List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
127271 |
50996717 |
1 |
BrFON4H16C17 |
ABCD4E16F17 |
37.88 |
5.09 |
-9.27 |
-1.01 |
0 |
|
|
127272 |
50996832 |
1 |
ON4C23H34 |
AB4C23D34 |
-31.33 |
5.33 |
-8.14 |
0.25 |
0 |
|
|
127273 |
50996833 |
1 |
ON4C22H34 |
AB4C22D34 |
-48.36 |
6.3 |
-8.13 |
0.26 |
0 |
|
|
127274 |
50996834 |
1 |
ON4C24H38 |
AB4C24D38 |
-56.52 |
2.13 |
-8.19 |
0.17 |
0 |
|
|
127275 |
50996835 |
1 |
FON4C26H33 |
ABC4D26E33 |
-55.29 |
4.28 |
-8.09 |
-0.07 |
0 |
|
|
127276 |
50996836 |
1 |
Cl4O4N5H23C27 |
A4B4C5D23E27 |
-106.56 |
7.18 |
-9.11 |
-1.06 |
0 |
|
|
127277 |
50996837 |
1 |
Cl4N4O4H22C27 |
A4B4C4D22E27 |
44.13 |
10.86 |
-8.72 |
-1.7 |
0 |
|
|
127278 |
50996857 |
1 |
NO4F5C31H36 |
AB4C5D31E36 |
-435.56 |
6.2 |
-9.42 |
-0.5 |
0 |
|
|
127279 |
50996858 |
1 |
NO4F5C32H38 |
AB4C5D32E38 |
-435.33 |
2.96 |
-9.31 |
-0.45 |
0 |
|
|
127280 |
50996859 |
1 |
NO4F5C31H34 |
AB4C5D31E34 |
-395.28 |
4.44 |
-9.4 |
-0.53 |
0 |
|
|
127281 |
50996881 |
1 |
P3N4C12O13H19 |
A3B4C12D13E19 |
-717.82 |
1.0 |
-8.66 |
-0.4 |
0 |
|
|
127282 |
50996954 |
1 |
ClSF3N3O5H17C18 |
ABC3D3E5F17G18 |
-319.3 |
7.59 |
-9.35 |
-1.16 |
0 |
|
|
127283 |
50996955 |
1 |
F2S2O3N5C20H21 |
A2B2C3D5E20F21 |
-133.5 |
6.85 |
-8.81 |
-1.29 |
0 |
|
|
127284 |
50997100 |
1 |
F4N4C23H24 |
A4B4C23D24 |
-135.07 |
6.09 |
-8.49 |
-0.96 |
0 |
|
|
127285 |
50997210 |
1 |
SO5N6C40H44 |
AB5C6D40E44 |
-130.16 |
4.86 |
-9.0 |
-0.81 |
0 |
|
|
127286 |
50997280 |
1 |
SO2N3C27H31 |
AB2C3D27E31 |
-21.15 |
2.42 |
-9.24 |
-0.7 |
0 |
|
|
127287 |
50997297 |
1 |
SN3O5C25H31 |
AB3C5D25E31 |
-186.76 |
9.81 |
-9.12 |
-1.1 |
0 |
|
|
127289 |
50997414 |
1 |
OF4N9H23C25 |
AB4C9D23E25 |
-88.22 |
4.27 |
-9.16 |
-1.01 |
0 |
|
|
127290 |
50997498 |
1 |
ON9H19C23 |
AB9C19D23 |
125.98 |
9.91 |
-8.65 |
-1.43 |
0 |
|
|
127291 |
50997499 |
1 |
FON7H18C22 |
ABC7D18E22 |
47.71 |
8.52 |
-9.2 |
-1.27 |
0 |
|
|
127292 |
50997505 |
1 |
N3S3O4C16H27 |
A3B3C4D16E27 |
-135.44 |
3.35 |
-8.98 |
-1.45 |
0 |
|
|
127293 |
50997506 |
1 |
N2O3S3C13H18 |
A2B3C3D13E18 |
-81.37 |
3.29 |
-8.96 |
-1.42 |
0 |
|
|
127294 |
50997507 |
1 |
N2O3C24H26 |
A2B3C24D26 |
-76.93 |
4.4 |
-9.0 |
-0.66 |
0 |
|
|
127295 |
50997508 |
1 |
O2F3N3C24H30 |
A2B3C3D24E30 |
-231.16 |
5.32 |
-8.54 |
0.01 |
0 |
|
|
127296 |
50997522 |
1 |
Cl2O3N4C15H18 |
