4C23H25 |
AB2C4D23E25 |
-17.68 |
5.0 |
-8.75 |
0.04 |
0 |
|
|
142335 |
53018264 |
1 |
FO2N4C21H27 |
AB2C4D21E27 |
-82.63 |
7.22 |
-9.14 |
0.25 |
0 |
|
|
142336 |
53018847 |
2 |
ON3H10C11 |
AB3C10D11 |
80.34 |
7.73 |
-8.91 |
-0.7 |
0 |
|
|
142337 |
53018950 |
1 |
FSO3N5C18H20 |
ABC3D5E18F20 |
-46.9 |
8.44 |
-9.4 |
-0.74 |
0 |
|
|
142338 |
53019163 |
1 |
SO3N5C23H23 |
AB3C5D23E23 |
12.14 |
11.44 |
-9.26 |
-1.05 |
0 |
|
|
142339 |
53019164 |
1 |
SO3N6H18C22 |
AB3C6D18E22 |
61.98 |
6.67 |
-9.25 |
-1.11 |
0 |
|
|
142340 |
53019422 |
1 |
ClSO3N4H17C20 |
ABC3D4E17F20 |
-19.91 |
3.08 |
-8.76 |
-1.06 |
0 |
|
|
142341 |
53019423 |
1 |
BrSO2N3H14C16 |
ABC2D3E14F16 |
-25.51 |
3.24 |
-8.75 |
-1.03 |
0 |
|
|
142342 |
53019424 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-33.61 |
3.63 |
-8.7 |
-1.01 |
0 |
|
|
142343 |
53019425 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-38.6 |
3.09 |
-8.72 |
-0.98 |
0 |
|
|
142344 |
53019426 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-76.54 |
3.13 |
-8.72 |
-1.0 |
0 |
|
|
142345 |
53019427 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-35.03 |
2.92 |
-8.77 |
-1.03 |
0 |
|
|
142346 |
53019428 |
1 |
BrSN3O3H16C17 |
ABC3D3E16F17 |
-65.95 |
2.37 |
-8.78 |
-1.04 |
0 |
|
|
142347 |
53019593 |
1 |
OSN6C17H26 |
ABC6D17E26 |
20.69 |
8.71 |
-8.4 |
-0.12 |
0 |
|
|
142348 |
53019847 |
1 |
FON5C18H20 |
ABC5D18E20 |
-25.06 |
5.68 |
-8.92 |
-0.77 |
0 |
|
|
142349 |
53019848 |
1 |
FON5C20H24 |
ABC5D20E24 |
-32.41 |
2.81 |
-9.13 |
-0.92 |
0 |
|
|
142350 |
53019849 |
1 |
ClON5H20C22 |
ABC5D20E22 |
47.2 |
5.01 |
-8.76 |
-0.65 |
0 |
|
|
142351 |
53019850 |
1 |
ON5C24H25 |
AB5C24D25 |
41.15 |
2.25 |
-8.49 |
-0.72 |
0 |
|
|
142352 |
53020164 |
1 |
FO2N5H16C19 |
AB2C5D16E19 |
-32.09 |
4.5 |
-8.63 |
-1.51 |
0 |
|
|
142353 |
53020169 |
1 |
FO4N5H12C18 |
AB4C5D12E18 |
-78.37 |
3.75 |
-8.66 |
-1.6 |
0 |
|
|
142354 |
53021011 |
1 |
SN3O4C23H23 |
AB3C4D23E23 |
-84.98 |
6.31 |
-8.64 |
-1.16 |
0 |
|
|
142355 |
53021012 |
1 |
SO2N3C23H25 |
AB2C3D23E25 |
-15.94 |
6.06 |
-8.35 |
-0.76 |
0 |
|
|
142356 |
53021013 |
1 |
S2N4O4C21H22 |
A2B4C4D21E22 |
-75.93 |
8.23 |
-8.74 |
-1.28 |
0 |
|
|
142357 |
53021014 |
1 |
SN3O3C23H25 |
AB3C3D23E25 |
-47.95 |
5.9 |
-8.34 |
-0.57 |
0 |
|
|
142358 |
53021015 |
1 |
ClSN3O3C23H24 |
ABC3D3E23F24 |
-58.96 |
5.1 |
-8.43 |
-0.73 |
0 |
|
|
142359 |
53021104 |
1 |
N3O4H21C25 |
