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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
72652 |
48416401 |
1 |
SN3O4C17H23 |
AB3C4D17E23 |
-153.88 |
13.02 |
-9.36 |
-0.06 |
0 |
|
|
72653 |
48416402 |
2 |
ON3C10H14 |
AB3C10D14 |
-49.97 |
2.71 |
-8.89 |
-0.5 |
0 |
|
|
72654 |
48416403 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-82.73 |
6.97 |
-9.18 |
-0.03 |
0 |
|
|
72655 |
48416404 |
1 |
SO2N6C20H26 |
AB2C6D20E26 |
-33.64 |
4.43 |
-8.82 |
-0.78 |
0 |
|
|
72656 |
48416405 |
1 |
SO2N6C20H26 |
AB2C6D20E26 |
-32.53 |
4.45 |
-8.84 |
-0.91 |
0 |
|
|
72657 |
48416406 |
1 |
SO2N5C18H27 |
AB2C5D18E27 |
-77.12 |
7.32 |
-8.56 |
-0.28 |
0 |
|
|
72658 |
48416407 |
4 |
NOC5H7 |
ABC5D7 |
-180.51 |
9.26 |
-8.72 |
-0.01 |
0 |
|
|
72659 |
48416408 |
1 |
O3N4C22H22 |
A3B4C22D22 |
-15.8 |
2.27 |
-9.07 |
-1.46 |
0 |
|
|
72660 |
48416409 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-46.54 |
2.81 |
-9.41 |
-0.74 |
0 |
|
|
72661 |
48416411 |
1 |
SO3N4C16H22 |
AB3C4D16E22 |
-112.14 |
5.1 |
-9.31 |
-0.58 |
0 |
|
|
72662 |
48416412 |
1 |
N4O5C19H26 |
A4B5C19D26 |
-179.77 |
3.98 |
-8.57 |
-0.12 |
0 |
|
|
72663 |
48416413 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-130.72 |
4.34 |
-9.42 |
-0.16 |
0 |
|
|
72664 |
48416414 |
1 |
FO3N4C17H21 |
AB3C4D17E21 |
-152.41 |
5.4 |
-9.45 |
-0.51 |
0 |
|
|
72665 |
48416416 |
1 |
ClO3N4C17H21 |
AB3C4D17E21 |
-118.21 |
7.28 |
-9.13 |
-0.91 |
0 |
|
|
72666 |
48416417 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-124.89 |
4.12 |
-9.36 |
0.02 |
0 |
|
|
72667 |
48416418 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-155.19 |
4.12 |
-9.15 |
-0.29 |
0 |
|
|
72668 |
48416419 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-90.51 |
1.82 |
-9.12 |
0.38 |
0 |
|
|
72669 |
48416420 |
1 |
ClN3O3C19H20 |
AB3C3D19E20 |
-76.59 |
0.89 |
-9.14 |
-0.98 |
0 |
|
|
72670 |
48416421 |
1 |
O2N5C18H21 |
A2B5C18D21 |
-22.73 |
3.05 |
-9.38 |
-0.62 |
0 |
|
|
72671 |
48416422 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-157.06 |
6.89 |
-9.27 |
-0.79 |
0 |
|
|
72672 |
48416423 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-99.29 |
8.38 |
-8.26 |
-0.17 |
0 |
|
|
72673 |
48416424 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-155.69 |
4.11 |
-8.83 |
0.09 |
0 |
|
|
72674 |
48416425 |
1 |
FN3O3C18H20 |
AB3C3D18E20 |
-132.39 |
2.75 |
-9.23 |
-1.04 |
0 |
|
|
72675 |
48416426 |
1 |
SO4N5C16H21 |
AB4C5D16E21 |
-123.15 |
8.25 |
-9.38 |
-0.98 |
0 |
|
|
72676 |
48416427 |
1 |
SCl2O2N3C13H15 |
AB2C2D3E13F15 |
-61.2 |
1.71 |
-9.36 |
-1.08 |
0 |
|
|
72677 |
48416428 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-68.31 |
6.29 |
-8.95 |
-0.14 |
0 |
|
|
72678 |
48416429 |
1 |
ClFN3O3C16H19 |
ABC3D3E16F19 |
-154.64 |
1.63 |
-9.36 |
-0.76 |
0 |
|
|
72679 |
48416430 |
1 |
O4N5C19H29 |
A4B5C19D29 |
-187.55 |
4.56 |
-9.46 |
0.34 |
0 |
|
|
72680 |
48416431 |
1 |
O2N7C18H25 |
A2B7C18D25 |
-28.59 |
3.73 |
-9.31 |
-1.1 |
0 |
|
|
72681 |
48416432 |
4 |
NOC5H6 |
ABC5D6 |
-150.68 |
10.19 |
-9.14 |
-1.62 |
0 |
|
|
72682 |
48416433 |
1 |
FN3O3C22H24 |
AB3C3D22E24 |
-126.12 |
3.7 |
-9.15 |
-0.27 |
0 |
|
|
72683 |
48416434 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-123.51 |
5.5 |
-8.92 |
0.12 |
0 |
|
|
72684 |
48416435 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-100.39 |
8.3 |
-8.59 |
-0.4 |
0 |
|
|
72685 |
