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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
165492 |
74557843 |
1 |
ClFON4C20H23 |
ABCD4E20F23 |
11.18 |
5.13 |
0.0 |
0.0 |
1 |
|
|
165493 |
74557844 |
1 |
FON4C20H24 |
ABC4D20E24 |
18.57 |
5.45 |
0.0 |
0.0 |
1 |
|
|
165494 |
74558304 |
1 |
ON2C19H33 |
AB2C19D33 |
-40.55 |
0.64 |
0.0 |
0.0 |
1 |
|
|
165495 |
74558450 |
1 |
N2O3C14H23 |
A2B3C14D23 |
-67.8 |
5.41 |
0.0 |
0.0 |
-2 |
|
|
165496 |
74558763 |
1 |
FNSO5H18C21 |
ABCD5E18F21 |
-28.67 |
22.75 |
-7.54 |
-5.43 |
1 |
|
|
165497 |
74558944 |
1 |
O2N3C15H24 |
A2B3C15D24 |
27.66 |
7.59 |
0.0 |
0.0 |
1 |
|
|
165498 |
74558945 |
1 |
O2N3C18H28 |
A2B3C18D28 |
20.05 |
6.19 |
0.0 |
0.0 |
-1 |
|
|
165499 |
74558946 |
1 |
BrClN3O3C13H14 |
ABC3D3E13F14 |
-47.74 |
3.29 |
0.0 |
0.0 |
-1 |
|
|
165500 |
74558947 |
1 |
N3O4C14H16 |
A3B4C14D16 |
-51.77 |
3.23 |
0.0 |
0.0 |
1 |
|
|
165501 |
74558948 |
1 |
O2N3C18H26 |
A2B3C18D26 |
37.59 |
14.35 |
0.0 |
0.0 |
-2 |
|
|
165502 |
74558949 |
1 |
N2O8H18C27 |
A2B8C18D27 |
-116.85 |
9.28 |
-9.31 |
-1.92 |
1 |
|
|
165503 |
74558967 |
1 |
O2N3C26H38 |
A2B3C26D38 |
7.72 |
5.46 |
0.0 |
0.0 |
1 |
|
|
165504 |
74558968 |
1 |
N2O2C16H25 |
A2B2C16D25 |
-30.28 |
1.84 |
0.0 |
0.0 |
0 |
|
|
165505 |
74559104 |
1 |
FSN2O4C17H23 |
ABC2D4E17F23 |
-201.78 |
14.0 |
-9.34 |
-0.06 |
1 |
|
|
165506 |
74559276 |
1 |
ClON4C20H34 |
ABC4D20E34 |
-4.19 |
6.09 |
0.0 |
0.0 |
-1 |
|
|
165507 |
74559534 |
1 |
SN2O7H15C19 |
AB2C7D15E19 |
-155.93 |
8.93 |
0.0 |
0.0 |
-1 |
|
|
165508 |
74559535 |
1 |
BrSN2O4H12C17 |
ABC2D4E12F17 |
-135.42 |
3.24 |
0.0 |
0.0 |
1 |
|
|
165509 |
74559536 |
1 |
NO2C17H22 |
AB2C17D22 |
-15.28 |
2.94 |
0.0 |
0.0 |
1 |
|
|
165510 |
74559725 |
1 |
O4N5C23H28 |
A4B5C23D28 |
-45.14 |
10.21 |
0.0 |
0.0 |
1 |
|
|
165511 |
74559726 |
1 |
BrO4N5C23H27 |
AB4C5D23E27 |
-45.57 |
11.08 |
0.0 |
0.0 |
1 |
|
|
165512 |
74559773 |
1 |
N3O4C22H32 |
A3B4C22D32 |
-95.9 |
7.45 |
0.0 |
0.0 |
-2 |
|
|
165513 |
74560073 |
1 |
SN2O5H14C20 |
AB2C5D14E20 |
0.12 |
6.12 |
-9.15 |
-2.49 |
1 |
|
|
165514 |
74560101 |
1 |
ON3C20H28 |
AB3C20D28 |
28.62 |
3.89 |
0.0 |
0.0 |
-2 |
|
|
165515 |
74560342 |
1 |
FNO5H16C21 |
ABC5D16E21 |
-145.44 |
5.56 |
-9.85 |
-1.03 |
-1 |
|
|
165516 |
74560374 |
1 |
