List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
402495 |
135056188 |
1 |
FNO3H18C19 |
ABC3D18E19 |
-132.51 |
3.51 |
-9.49 |
-0.33 |
0 |
|
|
402496 |
135056189 |
1 |
FH17C21 |
AB17C21 |
17.91 |
1.61 |
-8.84 |
-0.42 |
0 |
|
|
402497 |
135056190 |
1 |
FNS2O3C18H22 |
ABC2D3E18F22 |
-115.51 |
8.16 |
-8.57 |
-0.25 |
0 |
|
|
402498 |
135056192 |
1 |
FNS2O4C20H26 |
ABC2D4E20F26 |
-164.54 |
6.87 |
-8.24 |
-0.54 |
0 |
|
|
402499 |
135056195 |
1 |
OSC22H22 |
ABC22D22 |
12.47 |
1.84 |
-8.66 |
-0.28 |
0 |
|
|
402500 |
135056199 |
1 |
FNS2O4C17H22 |
ABC2D4E17F22 |
-157.78 |
7.51 |
-8.2 |
-0.77 |
0 |
|
|
402501 |
135056201 |
1 |
FO2C13H13 |
AB2C13D13 |
-104.19 |
3.58 |
-10.11 |
-0.65 |
0 |
|
|
402502 |
135056203 |
1 |
FN2S2O3C20H27 |
AB2C2D3E20F27 |
-118.23 |
4.09 |
-8.07 |
-0.63 |
0 |
|
|
402503 |
135056207 |
1 |
NO2C18H19 |
AB2C18D19 |
-43.71 |
4.69 |
-8.47 |
-0.02 |
0 |
|
|
402504 |
135056215 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-61.98 |
3.49 |
-9.7 |
-1.24 |
0 |
|
|
402505 |
135056221 |
1 |
FNCl2H12C14 |
ABC2D12E14 |
-20.86 |
2.82 |
-8.66 |
-0.4 |
0 |
|
|
402506 |
135056222 |
1 |
BrNOC16H18 |
ABCD16E18 |
2.07 |
3.81 |
-7.92 |
0.01 |
0 |
|
|
402507 |
135056230 |
1 |
NO15C41H67 |
AB15C41D67 |
-658.85 |
6.66 |
-9.04 |
0.01 |
0 |
|
|
402508 |
135056231 |
1 |
ClS2O6C10H13 |
AB2C6D10E13 |
-251.35 |
1.37 |
-9.61 |
-0.4 |
0 |
|
|
402509 |
135056238 |
1 |
ClO2S2C13H15 |
AB2C2D13E15 |
-17.18 |
5.86 |
-8.23 |
-0.47 |
0 |
|
|
402510 |
135056240 |
1 |
ClMgC7H9 |
ABC7D9 |
-17.22 |
3.47 |
-9.41 |
0.17 |
0 |
|
|
402511 |
135056241 |
1 |
NI2O5H13C16 |
AB2C5D13E16 |
-119.46 |
5.44 |
-9.0 |
-1.54 |
0 |
|
|
402512 |
135056242 |
1 |
ClON2C21H29 |
ABC2D21E29 |
-24.29 |
2.57 |
-8.36 |
-0.42 |
0 |
|
|
402513 |
135056245 |
1 |
O2N3C20H27 |
A2B3C20D27 |
12.26 |
7.1 |
-7.94 |
-0.05 |
0 |
|
|
402514 |
135056246 |
2 |
OC10H14 |
AB10C14 |
-68.39 |
2.06 |
-8.59 |
1.42 |
0 |
|
|
402515 |
135056252 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-11.39 |
5.48 |
-8.59 |
-0.46 |
0 |
|
|
402517 |
135056256 |
1 |
O5C24H32 |
A5B24C32 |
-229.68 |
2.16 |
-9.4 |
-0.17 |
0 |
|
|
402518 |
135056258 |
1 |
SN5O5C20H31 |
AB5C5D20E31 |
-215.48 |
2.89 |
-9.85 |
-0.45 |
0 |
|
|
402519 |
135056261 |
1 |
NOC23H33 |
ABC23D33 |
-60.53 |
5.31 |
-7.81 |
0.76 |
0 |
|
|
402520 |