48416437 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-113.75 |
6.26 |
-8.84 |
0.35 |
0 |
|
|
72686 |
48416438 |
2 |
N2O2C9H13 |
A2B2C9D13 |
-179.31 |
4.57 |
-9.19 |
-0.01 |
0 |
|
|
72687 |
48416439 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-191.31 |
3.28 |
-9.23 |
-0.03 |
0 |
|
|
72688 |
48416440 |
2 |
N2O2C11H16 |
A2B2C11D16 |
-185.79 |
1.69 |
-9.18 |
-0.17 |
0 |
|
|
72689 |
48416441 |
1 |
ClO3N4C20H27 |
AB3C4D20E27 |
-136.04 |
4.56 |
-9.19 |
-0.92 |
0 |
|
|
72690 |
48416442 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-80.52 |
7.2 |
-9.05 |
-0.46 |
0 |
|
|
72691 |
48416444 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-117.49 |
10.36 |
-8.74 |
-0.02 |
0 |
|
|
72692 |
48416445 |
1 |
SO2N3C22H25 |
AB2C3D22E25 |
-37.9 |
6.91 |
-8.65 |
-0.3 |
0 |
|
|
72693 |
48416446 |
1 |
FO3N4C19H23 |
AB3C4D19E23 |
-152.07 |
3.66 |
-8.9 |
-0.19 |
0 |
|
|
72694 |
48416447 |
1 |
SO3N5C20H23 |
AB3C5D20E23 |
-77.74 |
9.83 |
-8.75 |
-1.13 |
0 |
|
|
72695 |
48416448 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-150.37 |
10.18 |
-9.21 |
0.48 |
0 |
|
|
72696 |
48416449 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-130.53 |
6.14 |
-8.8 |
0.21 |
0 |
|
|
72697 |
48416450 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-123.95 |
12.23 |
-8.81 |
0.32 |
0 |
|
|
72698 |
48416451 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-107.95 |
6.54 |
-8.64 |
-0.21 |
0 |
|
|
72699 |
48416452 |
1 |
O2N6C17H20 |
A2B6C17D20 |
6.71 |
2.66 |
-9.29 |
-0.96 |
0 |
|
|
72700 |
48416453 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-154.04 |
5.97 |
-9.12 |
-0.21 |
0 |
|
|
72701 |
48416454 |
1 |
O2N6C15H18 |
A2B6C15D18 |
-2.55 |
1.94 |
-9.33 |
-1.17 |
0 |
|
|
72702 |
48416455 |
2 |
ON3C10H13 |
AB3C10D13 |
-23.25 |
7.47 |
-9.17 |
-0.72 |
0 |
|
|
72703 |
48416456 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-120.11 |
6.1 |
-9.41 |
-0.88 |
0 |
|
|
72704 |
48416457 |
1 |
N4O4C17H24 |
A4B4C17D24 |
-146.56 |
4.84 |
-9.35 |
-0.31 |
0 |
|
|
72705 |
48416458 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-119.34 |
4.41 |
-9.57 |
-0.15 |
0 |
|
|
72706 |
48416459 |
1 |
SO3N4C17H24 |
AB3C4D17E24 |
-112.92 |
6.8 |
-9.06 |
-0.41 |
0 |
|
|
72707 |
48416460 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-160.01 |
7.38 |
-8.71 |
-0.23 |
0 |
|
|
72708 |
48416461 |
1 |
SO2N5C21H23 |
AB2C5D21E23 |
2.85 |
6.03 |
-8.64 |
-0.85 |
0 |
|
|
72709 |
48416462 |
1 |
SN4O4C19H26 |
AB4C4D19E26 |
-144.66 |
3.87 |
-9.41 |
-0.94 |
0 |
|
|
72710 |
48416463 |
1 |
FO2N4H23C24 |
AB2C4D23E24 |
-57.59 |
8.39 |
-9.3 |
-1.12 |
0 |
|
|
72711 |
48416464 |
1 |
SN4O4C19H28 |
AB4C4D19E28 |
-154.99 |
5.04 |
-9.53 |
-0.78 |
0 |
|
|
72712 |
48416465 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-115.2 |
9.62 |
-9.05 |
-0.91 |
0 |
|
|
72713 |
48416466 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-149.19 |
2.73 |
-9.46 |
-0.68 |
0 |
|
|
72714 |
48416467 |
1 |
FN3O4C20H22 |
AB3C4D20E22 |
-148.7 |
6.24 |
-9.27 |
-0.44 |
0 |
|
|
72715 |
48416468 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-132.75 |
2.58 |
-8.88 |
0.0 |
0 |
|
|
72716 |
48416469 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-130.46 |
5.91 |
-9.13 |
0.79 |
0 |
|
|
72717 |
48416470 |
4 |
NOC4H5 |
ABC4D5 |
-75.22 |
11.57 |
-9.6 |
-1.06 |
0 |
|
|
72718 |
48416471 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-103.05 |