A2B3C4D15E18 |
-125.56 |
6.19 |
-8.64 |
-0.95 |
0 |
|
|
127297 |
50997523 |
1 |
ClO3N4C15H17 |
AB3C4D15E17 |
-90.72 |
4.88 |
-8.75 |
-0.71 |
0 |
|
|
127298 |
50997524 |
1 |
ClOSN5C11H14 |
ABCD5E11F14 |
12.94 |
7.55 |
-9.17 |
-1.02 |
0 |
|
|
127299 |
50997525 |
1 |
O3N5C14H17 |
A3B5C14D17 |
-4.75 |
9.31 |
-9.21 |
-1.15 |
0 |
|
|
127300 |
50997539 |
1 |
O3F5N6H23C29 |
A3B5C6D23E29 |
-190.42 |
7.78 |
-9.29 |
-1.66 |
0 |
|
|
127301 |
50997540 |
1 |
N4O6C25H28 |
A4B6C25D28 |
-197.16 |
4.77 |
-9.04 |
-0.76 |
0 |
|
|
127302 |
50997541 |
1 |
N5O6C25H27 |
A5B6C25D27 |
-167.66 |
7.49 |
-9.05 |
-0.62 |
0 |
|
|
127303 |
50997619 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-94.2 |
9.93 |
-9.23 |
-1.18 |
0 |
|
|
127304 |
50997724 |
2 |
N3O3C13H14 |
A3B3C13D14 |
-163.43 |
7.96 |
-8.99 |
-0.75 |
0 |
|
|
127305 |
50997725 |
2 |
N2O3C12H13 |
A2B3C12D13 |
-185.91 |
10.47 |
-9.15 |
-0.74 |
0 |
|
|
127306 |
50997726 |
1 |
N5O7C27H29 |
A5B7C27D29 |
-220.49 |
8.38 |
-9.07 |
-0.64 |
0 |
|
|
127307 |
50997727 |
2 |
N3O3C13H15 |
A3B3C13D15 |
-172.26 |
3.18 |
-9.08 |
-0.68 |
0 |
|
|
127308 |
50997779 |
1 |
SO2Cl4N4H14C18 |
AB2C4D4E14F18 |
-39.11 |
4.25 |
-8.98 |
-1.2 |
0 |
|
|
127309 |
50997847 |
1 |
ClFHIBr2C6 |
ABCDE2F6 |
1.61 |
0.74 |
-9.75 |
-1.74 |
0 |
|
|
127310 |
50997848 |
1 |
BrClIOH5C7 |
ABCDE5F7 |
1.75 |
2.36 |
-9.52 |
-1.41 |
0 |
|
|
127311 |
50997897 |
1 |
BrFCl2H2C6 |
ABC2D2E6 |
-35.4 |
1.09 |
-9.98 |
-1.11 |
0 |
|
|
127312 |
50997978 |
1 |
BrFNO2C9H9 |
ABCD2E9F9 |
-117.7 |
2.89 |
-9.05 |
-0.8 |
0 |
|
|
127313 |
50998066 |
1 |
BrFSCl2H2O2C6 |
ABCD2E2F2G6 |
-106.61 |
5.76 |
-10.8 |
-1.97 |
0 |
|
|
127314 |
50998141 |
1 |
FCl2O2H3C7 |
AB2C2D3E7 |
-121.82 |
4.96 |
-10.67 |
-1.61 |
0 |
|
|
127315 |
50998151 |
1 |
BrClF2H4C7 |
ABC2D4E7 |
-77.83 |
2.94 |
-9.82 |
-0.96 |
0 |
|
|
127316 |
50998152 |
1 |
IF2H5C7 |
AB2C5D7 |
-60.94 |
2.5 |
-9.61 |
-1.18 |
0 |
|
|
127317 |
50998153 |
1 |
BrIOH6C7 |
ABCD6E7 |
1.81 |
2.9 |
-9.43 |
-1.18 |
0 |
|
|
127318 |
50998154 |
1 |
ClIO2H8C9 |
ABC2D8E9 |
-57.72 |
1.28 |
-9.76 |
-1.35 |
0 |
|
|
127319 |
50998197 |
1 |
FNBr2O2H4C7 |
ABC2D2E4F7 |
-105.09 |
6.25 |
-9.3 |
-1.46 |
0 |
|
|
127320 |
50998276 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-41.84 |
3.47 |
-8.39 |
-0.06 |
0 |
|
|
127321 |
50998349 |
1 |
ClFSN2O2H10C12 |
