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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420617 |
135114370 |
1 |
SN2O3C20H32 |
AB2C3D20E32 |
-135.85 |
9.16 |
-8.78 |
-0.47 |
0 |
|
|
420618 |
135114377 |
1 |
SF2N2O4C14H18 |
AB2C2D4E14F18 |
-235.45 |
4.92 |
-9.87 |
-0.74 |
0 |
|
|
420619 |
135114378 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-28.08 |
9.33 |
-8.33 |
-0.26 |
0 |
|
|
420620 |
135114379 |
1 |
O2N5C19H21 |
A2B5C19D21 |
-4.55 |
5.25 |
-8.92 |
-0.9 |
0 |
|
|
420621 |
135114380 |
1 |
N2F3O3C14H23 |
A2B3C3D14E23 |
-324.62 |
1.84 |
-9.03 |
0.7 |
0 |
|
|
420622 |
135114387 |
1 |
NF2O3C18H23 |
AB2C3D18E23 |
-208.15 |
4.63 |
-9.13 |
-0.38 |
0 |
|
|
420623 |
135114435 |
1 |
OSN5C18H23 |
ABC5D18E23 |
18.69 |
2.54 |
-8.89 |
-0.28 |
0 |
|
|
420624 |
135114457 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-126.99 |
3.85 |
-8.69 |
0.23 |
0 |
|
|
420625 |
135114458 |
1 |
FO2N4C17H23 |
AB2C4D17E23 |
-82.98 |
2.3 |
-9.14 |
0.01 |
0 |
|
|
420626 |
135114459 |
1 |
NSF3O4C16H20 |
ABC3D4E16F20 |
-321.16 |
3.28 |
-9.68 |
-1.12 |
0 |
|
|
420627 |
135114469 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-58.99 |
3.57 |
-8.81 |
-0.88 |
0 |
|
|
420628 |
135114470 |
1 |
SN2O6C17H20 |
AB2C6D17E20 |
-192.6 |
10.7 |
-9.84 |
-1.3 |
0 |
|
|
420629 |
135114471 |
2 |
ON2C9H11 |
AB2C9D11 |
-36.44 |
6.95 |
-8.54 |
-0.45 |
0 |
|
|
420630 |
135114472 |
2 |
NO2C8H10 |
AB2C8D10 |
-102.64 |
2.77 |
-9.51 |
-1.1 |
0 |
|
|
420631 |
135114494 |
1 |
O3N4C19H20 |
A3B4C19D20 |
-21.13 |
4.7 |
-10.14 |
-1.37 |
0 |
|
|
420632 |
135114495 |
2 |
N2O2H8C9 |
A2B2C8D9 |
-47.55 |
4.53 |
-9.22 |
-1.38 |
0 |
|
|
420633 |
135114496 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-75.77 |
9.85 |
-9.02 |
-0.68 |
0 |
|
|
420634 |
135114503 |
1 |
NOC20H31 |
ABC20D31 |
-57.08 |
1.37 |
-8.44 |
0.59 |
0 |
|
|
420635 |
135114521 |
1 |
SN3O6C20H27 |
AB3C6D20E27 |
-201.09 |
4.77 |
-9.05 |
-0.81 |
0 |
|
|
420636 |
135114522 |
1 |
NF3O4C22H22 |
AB3C4D22E22 |
-286.91 |
5.82 |
-9.18 |
-0.52 |
0 |
|
|
420637 |
135114523 |
1 |
N2O4C25H38 |
A2B4C25D38 |
-168.22 |
3.54 |
-8.41 |
0.03 |
0 |
|
|
420638 |
135114525 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-73.46 |
4.61 |
-9.1 |
-0.32 |
0 |
|
|
420639 |
135114529 |
1 |
SN3O5C17H21 |
AB3C5D17E21 |
-113.63 |
0.94 |
-9.57 |
-0.75 |
0 |
|
|
420641 |
135114555 |
1 |
ClFN2O2C16H20 |
ABC2D2E16F20 |
-145.11 |
5.42 |
-9.02 |
-0.42 |
0 |
|
|
420642 |
135114563 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-99.11 |
6.47 |
-9.16 |
-0.55 |
0 |
|
|
420643 |
135114564 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-93.45 |