135056269 |
1 |
ClNO3C8H14 |
ABC3D8E14 |
-146.38 |
5.54 |
-9.06 |
-0.35 |
0 |
|
|
402521 |
135056279 |
1 |
F2O2C19H20 |
A2B2C19D20 |
-129.89 |
0.25 |
-8.78 |
-0.05 |
0 |
|
|
402522 |
135056280 |
1 |
ClN2O4H7C8 |
AB2C4D7E8 |
-67.06 |
7.68 |
-10.49 |
-1.91 |
0 |
|
|
402523 |
135056282 |
2 |
OC10H14 |
AB10C14 |
-44.12 |
5.75 |
-9.01 |
-0.47 |
0 |
|
|
402524 |
135056284 |
1 |
O3C22H34 |
A3B22C34 |
-180.21 |
1.47 |
-9.33 |
0.89 |
0 |
|
|
402525 |
135056287 |
1 |
PN2O9C40H79 |
AB2C9D40E79 |
-621.43 |
3.88 |
-9.81 |
0.27 |
0 |
|
|
402526 |
135056291 |
1 |
ON2H3Cl7C9 |
AB2C3D7E9 |
-37.86 |
2.9 |
-9.51 |
-1.46 |
0 |
|
|
402527 |
135056292 |
1 |
ClNOC14H16 |
ABCD14E16 |
-41.37 |
3.78 |
-9.43 |
-0.75 |
0 |
|
|
402529 |
135056296 |
1 |
FNO2C20H20 |
ABC2D20E20 |
-89.86 |
2.93 |
-8.51 |
-0.66 |
0 |
|
|
402530 |
135056297 |
1 |
ClC20H29 |
AB20C29 |
-5.05 |
3.31 |
-8.48 |
-0.19 |
0 |
|
|
402531 |
135056298 |
1 |
CaO4C6H6 |
AB4C6D6 |
-209.77 |
8.9 |
-9.68 |
-1.55 |
0 |
|
|
402532 |
135056304 |
1 |
SN6O8C36H50 |
AB6C8D36E50 |
-340.1 |
8.0 |
-9.12 |
-0.41 |
0 |
|
|
402534 |
135056308 |
3 |
ClNOC3H8 |
ABCD3E8 |
-259.78 |
6.01 |
-9.54 |
0.58 |
0 |
|
|
402535 |
135056309 |
2 |
O3C6H11 |
A3B6C11 |
-289.26 |
4.55 |
-10.0 |
0.82 |
0 |
|
|
402536 |
135056311 |
1 |
NO2C13H19 |
AB2C13D19 |
-58.43 |
2.48 |
-8.7 |
0.34 |
0 |
|
|
402537 |
135056313 |
1 |
NO3C10H15 |
AB3C10D15 |
-129.3 |
3.93 |
-10.02 |
-0.58 |
0 |
|
|
402538 |
135056320 |
1 |
N6O17C52H82 |
A6B17C52D82 |
-840.76 |
6.87 |
-9.15 |
-0.56 |
0 |
|
|
402542 |
135056330 |
1 |
ClO3C25H29 |
AB3C25D29 |
-125.96 |
6.03 |
-9.42 |
-0.69 |
0 |
|
|
402543 |
135056334 |
1 |
OC17H26 |
AB17C26 |
-51.69 |
2.44 |
-9.34 |
0.21 |
0 |
|
|
402544 |
135056335 |
1 |
ClFNO2H11C14 |
ABCD2E11F14 |
-95.06 |
0.8 |
-8.66 |
-0.9 |
0 |
|
|
402545 |
135056336 |
2 |
NO2C6H11 |
AB2C6D11 |
-184.14 |
3.28 |
-8.52 |
0.6 |
0 |
|
|
402546 |
135056337 |
1 |
ClIN2S2C7H10 |
ABC2D2E7F10 |
37.92 |
4.38 |
-8.93 |
-0.68 |
0 |
|
|
402547 |
135056340 |
1 |
N2O3C11H16 |
A2B3C11D16 |
-115.17 |
4.79 |
-8.59 |
0.06 |
0 |
|
|
402548 |
135056343 |
1 |
NCl2O3C12H13 |
AB2C3D12E13 |
-129.24 |
3.18 |
-9.96 |
-0.68 |
0 |
|
|
402549 |
135056344 |
1 |
O6C9H16 |
A6B9C16 |
-283.29 |
3.03 |
-10.45 |
0.82 |
0 |
|
|
402550 |
135056345 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-113.33 |