Cl2N2O4C19H21 |
A2B2C4D19E21 |
-116.03 |
1.61 |
0.0 |
0.0 |
0 |
|
|
165517 |
74560407 |
1 |
NO2C7H11 |
AB2C7D11 |
-90.08 |
4.57 |
-10.22 |
0.54 |
0 |
|
|
165518 |
74560516 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-2.03 |
9.54 |
-9.06 |
-2.11 |
0 |
|
|
165519 |
74560517 |
1 |
O2N3H13C16 |
A2B3C13D16 |
37.47 |
7.99 |
-9.16 |
-1.94 |
0 |
|
|
165520 |
74560758 |
1 |
N2O5C28H34 |
A2B5C28D34 |
-122.22 |
19.7 |
-7.99 |
-0.18 |
1 |
|
|
165521 |
74560794 |
1 |
OCl2N3C20H26 |
AB2C3D20E26 |
5.78 |
6.75 |
0.0 |
0.0 |
0 |
|
|
165522 |
74561231 |
1 |
O2S2N3C16H21 |
A2B2C3D16E21 |
-55.93 |
2.4 |
-8.64 |
-1.03 |
-2 |
|
|
165523 |
74561232 |
1 |
SF3N3O4H10C20 |
AB3C3D4E10F20 |
-159.45 |
15.88 |
-8.86 |
-2.34 |
0 |
|
|
165524 |
74561233 |
1 |
O2N7C30H35 |
A2B7C30D35 |
78.61 |
11.46 |
-8.28 |
-1.58 |
1 |
|
|
165525 |
74561234 |
1 |
ON7C26H30 |
AB7C26D30 |
115.73 |
12.37 |
0.0 |
0.0 |
0 |
|
|
165526 |
74561235 |
1 |
ON7C26H29 |
AB7C26D29 |
218.63 |
11.95 |
-6.88 |
-2.47 |
0 |
|
|
165527 |
74561236 |
1 |
FO2N7C28H40 |
AB2C7D28E40 |
-67.84 |
2.9 |
-8.21 |
-0.1 |
0 |
|
|
165528 |
74561237 |
1 |
O3N7C29H33 |
A3B7C29D33 |
45.51 |
9.8 |
-8.19 |
-1.61 |
0 |
|
|
165529 |
74561501 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-110.45 |
8.5 |
-10.27 |
-1.88 |
1 |
|
|
165530 |
74561502 |
1 |
N3O4C13H18 |
A3B4C13D18 |
-99.05 |
6.53 |
0.0 |
0.0 |
1 |
|
|
165531 |
74561530 |
1 |
NO3C17H28 |
AB3C17D28 |
-101.18 |
2.17 |
0.0 |
0.0 |
1 |
|
|
165532 |
74561601 |
1 |
ON4C28H31 |
AB4C28D31 |
51.68 |
6.79 |
0.0 |
0.0 |
1 |
|
|
165533 |
74561730 |
1 |
SN2C10H15 |
AB2C10D15 |
48.35 |
2.56 |
0.0 |
0.0 |
1 |
|
|
165534 |
74561905 |
1 |
NC12H20 |
AB12C20 |
-2.19 |
2.27 |
0.0 |
0.0 |
0 |
|
|
165535 |
74562121 |
1 |
O5N6C27H34 |
A5B6C27D34 |
-88.7 |
7.27 |
-9.57 |
-0.18 |
-1 |
|
|
165536 |
74562192 |
1 |
N3O5C24H26 |
A3B5C24D26 |
-89.56 |
10.44 |
0.0 |
0.0 |
1 |
|
|
165537 |
74562519 |
1 |
ClON5C19H23 |
ABC5D19E23 |
26.52 |
6.78 |
0.0 |
0.0 |
1 |
|
|
165538 |
74562590 |
1 |
N4O5C26H27 |
A4B5C26D27 |
-64.94 |
5.08 |
0.0 |
0.0 |
-1 |
|
|
165539 |
74562591 |
1 |
N3O5H10C14 |
A3B5C10D14 |
8.01 |
3.48 |
0.0 |
0.0 |
-1 |
|
|
165540 |
74562592 |
1 |
N3O5H18C20 |
A3B5C18D20 |
-69.5 |
22.12 |
0.0 |
0.0 |
-2 |
|
|
165541 |
74562593 |
1 |
FSN2O5H11C19 |