6.42 |
-9.0 |
-0.21 |
0 |
|
|
420644 |
135114567 |
1 |
NO3C22H25 |
AB3C22D25 |
-108.47 |
6.43 |
-9.46 |
-0.21 |
0 |
|
|
420645 |
135114568 |
1 |
FN3O3C15H16 |
AB3C3D15E16 |
-102.12 |
4.28 |
-9.19 |
-0.76 |
0 |
|
|
420647 |
135114580 |
1 |
SCl2N2O3C16H22 |
AB2C2D3E16F22 |
-125.81 |
2.37 |
-8.92 |
-1.25 |
0 |
|
|
420648 |
135114581 |
1 |
SO2N5C19H19 |
AB2C5D19E19 |
43.04 |
2.96 |
-9.15 |
-0.73 |
0 |
|
|
420649 |
135114582 |
1 |
NO3C16H23 |
AB3C16D23 |
-131.79 |
5.76 |
-9.3 |
0.31 |
0 |
|
|
420650 |
135114583 |
1 |
OF3N5C21H22 |
AB3C5D21E22 |
-118.29 |
5.92 |
-8.93 |
-0.9 |
0 |
|
|
420651 |
135114584 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-151.48 |
6.61 |
-9.03 |
-0.82 |
0 |
|
|
420652 |
135114585 |
1 |
F2O2N4C21H26 |
A2B2C4D21E26 |
-55.98 |
5.24 |
-8.81 |
-0.03 |
0 |
|
|
420653 |
135114605 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-119.15 |
4.3 |
-9.27 |
0.52 |
0 |
|
|
420654 |
135114611 |
1 |
O4N7C27H37 |
A4B7C27D37 |
-113.35 |
5.18 |
-9.51 |
-0.32 |
0 |
|
|
420655 |
135114618 |
1 |
OF2N5C23H23 |
AB2C5D23E23 |
-48.24 |
2.72 |
-9.33 |
-0.88 |
0 |
|
|
420656 |
135114619 |
1 |
NSO2C21H25 |
ABC2D21E25 |
-58.75 |
4.02 |
-8.9 |
-0.09 |
0 |
|
|
420658 |
135114622 |
1 |
NO3C14H25 |
AB3C14D25 |
-151.91 |
3.14 |
-8.97 |
1.47 |
0 |
|
|
420659 |
135114623 |
1 |
ON4C12H20 |
AB4C12D20 |
-29.6 |
2.55 |
-8.73 |
0.21 |
0 |
|
|
420660 |
135114624 |
1 |
NS2O3C14H21 |
AB2C3D14E21 |
-104.06 |
5.27 |
-9.38 |
-0.93 |
0 |
|
|
420661 |
135114625 |
1 |
ON5C15H23 |
AB5C15D23 |
12.38 |
3.29 |
-9.03 |
0.24 |
0 |
|
|
420662 |
135114626 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-74.75 |
5.78 |
-9.1 |
0.26 |
0 |
|
|
420663 |
135114629 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-16.93 |
2.96 |
-9.2 |
-0.79 |
0 |
|
|
420664 |
135114630 |
3 |
NOC6H7 |
ABC6D7 |
-69.41 |
6.41 |
-8.92 |
-0.98 |
0 |
|
|
420665 |
135114631 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-21.74 |
5.58 |
-9.4 |
-0.72 |
0 |
|
|
420666 |
135114632 |
1 |
O3N5C15H17 |
A3B5C15D17 |
-43.01 |
4.97 |
-9.86 |
-0.46 |
0 |
|
|
420667 |
135114633 |
1 |
ON4C20H26 |
AB4C20D26 |
0.83 |
4.85 |
-8.38 |
-0.3 |
0 |
|
|
420668 |
135114637 |
1 |
O2N6C19H28 |
A2B6C19D28 |
-0.44 |
2.82 |
-9.1 |
-0.42 |
0 |
|
|
420669 |
135114638 |
1 |
ON5C19H25 |
AB5C19D25 |
29.8 |
2.71 |
-8.86 |
-0.31 |
0 |
|
|
420670 |
135114640 |
1 |
ON5C16H17 |
AB5C16D17 |
67.77 |
2.13 |
-9.03 |
-1.03 |
0 |
|
|
420671 |
135114644 |
1 |
N2O3C20H32 |
A2B3C20D32 |
-147.44 |
3.81 |
-8.96 |
0.2 |
0 |
|
|
420672 |
135114646 |
1 |
F2N2O2C19H26 |
A2B2C2D19E26 |
-168.33 |
5.03 |
-8.61 |
-0.36 |
0 |
|
|
420673 |
135114647 |