3.57 |
-8.13 |
0.2 |
0 |
|
|
402551 |
135056347 |
1 |
BrClMgO2C3H4 |
ABCD2E3F4 |
-104.38 |
3.07 |
-10.1 |
-1.35 |
0 |
|
|
402552 |
135056348 |
1 |
NF3O3H8C9 |
AB3C3D8E9 |
-256.38 |
4.39 |
-9.22 |
-0.71 |
0 |
|
|
402553 |
135056352 |
1 |
NCl2H9C13 |
AB2C9D13 |
52.76 |
2.84 |
-9.51 |
-0.6 |
0 |
|
|
402554 |
135056353 |
1 |
O5C11H14 |
A5B11C14 |
-194.11 |
3.41 |
-8.83 |
-0.15 |
0 |
|
|
402555 |
135056358 |
2 |
O3C8H12 |
A3B8C12 |
-236.37 |
1.19 |
-8.48 |
0.17 |
0 |
|
|
402556 |
135056378 |
1 |
KO2C18H31 |
AB2C18D31 |
-165.07 |
6.85 |
-9.11 |
0.39 |
0 |
|
|
402558 |
135056380 |
1 |
N5O5C35H39 |
A5B5C35D39 |
-155.64 |
6.64 |
-8.12 |
-0.18 |
0 |
|
|
402560 |
135056388 |
2 |
N2O3C17H19 |
A2B3C17D19 |
16.85 |
15.73 |
-5.94 |
-3.42 |
0 |
|
|
402561 |
135056394 |
1 |
ClNO2C8H12 |
ABC2D8E12 |
-111.4 |
3.57 |
-9.86 |
0.44 |
0 |
|
|
402562 |
135056398 |
1 |
N6O14C47H62 |
A6B14C47D62 |
-592.82 |
10.34 |
-9.41 |
-0.38 |
0 |
|
|
402563 |
135056399 |
1 |
O11C13H26 |
A11B13C26 |
-514.42 |
3.11 |
-10.22 |
-0.33 |
0 |
|
|
402564 |
135056404 |
2 |
ON2C6H8 |
AB2C6D8 |
-47.02 |
5.54 |
-10.76 |
-0.62 |
0 |
|
|
402565 |
135056408 |
1 |
O11C12H22 |
A11B12C22 |
-483.11 |
4.85 |
-10.41 |
-0.54 |
0 |
|
|
402566 |
135056413 |
1 |
N2C15H20 |
A2B15C20 |
30.24 |
3.25 |
-8.68 |
-0.63 |
0 |
|
|
402567 |
135056414 |
1 |
O2C13H24 |
A2B13C24 |
-139.8 |
1.79 |
-10.79 |
0.88 |
0 |
|
|
402568 |
135056425 |
1 |
ClNF3C8H9 |
ABC3D8E9 |
-174.22 |
5.49 |
-10.17 |
-0.42 |
0 |
|
|
402569 |
135056438 |
1 |
ClNOSH8C13 |
ABCDE8F13 |
36.83 |
1.03 |
-9.02 |
-1.01 |
-2 |
|
|
402570 |
135056451 |
1 |
PC6O9H11 |
AB6C9D11 |
-334.21 |
3.36 |
-10.57 |
-2.25 |
0 |
|
|
402571 |
135056457 |
1 |
NO2C13H17 |
AB2C13D17 |
-49.61 |
2.67 |
-8.95 |
-0.12 |
1 |
|
|
402572 |
135056459 |
1 |
NSeO2C11H12 |
ABC2D11E12 |
-49.06 |
4.49 |
0.0 |
0.0 |
0 |
|
|
402573 |
135056461 |
1 |
OSeN2C9H10 |
ABC2D9E10 |
0.02 |
1.51 |
-7.85 |
-0.4 |
0 |
|
|
402574 |
135056462 |
1 |
BrKNH5C8 |
ABCD5E8 |
17.93 |
10.44 |
-7.38 |
-0.27 |
0 |
|
|
402575 |
135056464 |
1 |
O3C12H16 |
A3B12C16 |
-90.4 |
2.12 |
-8.35 |
-0.1 |
0 |
|
|
402576 |
135056465 |
1 |
OF2N2H6C10 |
AB2C2D6E10 |
-52.38 |
2.63 |
-10.21 |
-1.02 |
0 |
|
|
402577 |
135056468 |
1 |
ZnO2C10H14 |
AB2C10D14 |
135.08 |
3.35 |
-9.43 |
-1.75 |
0 |