A3B4C21D25 |
-33.69 |
6.27 |
-8.69 |
-0.99 |
0 |
|
|
142360 |
53021269 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-6.87 |
2.66 |
-9.54 |
-0.98 |
0 |
|
|
142361 |
53021352 |
1 |
FN3O4H22C26 |
AB3C4D22E26 |
-83.83 |
6.59 |
-8.46 |
-1.05 |
0 |
|
|
142362 |
53021638 |
1 |
O3N6C22H26 |
A3B6C22D26 |
-51.93 |
4.57 |
-8.49 |
-1.03 |
0 |
|
|
142363 |
53021662 |
1 |
FO2N6C27H27 |
AB2C6D27E27 |
-36.94 |
5.91 |
-8.65 |
-1.12 |
0 |
|
|
142364 |
53021707 |
2 |
ON3C14H15 |
AB3C14D15 |
-5.09 |
4.37 |
-8.71 |
-1.12 |
0 |
|
|
142365 |
53021708 |
1 |
O2N6C27H28 |
A2B6C27D28 |
9.2 |
2.91 |
-8.69 |
-1.11 |
0 |
|
|
142366 |
53021714 |
1 |
O3N6C28H30 |
A3B6C28D30 |
-31.2 |
3.04 |
-8.33 |
-1.08 |
0 |
|
|
142367 |
53022197 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-54.8 |
6.84 |
-8.61 |
-0.56 |
0 |
|
|
142368 |
53022365 |
1 |
N4O5C25H26 |
A4B5C25D26 |
-83.3 |
3.01 |
-8.36 |
-0.59 |
0 |
|
|
142369 |
53022366 |
1 |
SO2N4H20C21 |
AB2C4D20E21 |
21.33 |
0.98 |
-8.78 |
-0.53 |
0 |
|
|
142370 |
53022583 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-29.3 |
6.16 |
-9.06 |
-0.59 |
0 |
|
|
142371 |
53022976 |
1 |
O4N5C19H19 |
A4B5C19D19 |
-116.38 |
5.23 |
-8.79 |
-0.94 |
0 |
|
|
142372 |
53022977 |
1 |
BrN3O5H20C23 |
AB3C5D20E23 |
-133.56 |
5.92 |
-8.72 |
-0.84 |
0 |
|
|
142373 |
53023038 |
1 |
O3N4H22C23 |
A3B4C22D23 |
0.57 |
6.18 |
-8.53 |
-1.95 |
0 |
|
|
142374 |
53023039 |
1 |
O3N4H22C23 |
A3B4C22D23 |
-1.38 |
6.29 |
-8.53 |
-1.96 |
0 |
|
|
142375 |
53023461 |
1 |
O3N5C25H29 |
A3B5C25D29 |
-43.04 |
1.56 |
-8.74 |
-1.05 |
0 |
|
|
142376 |
53024288 |
1 |
SF2N2O5H20C22 |
AB2C2D5E20F22 |
-251.58 |
3.74 |
-9.34 |
-1.0 |
0 |
|
|
142377 |
53024409 |
1 |
O2N4C23H24 |
A2B4C23D24 |
-8.85 |
5.73 |
-8.82 |
-0.75 |
0 |
|
|
142378 |
53024541 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-136.68 |
6.71 |
-9.21 |
-0.95 |
0 |
|
|
142379 |
53025217 |
1 |
FON4C23H23 |
ABC4D23E23 |
-3.73 |
4.11 |
-8.43 |
-0.4 |
0 |
|
|
142380 |
53025330 |
1 |
FON4C24H25 |
ABC4D24E25 |
-19.42 |
5.17 |
-8.76 |
-0.73 |
0 |
|
|
142381 |
53025331 |
1 |
FON4C26H29 |
ABC4D26E29 |
-16.99 |
4.08 |
-8.61 |
-0.71 |
0 |
|
|
142382 |
53025439 |
1 |
SN3O4C25H31 |
AB3C4D25E31 |
-147.25 |
8.05 |
-8.76 |
-0.67 |
0 |
|
|
142383 |
53026154 |
1 |
ClFO3N4H20C26 |
ABC3D4E20F26 |
-70.38 |
5.11 |
-8.76 |
-1.31 |
0 |
|
|
142384 |
53026155 |
1 |
FO3N4H25C28 |
AB3C4D25E28 |
-78.99 |
6.49 |