ABC2D5E11F19 |
-81.64 |
11.64 |
-8.51 |
-2.11 |
1 |
|
|
165542 |
74563208 |
1 |
SN2O2C23H33 |
AB2C2D23E33 |
-52.83 |
2.43 |
0.0 |
0.0 |
1 |
|
|
165543 |
74563277 |
1 |
ClO3N5C21H25 |
AB3C5D21E25 |
39.58 |
8.52 |
0.0 |
0.0 |
1 |
|
|
165544 |
74563297 |
1 |
ClON5C20H25 |
ABC5D20E25 |
55.95 |
7.83 |
0.0 |
0.0 |
0 |
|
|
165545 |
74563620 |
1 |
O3N7C25H35 |
A3B7C25D35 |
-38.43 |
6.32 |
-8.67 |
-0.13 |
1 |
|
|
165546 |
74564164 |
1 |
BrO2N3C13H15 |
AB2C3D13E15 |
-48.08 |
2.18 |
0.0 |
0.0 |
0 |
|
|
165547 |
74564291 |
1 |
BrNO2H16C19 |
ABC2D16E19 |
-2.28 |
6.72 |
-8.98 |
-1.04 |
-1 |
|
|
165548 |
74564317 |
1 |
ClSN3O5H21C24 |
ABC3D5E21F24 |
-105.49 |
6.97 |
0.0 |
0.0 |
1 |
|
|
165549 |
74564369 |
1 |
ON5C20H24 |
AB5C20D24 |
54.03 |
6.46 |
0.0 |
0.0 |
0 |
|
|
165550 |
74564507 |
1 |
ClSO3N4H21C26 |
ABC3D4E21F26 |
-11.16 |
8.54 |
-9.45 |
-1.03 |
0 |
|
|
165551 |
74565013 |
1 |
N3O4H19C23 |
A3B4C19D23 |
-1.73 |
4.78 |
-9.26 |
-1.77 |
0 |
|
|
165552 |
74565014 |
1 |
N3O4H19C23 |
A3B4C19D23 |
-1.67 |
4.43 |
-9.35 |
-1.84 |
1 |
|
|
165553 |
74565670 |
1 |
ClON6C20H28 |
ABC6D20E28 |
93.46 |
5.58 |
0.0 |
0.0 |
1 |
|
|
165554 |
74565671 |
1 |
ClON6C22H32 |
ABC6D22E32 |
57.12 |
5.12 |
0.0 |
0.0 |
1 |
|
|
165555 |
74565672 |
1 |
O3N6C22H33 |
A3B6C22D33 |
21.43 |
12.63 |
0.0 |
0.0 |
0 |
|
|
165556 |
74565926 |
1 |
ClFNO4H13C20 |
ABCD4E13F20 |
-125.55 |
7.67 |
-9.2 |
-1.54 |
0 |
|
|
165557 |
74566276 |
1 |
NCl2O5H19C25 |
AB2C5D19E25 |
-97.19 |
4.18 |
-8.97 |
-1.42 |
0 |
|
|
165558 |
74566403 |
1 |
NCl2O5H19C25 |
AB2C5D19E25 |
-96.38 |
5.21 |
-8.35 |
-1.52 |
0 |
|
|
165559 |
74566404 |
1 |
NCl2O4H17C24 |
AB2C4D17E24 |
-61.57 |
4.59 |
-8.62 |
-1.59 |
0 |
|
|
165560 |
74566405 |
1 |
NCl2O4H19C25 |
AB2C4D19E25 |
-71.08 |
4.61 |
-8.72 |
-1.58 |
-1 |
|
|
165561 |
74567007 |
1 |
N3O6C25H26 |
A3B6C25D26 |
-77.56 |
7.36 |
0.0 |
0.0 |
1 |
|
|
165562 |
74567437 |
1 |
NO2C16H22 |
AB2C16D22 |
-42.44 |
5.49 |
0.0 |
0.0 |
0 |
|
|
165563 |
74567828 |
1 |
O2F3N3C23H26 |
A2B3C3D23E26 |
-161.22 |
4.15 |
-8.66 |
-0.79 |
0 |
|
|
165564 |
74568061 |
2 |
ON2C16H24 |
AB2C16D24 |
-56.16 |
4.42 |
-8.35 |
0.27 |
1 |
|
|
165565 |
74568062 |
1 |
O2N3C21H30 |
A2B3C21D30 |
-24.33 |
3.16 |
0.0 |
0.0 |
1 |
|
|
165566 |
74568063 |
1 |
ON5C22H26 |