ABCD2E2F10G12 |
-90.52 |
8.5 |
-8.91 |
-0.56 |
0 |
|
|
127322 |
50998350 |
1 |
ClFSN2O2H10C12 |
ABCD2E2F10G12 |
-90.02 |
9.41 |
-8.81 |
-0.63 |
0 |
|
|
127323 |
50998351 |
1 |
ClFSN2O2H10C12 |
ABCD2E2F10G12 |
-91.24 |
8.15 |
-8.8 |
-0.62 |
0 |
|
|
127324 |
50998420 |
1 |
ClSF2O3H5C7 |
ABC2D3E5F7 |
-191.19 |
6.98 |
-10.16 |
-1.51 |
0 |
|
|
127325 |
50998421 |
1 |
OSF2H6C7 |
ABC2D6E7 |
-105.97 |
1.6 |
-8.63 |
-0.56 |
0 |
|
|
127327 |
50998599 |
1 |
ClNC10H10 |
ABC10D10 |
27.84 |
5.53 |
-9.72 |
-0.87 |
0 |
|
|
127328 |
50998675 |
1 |
BN2O9C27H33 |
AB2C9D27E33 |
-401.62 |
3.13 |
-8.77 |
-0.27 |
0 |
|
|
127329 |
50998736 |
1 |
ClSF2O2H3C6 |
ABC2D2E3F6 |
-148.32 |
2.23 |
-9.51 |
-1.34 |
0 |
|
|
127330 |
50998737 |
1 |
ClNaSO2C8H8 |
ABCD2E8F8 |
-108.47 |
5.67 |
-7.54 |
0.4 |
0 |
|
|
127331 |
50998747 |
1 |
ClNaSO2H6C7 |
ABCD2E6F7 |
-101.16 |
4.44 |
-7.76 |
-0.02 |
0 |
|
|
127332 |
50998748 |
1 |
ClNaSF3H3O3C7 |
ABCD3E3F3G7 |
-309.33 |
7.8 |
-10.23 |
-1.14 |
0 |
|
|
127333 |
50998758 |
1 |
NaSF2O2H3C6 |
ABC2D2E3F6 |
-184.88 |
4.8 |
-7.75 |
-0.05 |
0 |
|
|
127334 |
50998781 |
1 |
ClNH6C8 |
ABC6D8 |
66.05 |
3.64 |
-8.64 |
-0.26 |
0 |
|
|
127335 |
50998893 |
2 |
ON2C4H9 |
AB2C4D9 |
-79.3 |
5.38 |
-9.41 |
0.82 |
0 |
|
|
127336 |
50998907 |
1 |
ClN2O2F3C14H16 |
AB2C2D3E14F16 |
-238.94 |
5.61 |
-9.07 |
-0.92 |
0 |
|
|
127337 |
50998908 |
1 |
NSO3C9H11 |
ABC3D9E11 |
-101.33 |
4.25 |
-9.97 |
-1.31 |
0 |
|
|
127338 |
50998909 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-12.15 |
2.79 |
-8.81 |
0.06 |
0 |
|
|
127339 |
50998910 |
1 |
O2F3N4C15H21 |
A2B3C4D15E21 |
-210.46 |
4.3 |
-9.53 |
-0.04 |
0 |
|
|
127340 |
50998975 |
1 |
ClNO3C11H14 |
ABC3D11E14 |
-123.84 |
3.35 |
-9.03 |
-0.26 |
0 |
|
|
127341 |
50998976 |
1 |
NOC8H19 |
ABC8D19 |
-85.94 |
3.85 |
-9.59 |
3.12 |
0 |
|
|
127342 |
50998977 |
1 |
NOC8H19 |
ABC8D19 |
-85.23 |
1.44 |
-9.39 |
2.73 |
0 |
|
|
127343 |
50998991 |
1 |
ClNO2C10H14 |
ABC2D10E14 |
-109.06 |
5.4 |
-9.97 |
-0.31 |
0 |
|
|
127344 |
50998992 |
1 |
ClNO2C10H14 |
ABC2D10E14 |
-109.32 |
4.39 |
-9.75 |
-0.03 |
0 |
|
|
127345 |
50999087 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-121.94 |
4.09 |
-8.83 |
-0.52 |
0 |
|
|
127346 |
50999093 |
2 |
NO3C11H15 |
AB3C11D15 |
-254.15 |
3.99 |
-9.24 |
-0.68 |
0 |
|
|
127347 |
50999244 |
1 |
NO5C15H19 |