-8.59 |
-1.18 |
0 |
|
|
142385 |
53026156 |
1 |
F2O3N4H22C27 |
A2B3C4D22E27 |
-111.96 |
4.78 |
-8.6 |
-1.16 |
0 |
|
|
142386 |
53026617 |
1 |
O2F3N3H22C27 |
A2B3C3D22E27 |
-144.29 |
4.49 |
-8.43 |
-0.96 |
0 |
|
|
142387 |
53027649 |
1 |
SN3O7C21H27 |
AB3C7D21E27 |
-269.98 |
8.35 |
-9.26 |
-0.83 |
0 |
|
|
142388 |
53027650 |
1 |
SN3O7C22H29 |
AB3C7D22E29 |
-287.15 |
4.5 |
-9.27 |
-0.85 |
0 |
|
|
142389 |
53027758 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-144.37 |
4.86 |
-8.59 |
-1.02 |
0 |
|
|
142390 |
53028116 |
1 |
BrO2N5C24H24 |
AB2C5D24E24 |
-6.98 |
5.09 |
-8.67 |
-1.19 |
0 |
|
|
142391 |
53028117 |
1 |
ClN4O4H17C20 |
AB4C4D17E20 |
-82.32 |
5.67 |
-8.52 |
-1.11 |
0 |
|
|
142392 |
53028118 |
1 |
ClFN4O4H16C20 |
ABC4D4E16F20 |
-128.89 |
6.84 |
-8.66 |
-1.19 |
0 |
|
|
142393 |
53028546 |
1 |
O4N5H21C25 |
A4B5C21D25 |
-12.32 |
1.77 |
-8.49 |
-1.09 |
0 |
|
|
142394 |
53029034 |
1 |
ClN3O3H20C24 |
AB3C3D20E24 |
-43.09 |
6.55 |
-8.87 |
-0.84 |
0 |
|
|
142395 |
53029131 |
1 |
O3F4N4C24H24 |
A3B4C4D24E24 |
-274.82 |
8.21 |
-9.12 |
-0.47 |
0 |
|
|
142396 |
53029132 |
1 |
FN4O5C26H29 |
AB4C5D26E29 |
-216.1 |
6.29 |
-9.16 |
-0.78 |
0 |
|
|
142397 |
53029133 |
1 |
ClN2O3H17C22 |
AB2C3D17E22 |
-49.65 |
3.37 |
-8.98 |
-0.94 |
0 |
|
|
142398 |
53029134 |
1 |
N3O3H19C22 |
A3B3C19D22 |
-33.2 |
3.89 |
-8.93 |
-0.66 |
0 |
|
|
142399 |
53029715 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-48.84 |
5.01 |
-9.72 |
-0.95 |
0 |
|
|
142400 |
53029716 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-59.19 |
5.18 |
-9.39 |
-0.85 |
0 |
|
|
142401 |
53029717 |
1 |
FSN3O3C20H20 |
ABC3D3E20F20 |
-96.95 |
4.7 |
-9.71 |
-1.13 |
0 |
|
|
142402 |
53029718 |
1 |
SN3O4C21H23 |
AB3C4D21E23 |
-90.79 |
6.67 |
-9.04 |
-0.82 |
0 |
|
|
142403 |
53029719 |
1 |
ClSN3O3C20H20 |
ABC3D3E20F20 |
-58.62 |
4.68 |
-9.66 |
-1.2 |
0 |
|
|
142404 |
53029720 |
1 |
SN3O3C19H19 |
AB3C3D19E19 |
-41.47 |
6.03 |
-9.7 |
-0.92 |
0 |
|
|
142405 |
53029721 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-51.94 |
6.28 |
-9.35 |
-0.8 |
0 |
|
|
142406 |
53029788 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-65.76 |
6.02 |
-9.32 |
-0.75 |
0 |
|
|
142407 |
53029789 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-69.67 |
6.04 |
-9.3 |
-0.75 |
0 |
|
|
142408 |
53029790 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-70.85 |
6.85 |
-9.39 |
-0.84 |