1.99 |
-9.17 |
0.92 |
0 |
|
|
72719 |
48416472 |
1 |
O2N4C25H26 |
A2B4C25D26 |
-21.29 |
4.72 |
-9.14 |
-1.09 |
0 |
|
|
72720 |
48416473 |
1 |
O2N4C23H28 |
A2B4C23D28 |
-56.41 |
5.43 |
-8.56 |
-0.2 |
0 |
|
|
72721 |
48416474 |
1 |
SO2N4C15H20 |
AB2C4D15E20 |
-55.4 |
8.01 |
-8.58 |
-0.49 |
0 |
|
|
72722 |
48416475 |
1 |
Cl3N3O3C16H18 |
A3B3C3D16E18 |
-122.7 |
1.97 |
-9.34 |
-1.0 |
0 |
|
|
72723 |
48416476 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-94.57 |
3.64 |
-9.36 |
-1.29 |
0 |
|
|
72724 |
48416477 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-110.97 |
0.53 |
-8.8 |
0.3 |
0 |
|
|
72725 |
48416478 |
2 |
N2O2C9H13 |
A2B2C9D13 |
-185.28 |
7.33 |
-9.2 |
-0.19 |
0 |
|
|
72726 |
48416479 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-64.14 |
8.03 |
-8.53 |
0.0 |
0 |
|
|
72727 |
48416481 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-81.47 |
3.68 |
-9.3 |
-0.26 |
0 |
|
|
72728 |
48416482 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-68.6 |
5.28 |
-9.11 |
-0.48 |
0 |
|
|
72729 |
48416483 |
1 |
Cl2O2N3C16H19 |
A2B2C3D16E19 |
-88.49 |
1.39 |
-9.33 |
-0.43 |
0 |
|
|
72730 |
48416484 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-137.37 |
5.54 |
-8.41 |
0.54 |
0 |
|
|
72731 |
48416485 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-154.37 |
0.8 |
-8.23 |
0.32 |
0 |
|
|
72732 |
48416486 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-123.67 |
6.2 |
-8.69 |
0.53 |
0 |
|
|
72733 |
48416487 |
1 |
ClN3O3C22H24 |
AB3C3D22E24 |
-83.24 |
7.2 |
-9.12 |
-0.32 |
0 |
|
|
72734 |
48416488 |
1 |
ClN3O3C22H24 |
AB3C3D22E24 |
-87.85 |
5.28 |
-9.33 |
-0.24 |
0 |
|
|
72735 |
48416489 |
1 |
FN3O3C22H24 |
AB3C3D22E24 |
-125.01 |
4.11 |
-9.2 |
-0.28 |
0 |
|
|
72736 |
48416491 |
1 |
FN3O3C16H20 |
AB3C3D16E20 |
-149.75 |
5.05 |
-9.42 |
-0.47 |
0 |
|
|
72737 |
48416492 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-116.05 |
4.89 |
-8.98 |
-0.22 |
0 |
|
|
72738 |
48416493 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-114.92 |
3.33 |
-9.38 |
-0.57 |
0 |
|
|
72739 |
48416494 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-149.54 |
4.89 |
-8.67 |
-0.19 |
0 |
|
|
72740 |
48416495 |
1 |
N3O5C20H29 |
A3B5C20D29 |
-189.01 |
5.92 |
-8.67 |
0.24 |
0 |
|
|
72741 |
48416496 |
1 |
BrN3O3C15H18 |
AB3C3D15E18 |
-107.83 |
9.31 |
-9.1 |
-0.34 |
0 |
|
|
72742 |
48416497 |
1 |
ClN3O3C15H18 |
AB3C3D15E18 |
-118.67 |
7.26 |
-9.02 |
-0.72 |
0 |
|
|
72743 |
48416498 |
1 |
SO2N4C22H22 |
AB2C4D22E22 |
-6.06 |
2.05 |
-9.12 |
-1.19 |
0 |
|
|
72744 |
48416499 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-78.79 |
6.76 |
-8.98 |
-0.55 |
0 |
|
|
72745 |
48416500 |
1 |
O4N5C17H27 |
A4B5C17D27 |
-189.08 |
5.43 |
-9.41 |
0.18 |
0 |
|
|
72746 |
48416501 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-102.91 |
5.6 |
-9.2 |
-0.22 |
0 |
|
|
72747 |
48416502 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-140.2 |
5.19 |
-9.32 |
-0.44 |
0 |
|
|
72748 |
48416503 |
1 |
SO2N7C18H25 |
AB2C7D18E25 |
-17.81 |
12.17 |
-8.39 |
-0.55 |
0 |
|
|
72749 |
48416504 |
1 |
ClO2N4C14H17 |
AB2C4D14E17 |
-55.97 |
6.17 |
-9.39 |
-0.9 |
0 |
|
|
72750 |
48416505 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-78.4 |
5.05 |
-8.98 |
-0.76 |
0 |
|
|
72751 |
48416506 |
1 |
O2N6C17H20 |
A2B6C17D20 |
-1.35 |
6.89 |
-9.48 |
-1.16 |
0 |