AB5C15D19 |
-203.73 |
6.52 |
-9.9 |
-0.44 |
0 |
|
|
127348 |
50999341 |
2 |
NOC12H12 |
ABC12D12 |
26.55 |
2.24 |
-9.21 |
-0.55 |
0 |
|
|
127349 |
50999367 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-112.53 |
2.71 |
-8.69 |
0.0 |
0 |
|
|
127350 |
50999403 |
1 |
NF3O3H8C13 |
AB3C3D8E13 |
-225.53 |
4.66 |
-10.03 |
-1.35 |
0 |
|
|
127351 |
50999458 |
1 |
ClON2C4H11 |
ABC2D4E11 |
-71.74 |
1.92 |
-9.91 |
0.62 |
0 |
|
|
127352 |
50999459 |
1 |
ClN2O2C5H7 |
AB2C2D5E7 |
-41.32 |
1.84 |
-9.24 |
-0.61 |
0 |
|
|
127353 |
50999529 |
1 |
O2N3C7H11 |
A2B3C7D11 |
-49.04 |
2.26 |
-8.53 |
0.1 |
0 |
|
|
127354 |
50999617 |
1 |
ON3C11H11 |
AB3C11D11 |
39.76 |
2.71 |
-8.46 |
-0.92 |
0 |
|
|
127355 |
50999625 |
1 |
O2N3C14H17 |
A2B3C14D17 |
36.65 |
7.64 |
-9.82 |
-0.87 |
0 |
|
|
127356 |
50999626 |
1 |
O2F3N3H8C11 |
A2B3C3D8E11 |
-93.21 |
7.15 |
-10.74 |
-1.3 |
0 |
|
|
127357 |
50999627 |
1 |
O2N3C12H13 |
A2B3C12D13 |
47.46 |
8.56 |
-9.68 |
-0.85 |
0 |
|
|
127358 |
50999628 |
1 |
ClN2F3C12H14 |
AB2C3D12E14 |
-143.09 |
4.28 |
-9.08 |
-0.79 |
0 |
|
|
127359 |
50999629 |
3 |
NF2H3C4 |
AB2C3D4 |
-253.78 |
2.57 |
-8.64 |
-1.35 |
0 |
|
|
127360 |
50999688 |
1 |
NO3H17C18 |
AB3C17D18 |
-65.85 |
5.47 |
-8.55 |
-0.66 |
0 |
|
|
127361 |
50999962 |
1 |
N4O5H10C11 |
A4B5C10D11 |
28.56 |
3.2 |
-10.07 |
-1.72 |
0 |
|
|
127362 |
51000042 |
1 |
N3C10H19 |
A3B10C19 |
4.44 |
3.29 |
-8.26 |
1.08 |
0 |
|
|
127363 |
51000246 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-108.92 |
2.64 |
-8.03 |
0.45 |
0 |
|
|
127364 |
51000331 |
1 |
O2N3C7H11 |
A2B3C7D11 |
16.81 |
7.24 |
-10.59 |
-0.94 |
0 |
|
|
127365 |
51000354 |
2 |
NOC6H11 |
ABC6D11 |
-118.26 |
3.67 |
-8.96 |
1.32 |
0 |
|
|
127366 |
51000355 |
1 |
ON2C15H22 |
AB2C15D22 |
-36.56 |
3.31 |
-9.04 |
0.13 |
0 |
|
|
127367 |
51000356 |
1 |
ClNC8H18 |
ABC8D18 |
-47.67 |
3.13 |
-9.3 |
1.91 |
0 |
|
|
127368 |
51000376 |
1 |
ClNSO4H6C8 |
ABCD4E6F8 |
-137.51 |
7.04 |
-10.15 |
-1.64 |
0 |
|
|
127369 |
51000420 |
1 |
ON6C19H26 |
AB6C19D26 |
24.49 |
3.27 |
-8.28 |
-0.49 |
0 |
|
|
127370 |
51000627 |
1 |
S2O6N7C31H39 |
A2B6C7D31E39 |
-171.86 |
9.1 |
-8.72 |
-0.97 |
0 |
|
|
127371 |
51000652 |
1 |
ClN6C22H25 |
AB6C22D25 |
100.55 |
3.7 |
-8.57 |
-0.45 |
0 |
|
|
127372 |
51000653 |
1 |
FN4C24H27 |
AB4C24D27 |
43.05 |
2.98 |
-7.95 |
-0.24 |
0 |