List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
446400 |
135274688 |
1 |
O6C23H48 |
A6B23C48 |
-336.85 |
1.94 |
-9.4 |
1.5 |
0 |
|
|
446401 |
135274704 |
1 |
S4F8N28O44C113H200 |
A4B8C28D44E113F200 |
-1827.1 |
23.23 |
-8.85 |
-1.88 |
0 |
|
|
446402 |
135274712 |
2 |
F4N17O18C41H60 |
A4B17C18D41E60 |
-939.12 |
5.52 |
-9.07 |
-2.21 |
0 |
|
|
446403 |
135274716 |
1 |
N3H35C48 |
A3B35C48 |
185.36 |
4.1 |
-8.05 |
-1.17 |
0 |
|
|
446404 |
135274726 |
2 |
N3H13C19 |
A3B13C19 |
212.23 |
4.91 |
-8.76 |
-1.31 |
0 |
|
|
446405 |
135274731 |
4 |
N5O9C22H41 |
A5B9C22D41 |
-1478.99 |
10.57 |
-8.77 |
-0.92 |
0 |
|
|
446406 |
135274739 |
2 |
N2O18C26H47 |
A2B18C26D47 |
-1300.13 |
8.12 |
-8.71 |
-0.44 |
0 |
|
|
446407 |
135274740 |
2 |
N2O6C14H31 |
A2B6C14D31 |
-564.2 |
5.35 |
-9.18 |
0.86 |
0 |
|
|
446408 |
135274745 |
1 |
F8N12O40C69H120 |
A8B12C40D69E120 |
-1515.32 |
11.75 |
-8.05 |
-1.61 |
0 |
|
|
446409 |
135274748 |
1 |
N4O16C29H56 |
A4B16C29D56 |
-754.59 |
5.85 |
-9.73 |
0.47 |
0 |
|
|
446410 |
135274768 |
1 |
N8O60C97H124 |
A8B60C97D124 |
-2310.0 |
6.91 |
-8.65 |
-1.0 |
0 |
|
|
446411 |
135274786 |
1 |
N2O2C9H12 |
A2B2C9D12 |
-37.09 |
5.55 |
-9.2 |
-0.12 |
0 |
|
|
446412 |
135274789 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-70.07 |
5.32 |
-9.14 |
-0.05 |
0 |
|
|
446413 |
135274791 |
1 |
NO3C10H17 |
AB3C10D17 |
-163.43 |
2.94 |
-9.47 |
0.02 |
0 |
|
|
446414 |
135274798 |
2 |
N2H15C25 |
A2B15C25 |
268.92 |
0.39 |
-8.36 |
-1.1 |
0 |
|
|
446415 |
135274804 |
1 |
BrNO2C19H28 |
ABC2D19E28 |
-119.79 |
1.68 |
-9.49 |
-0.08 |
0 |
|
|
446416 |
135274805 |
1 |
NO2C21H29 |
AB2C21D29 |
-75.64 |
2.02 |
-9.08 |
0.37 |
0 |
|
|
446417 |
135274806 |
1 |
N2O7C36H68 |
A2B7C36D68 |
-409.11 |
5.86 |
-8.15 |
0.26 |
0 |
|
|
446418 |
135274807 |
1 |
N2O5C30H56 |
A2B5C30D56 |
-309.22 |
2.84 |
-8.46 |
0.34 |
0 |
|
|
446419 |
135274815 |
2 |
N3O12C58H101 |
A3B12C58D101 |
-1247.21 |
4.39 |
-9.06 |
-1.24 |
0 |
|
|
446421 |
135274840 |
1 |
SN2O4C26H26 |
AB2C4D26E26 |
-80.25 |
7.8 |
-8.18 |
-1.18 |
0 |
|
|
446422 |
135274853 |
1 |
O10C21H34 |
A10B21C34 |
-453.34 |
5.64 |
-9.74 |
-0.18 |
0 |
|
|
446423 |
135274856 |
1 |
IN2O2C8H15 |
AB2C2D8E15 |
-95.3 |
1.06 |
-9.7 |
-1.6 |
0 |
|
|
446424 |
135274858 |
1 |
O10C21H34 |
A10B21C34 |
-465.52 |
5.5 |
-9.77 |
-0.06 |
0 |
|
|
446425 |
135274860 |