0 |
|
|
142409 |
53029791 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-73.32 |
6.46 |
-9.38 |
-0.83 |
0 |
|
|
142410 |
53030236 |
1 |
N4O4C25H26 |
A4B4C25D26 |
-101.46 |
4.63 |
-8.16 |
-0.71 |
0 |
|
|
142411 |
53030555 |
1 |
FO3N4C25H25 |
AB3C4D25E25 |
-80.69 |
3.26 |
-8.49 |
-0.35 |
0 |
|
|
142412 |
53030585 |
1 |
FN4O5C26H27 |
AB4C5D26E27 |
-145.65 |
5.7 |
-8.52 |
-0.62 |
0 |
|
|
142413 |
53031518 |
1 |
N3O3C28H31 |
A3B3C28D31 |
-84.63 |
3.13 |
-9.4 |
-0.63 |
0 |
|
|
142414 |
53031620 |
1 |
N3O4C29H29 |
A3B4C29D29 |
-97.18 |
5.97 |
-8.91 |
-0.65 |
0 |
|
|
142415 |
53031621 |
1 |
O3N5C27H33 |
A3B5C27D33 |
-70.77 |
4.33 |
-8.82 |
-0.74 |
0 |
|
|
142416 |
53031622 |
1 |
O3N4C29H36 |
A3B4C29D36 |
-91.28 |
3.99 |
-8.84 |
-0.58 |
0 |
|
|
142417 |
53031623 |
1 |
SN3O3H27C28 |
AB3C3D27E28 |
-49.25 |
5.56 |
-8.42 |
-0.71 |
0 |
|
|
142418 |
53031624 |
1 |
N3O4C29H29 |
A3B4C29D29 |
-95.99 |
7.43 |
-8.91 |
-0.65 |
0 |
|
|
142419 |
53031625 |
1 |
O3N4C29H30 |
A3B4C29D30 |
-49.98 |
5.01 |
-8.34 |
-0.61 |
0 |
|
|
142420 |
53031757 |
1 |
ClO3N5C24H24 |
AB3C5D24E24 |
-0.5 |
4.58 |
-9.14 |
-0.78 |
0 |
|
|
142421 |
53031758 |
1 |
FO2N5H22C23 |
AB2C5D22E23 |
-2.2 |
4.64 |
-9.09 |
-0.74 |
0 |
|
|
142422 |
53031859 |
1 |
FO3N5H20C22 |
AB3C5D20E22 |
-29.93 |
3.94 |
-9.16 |
-1.2 |
0 |
|
|
142423 |
53032060 |
1 |
O3N4H16C20 |
A3B4C16D20 |
14.66 |
6.07 |
-8.75 |
-1.18 |
0 |
|
|
142424 |
53032450 |
1 |
NF2S2O3H15C20 |
AB2C2D3E15F20 |
-150.32 |
7.54 |
-9.06 |
-1.07 |
0 |
|
|
142425 |
53032451 |
1 |
FNS2O3H16C20 |
ABC2D3E16F20 |
-103.52 |
7.79 |
-8.89 |
-0.94 |
0 |
|
|
142426 |
53032511 |
1 |
OSN2C18H18 |
ABC2D18E18 |
24.82 |
6.06 |
-8.24 |
-0.22 |
0 |
|
|
142427 |
53032719 |
1 |
ON4H16C19 |
AB4C16D19 |
104.42 |
4.09 |
-8.94 |
-0.93 |
0 |
|
|
142428 |
53033205 |
1 |
N2S2O3C21H22 |
A2B2C3D21E22 |
-52.22 |
9.25 |
-8.76 |
-0.94 |
0 |
|
|
142429 |
53033206 |
1 |
F2N2S2O3H18C20 |
A2B2C2D3E18F20 |
-138.4 |
8.22 |
-8.85 |
-1.04 |
0 |
|
|
142430 |
53033207 |
1 |
ClN2S2O3C21H21 |
AB2C2D3E21F21 |
-61.67 |
7.79 |
-8.78 |
-0.93 |
0 |
|
|
142431 |
53033303 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-105.38 |
3.53 |
-8.22 |
-0.43 |
0 |
|
|
142432 |
53033333 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-66.3 |
4.43 |
-8.78 |
-0.56 |
0 |
|
|
142433 |
53033334 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-38.63 |
2.08 |
-8.93 |
-0.33 |
0 |