AB5C22D26 |
71.81 |
11.25 |
0.0 |
0.0 |
0 |
|
|
165567 |
74568064 |
1 |
ON5C22H25 |
AB5C22D25 |
57.84 |
6.93 |
-9.25 |
-1.28 |
0 |
|
|
165568 |
74568065 |
1 |
ON4C21H34 |
AB4C21D34 |
-37.78 |
4.07 |
-8.78 |
0.22 |
0 |
|
|
165569 |
74568066 |
1 |
SO2N6C20H26 |
AB2C6D20E26 |
-12.5 |
4.16 |
-9.02 |
-1.21 |
1 |
|
|
165570 |
74568067 |
1 |
FN4C25H34 |
AB4C25D34 |
27.17 |
5.29 |
0.0 |
0.0 |
0 |
|
|
165571 |
74568305 |
2 |
NO2C7H8 |
AB2C7D8 |
-145.78 |
3.42 |
-9.5 |
-1.74 |
0 |
|
|
165572 |
74568308 |
1 |
N2O4H12C15 |
A2B4C12D15 |
-109.0 |
3.5 |
-8.76 |
-1.86 |
1 |
|
|
165573 |
74568456 |
1 |
O2N4C20H25 |
A2B4C20D25 |
6.42 |
11.48 |
0.0 |
0.0 |
-2 |
|
|
165574 |
74568653 |
1 |
ClSN2O3H9C17 |
ABC2D3E9F17 |
45.52 |
4.41 |
-9.46 |
-2.26 |
-1 |
|
|
165575 |
74569554 |
1 |
SN3O3F5H11C21 |
AB3C3D5E11F21 |
-161.69 |
4.67 |
0.0 |
0.0 |
2 |
|
|
165576 |
74570014 |
1 |
O4N5C26H29 |
A4B5C26D29 |
1.8 |
11.53 |
-6.68 |
-1.16 |
0 |
|
|
165577 |
74570172 |
1 |
OF3N4H11C12 |
AB3C4D11E12 |
-112.5 |
6.83 |
-8.88 |
-0.75 |
-1 |
|
|
165578 |
74570289 |
1 |
ClNO2H7C12 |
ABC2D7E12 |
28.22 |
4.81 |
0.0 |
0.0 |
1 |
|
|
165579 |
74570290 |
1 |
SO2N3C13H22 |
AB2C3D13E22 |
-40.82 |
7.6 |
0.0 |
0.0 |
-1 |
|
|
165580 |
74570465 |
1 |
BrNO2H13C15 |
ABC2D13E15 |
17.6 |
9.16 |
0.0 |
0.0 |
-1 |
|
|
165581 |
74570466 |
1 |
NS2O4C12H16 |
AB2C4D12E16 |
-142.52 |
4.27 |
0.0 |
0.0 |
0 |
|
|
165582 |
74570467 |
1 |
SO2N3C9H9 |
AB2C3D9E9 |
-29.68 |
4.17 |
-9.34 |
-1.26 |
-1 |
|
|
165583 |
74570468 |
1 |
NSO4C8H14 |
ABC4D8E14 |
-170.85 |
3.97 |
0.0 |
0.0 |
-1 |
|
|
165584 |
74570469 |
1 |
BrNSO4H13C15 |
ABCD4E13F15 |
-33.45 |
4.98 |
0.0 |
0.0 |
1 |
|
|
165585 |
74570470 |
1 |
ON3C8H18 |
AB3C8D18 |
-34.18 |
3.25 |
0.0 |
0.0 |
0 |
|
|
165586 |
74571392 |
2 |
NO3C14H18 |
AB3C14D18 |
-191.67 |
20.7 |
-7.91 |
-0.32 |
1 |
|
|
165587 |
74571560 |
1 |
N4C12H23 |
A4B12C23 |
50.25 |
1.37 |
0.0 |
0.0 |
-1 |
|
|
165588 |
74571758 |
1 |
N4O4C13H19 |
A4B4C13D19 |
-86.13 |
0.81 |
0.0 |
0.0 |
0 |
|
|
165589 |
74572814 |
1 |
FOSN3H14C18 |
ABCD3E14F18 |
8.69 |
1.73 |
-8.56 |
-0.96 |
0 |
|
|
165590 |
74573066 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-1.69 |
3.61 |
-8.93 |
-1.34 |
1 |
|
|
165591 |
74573673 |
1 |
N4C12H17 |
A4B12C17 |
89.21 |
2.35 |
0.0 |
0.0 |
1 |