1 |
FON4H15C18 |
ABC4D15E18 |
71.41 |
2.61 |
-8.65 |
-1.05 |
0 |
|
|
446426 |
135274886 |
1 |
BrF2N2O2H17C18 |
AB2C2D2E17F18 |
-110.1 |
2.47 |
-8.83 |
-0.91 |
0 |
|
|
446427 |
135274889 |
1 |
N3O10C16H23 |
A3B10C16D23 |
-386.9 |
3.98 |
-9.89 |
0.0 |
0 |
|
|
446428 |
135274899 |
1 |
SC12H16 |
AB12C16 |
57.3 |
2.4 |
-8.22 |
0.25 |
0 |
|
|
446429 |
135274909 |
1 |
OF4N4H20C22 |
AB4C4D20E22 |
-141.92 |
4.81 |
-9.38 |
-1.11 |
0 |
|
|
446430 |
135274924 |
1 |
ON2C9H14 |
AB2C9D14 |
-42.39 |
2.89 |
-8.34 |
0.3 |
0 |
|
|
446431 |
135274925 |
1 |
NO34C42H71 |
AB34C42D71 |
-1201.05 |
8.58 |
-8.4 |
-0.86 |
0 |
|
|
446432 |
135274930 |
1 |
ON4F6H20C23 |
AB4C6D20E23 |
-257.5 |
3.84 |
-9.4 |
-1.54 |
0 |
|
|
446433 |
135274936 |
1 |
ClFN2O2H10C12 |
ABC2D2E10F12 |
-71.24 |
1.8 |
-9.53 |
-1.29 |
0 |
|
|
446434 |
135274939 |
1 |
BrFN2O2H8C11 |
ABC2D2E8F11 |
-59.39 |
5.02 |
-9.77 |
-1.42 |
0 |
|
|
446435 |
135274944 |
1 |
FON4C16H19 |
ABC4D16E19 |
-33.23 |
2.8 |
-9.24 |
-0.98 |
0 |
|
|
446436 |
135274959 |
1 |
OF4N4H18C21 |
AB4C4D18E21 |
-137.95 |
2.41 |
-9.46 |
-1.27 |
0 |
|
|
446437 |
135274990 |
1 |
NO5C9H15 |
AB5C9D15 |
-244.79 |
4.81 |
-10.76 |
0.03 |
0 |
|
|
446438 |
135274994 |
1 |
NO2F3C16H18 |
AB2C3D16E18 |
-218.85 |
4.45 |
-9.08 |
-0.52 |
0 |
|
|
446439 |
135274995 |
1 |
NF2C7H13 |
AB2C7D13 |
-100.04 |
1.39 |
-9.62 |
0.76 |
0 |
|
|
446440 |
135275004 |
1 |
OF4N4H18C21 |
AB4C4D18E21 |
-137.81 |
4.0 |
-9.46 |
-1.29 |
0 |
|
|
446441 |
135275006 |
1 |
FON2C10H21 |
ABC2D10E21 |
-82.93 |
3.23 |
-8.37 |
0.94 |
0 |
|
|
446442 |
135275009 |
1 |
FO2N6H27C28 |
AB2C6D27E28 |
-20.83 |
6.55 |
-8.37 |
-0.99 |
0 |
|
|
446443 |
135275010 |
2 |
ON3H14C15 |
AB3C14D15 |
89.76 |
9.17 |
-8.34 |
-1.06 |
0 |
|
|
446444 |
135275012 |
1 |
OF3N6C29H29 |
AB3C6D29E29 |
-90.57 |
5.94 |
-8.45 |
-1.08 |
0 |
|
|
446445 |
135275015 |
2 |
FNC9H17 |
ABC9D17 |
-152.88 |
4.06 |
-8.43 |
2.24 |
0 |
|
|
446446 |
135275021 |
1 |
F2O2N7H25C29 |
A2B2C7D25E29 |
-44.25 |
6.44 |
-8.48 |
-0.97 |
0 |
|
|
446447 |
135275034 |
1 |
FO2N7H26C27 |
AB2C7D26E27 |
-5.48 |
3.83 |
-8.51 |
-0.92 |
0 |
|
|
446448 |
135275051 |
1 |
NO2C18H33 |
AB2C18D33 |
-78.15 |
3.99 |
-8.94 |
1.86 |
0 |
|
|
446449 |
135275055 |
1 |
O3F4N6H28C30 |
A3B4C6D28E30 |
-229.36 |
5.93 |
-8.34 |
-0.86 |
0 |
|
|
446450 |
135275057 |
1 |
F3O3N6H25C28 |
A3B3C6D25E28 |
-149.58 |
6.79 |
-8.43 |
-0.84 |
0 |
|
|
446451 |
135275073 |
1 |
O2F3N6H25C28 |
A2B3C6D25E28 |
-128.48 |
4.63 |
-8.36 |
-0.88 |
0 |
|
|
446452 |
135275082 |
1 |
FO2N7C30H32 |
AB2C7D30E32 |
-11.82 |
5.56 |
-8.4 |
-0.68 |
0 |
|
|
446453 |
135275087 |
1 |
N4C19H40 |
A4B19C40 |
-53.53 |
1.41 |
-8.41 |
2.65 |
0 |
|
|
446454 |
135275103 |
1 |
F3O3N6H29C30 |
A3B3C6D29E30 |
-181.17 |
1.79 |
-8.57 |
-1.13 |
0 |
|
|
446455 |
135275104 |
1 |
NOF2C9H17 |
ABC2D9E17 |
-179.98 |
3.37 |
-9.01 |
1.85 |
0 |
|
|
446456 |
135275114 |
1 |
FO2N7C30H32 |
AB2C7D30E32 |
-8.92 |
7.35 |
-8.68 |
-0.85 |
0 |
|
|
446457 |
135275129 |
1 |
O2N7H27C29 |
A2B7C27D29 |
58.16 |
8.6 |
-8.51 |
-0.92 |
0 |
|
|
446458 |
135275133 |
1 |
FO2N7C31H34 |
AB2C7D31E34 |
-20.73 |
4.55 |
-8.29 |
-0.78 |
0 |
|
|
446459 |
135275135 |
1 |
FO2N7H26C27 |
AB2C7D26E27 |
0.23 |
6.89 |
-8.55 |
-1.24 |
0 |
|
|
446460 |
135275155 |
1 |
S3N4H14C26 |
A3B4C14D26 |
190.12 |
0.77 |
-8.62 |
-1.46 |
0 |
|
|
446461 |
135275169 |
1 |
SN2C20H24 |
AB2C20D24 |
66.14 |
1.57 |
-9.25 |
-1.36 |
0 |
|
|
446462 |
135275192 |
2 |
FS2N3H5C12 |
AB2C3D5E12 |
219.31 |
7.46 |
-8.52 |
-2.35 |
0 |
|
|
446463 |
135275198 |
1 |
OSC12H22 |
ABC12D22 |
-76.11 |
1.4 |
-8.76 |
0.24 |
0 |
|
|
446464 |
135275199 |
1 |
C2N2S3H4 |
A2B2C3D4 |
27.61 |
2.97 |
-8.86 |
-1.7 |
0 |
|
|
446465 |
135275202 |
1 |
NP2S2O6C23H49 |
AB2C2D6E23F49 |
-484.04 |
3.07 |
-8.96 |
0.03 |
0 |
|
|
446466 |
135275203 |
1 |
ON3C14H19 |
AB3C14D19 |
-39.14 |
7.7 |
-8.82 |
-0.78 |
0 |
|
|
446467 |
135275206 |
1 |
NF2C9H19 |
AB2C9D19 |
-128.87 |
4.05 |
-8.94 |
2.36 |
0 |
|
|
446468 |
135275220 |
1 |
OF2N7H25C29 |
AB2C7D25E29 |
47.95 |
10.07 |
-8.6 |
-2.21 |
0 |
|
|
446469 |
135275235 |
1 |
FON8H25C28 |
ABC8D25E28 |
107.31 |
12.8 |
-8.69 |
-2.15 |
0 |
|
|
446470 |
135275236 |
1 |
FO2N7H26C29 |
AB2C7D26E29 |
44.92 |
4.94 |
-8.67 |
-2.22 |
0 |
|
|
446471 |
135275238 |
1 |
SF2O3N8H24C33 |
AB2C3D8E24F33 |
128.76 |
14.41 |
-8.66 |
-2.1 |
0 |
|
|
446472 |
135275240 |
1 |
BrFNO2H19C21 |
ABCD2E19F21 |
-50.59 |
4.72 |
-9.01 |
-0.21 |
0 |
|
|
446473 |
135275241 |
1 |
BrFNO2H19C21 |
ABCD2E19F21 |
-50.8 |
3.17 |
-8.92 |
-0.12 |
0 |
|
|
446474 |
135275247 |
1 |
BrFNO5C27H29 |
ABCD5E27F29 |
-208.93 |
4.39 |
-8.79 |
-0.11 |
0 |
|
|
446475 |
135275248 |
1 |
FN3O4C33H34 |
AB3C4D33E34 |
-80.23 |
3.36 |
-8.13 |
-0.27 |
0 |
|
|
446476 |
135275253 |
1 |
FNO2H18C21 |
ABC2D18E21 |
-47.44 |
1.9 |
-8.29 |
-0.36 |
0 |
|
|
446477 |
135275268 |
1 |
F2N2O3C26H26 |
A2B2C3D26E26 |
-119.65 |
2.51 |
-8.62 |
-0.34 |
0 |
|
|
446478 |
135275273 |
1 |
N2F3O4C35H35 |
A2B3C4D35E35 |
-194.2 |
3.86 |
-8.27 |
-0.39 |
0 |
|
|
446479 |
135275284 |
1 |
F2N2O3H32C33 |
A2B2C3D32E33 |
-91.24 |
4.29 |
-8.19 |
-0.28 |
0 |
|
|
446480 |
135275293 |
1 |
FNO2H14C15 |
ABC2D14E15 |
-75.06 |
5.67 |
-8.52 |
-0.14 |
0 |
|
|
446481 |
135275301 |
1 |
FNO5C15H20 |
ABC5D15E20 |
-267.0 |
4.44 |
-9.39 |
-0.3 |
0 |
|
|
446482 |
135275306 |
1 |
BrFNO4C26H27 |
ABCD4E26F27 |
-165.24 |
4.48 |
-8.85 |
-0.17 |
0 |
|
|
446483 |
135275308 |
1 |
BrFNO2H21C22 |
ABCD2E21F22 |
-49.16 |
4.32 |
-8.79 |
-0.16 |
0 |
|
|
446484 |
135275317 |
1 |
BrFN3O4C25H31 |
ABC3D4E25F31 |
-184.57 |
5.65 |
-8.76 |
-0.23 |
0 |
|
|
446485 |
135275325 |
1 |
F2N2O3C27H28 |
A2B2C3D27E28 |
-115.15 |
7.18 |
-8.7 |
-0.25 |
0 |
|
|
446486 |
135275335 |
1 |
N3O5H27C33 |
A3B5C27D33 |
86.63 |
5.31 |
-8.84 |
-1.86 |
0 |
|
|
446487 |
135275352 |
1 |
O2N8C29H32 |
A2B8C29D32 |
76.07 |
3.61 |
-8.69 |
-0.8 |
0 |
|
|
446488 |
135275371 |
1 |
O8N12C29H56 |
A8B12C29D56 |
-382.77 |
6.48 |
-9.39 |
-0.07 |
0 |
|
|
446489 |
135275386 |
1 |
SN3O6C30H33 |
AB3C6D30E33 |
-174.23 |
5.91 |
-8.54 |
-0.54 |
0 |
|
|
446490 |
135275406 |
3 |
NO2C10H11 |
AB2C10D11 |
-178.3 |
5.02 |
-8.52 |
-0.17 |
0 |
|
|
446491 |
135275408 |
1 |
FN2O4C20H23 |
AB2C4D20E23 |
-201.32 |
1.75 |
-9.09 |
-0.21 |
0 |
|
|
446492 |
135275439 |
1 |
O5C15H22 |
A5B15C22 |
-203.26 |
3.3 |
-9.75 |
-0.79 |
0 |
|
|
446493 |
135275444 |
1 |
ClN2O3H13C14 |
AB2C3D13E14 |
-37.97 |
3.87 |
-9.65 |
-1.35 |
0 |
|
|
446494 |
135275446 |
1 |
SN3H73C110 |
AB3C73D110 |
458.5 |
3.54 |
-7.94 |
-0.68 |
0 |
|
|
446495 |
135275454 |
1 |
SN4O4C31H36 |
AB4C4D31E36 |
-87.25 |
6.88 |
-8.8 |
-0.54 |
0 |
|
|
446496 |
135275459 |
1 |
OSN6C24H30 |
ABC6D24E30 |
35.92 |
5.93 |
-8.19 |
-0.64 |
0 |
|
|
446497 |
135275460 |
1 |
NOH37C57 |
ABC37D57 |
323.53 |
0.97 |
-7.99 |
-0.72 |
0 |
|
|
446498 |
135275469 |
1 |
ON2C17H22 |
AB2C17D22 |
-9.41 |
3.38 |
-8.92 |
-0.24 |
0 |
|
|
446499 |
135275488 |
1 |
NO3C16H27 |
AB3C16D27 |
-160.17 |
2.77 |
-8.42 |
0.25 |
0 |
|
|
446500 |
135275494 |
1 |
O5C23H24 |
A5B23C24 |
-157.49 |
4.11 |
-8.2 |
-1.02 |
0 |