1 |
F3N3O3C18H20 |
A3B3C3D18E20 |
-195.22 |
3.4 |
-9.27 |
-1.18 |
0 |
|
|
420675 |
135114649 |
2 |
ON2C10H11 |
AB2C10D11 |
-14.29 |
4.24 |
-8.37 |
-1.0 |
0 |
|
|
420676 |
135114650 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-67.0 |
4.62 |
-8.68 |
-0.14 |
0 |
|
|
420677 |
135114651 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-196.32 |
5.37 |
-9.19 |
-0.17 |
0 |
|
|
420678 |
135114654 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-19.87 |
7.31 |
-9.24 |
-0.65 |
0 |
|
|
420679 |
135114655 |
1 |
S2O7N8C37H52 |
A2B7C8D37E52 |
-277.58 |
6.37 |
-8.41 |
-1.03 |
0 |
|
|
420680 |
135114656 |
1 |
N2O3C25H30 |
A2B3C25D30 |
-90.27 |
6.9 |
-8.52 |
-0.07 |
0 |
|
|
420681 |
135114657 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-139.38 |
3.15 |
-8.63 |
-0.25 |
0 |
|
|
420682 |
135114659 |
2 |
N2C13H15 |
A2B13C15 |
72.31 |
4.68 |
-8.73 |
-0.67 |
0 |
|
|
420683 |
135114662 |
1 |
ON2C18H24 |
AB2C18D24 |
-43.19 |
1.07 |
-8.26 |
-0.13 |
0 |
|
|
420684 |
135114663 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-33.05 |
3.12 |
-9.65 |
-0.63 |
0 |
|
|
420685 |
135114664 |
1 |
O2N5C17H19 |
A2B5C17D19 |
44.41 |
4.04 |
-9.18 |
-1.01 |
0 |
|
|
420686 |
135114665 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-52.21 |
5.2 |
-7.99 |
-0.38 |
0 |
|
|
420687 |
135114667 |
1 |
N6C17H22 |
A6B17C22 |
59.68 |
3.47 |
-8.81 |
-0.16 |
0 |
|
|
420688 |
135114668 |
1 |
FON3C20H24 |
ABC3D20E24 |
-41.06 |
2.63 |
-9.35 |
-0.22 |
0 |
|
|
420689 |
135114669 |
1 |
SO3N4C18H18 |
AB3C4D18E18 |
-37.33 |
4.38 |
-8.8 |
-0.53 |
0 |
|
|
420690 |
135114670 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-173.17 |
7.07 |
-8.57 |
0.37 |
0 |
|
|
420691 |
135114671 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-125.46 |
3.23 |
-9.56 |
-0.5 |
0 |
|
|
420692 |
135114672 |
1 |
S2O6N7C37H43 |
A2B6C7D37E43 |
-174.97 |
9.34 |
-9.13 |
-1.27 |
0 |
|
|
420693 |
135114673 |
1 |
O2N5C16H19 |
A2B5C16D19 |
2.79 |
4.72 |
-9.01 |
-0.27 |
0 |
|
|
420694 |
135114674 |
1 |
NO2C19H27 |
AB2C19D27 |
-101.2 |
5.4 |
-9.07 |
0.47 |
0 |
|
|
420695 |
135114675 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-140.4 |
3.89 |
-9.67 |
0.21 |
0 |
|
|
420696 |
135114676 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-142.33 |
10.95 |
-8.82 |
-0.81 |
0 |
|
|
420697 |
135114677 |
2 |
ON3C9H12 |
AB3C9D12 |
-25.02 |
4.0 |
-8.61 |
-0.29 |
0 |
|
|
420698 |
135114678 |
1 |
ON3C16H23 |
AB3C16D23 |
-16.59 |
4.9 |
-8.65 |
0.2 |
0 |
|
|
420699 |
135114679 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-45.4 |
4.37 |
-9.09 |
0.28 |
0 |
|
|
420700 |
135114680 |
1 |
SO6N9C38H47 |
AB6C9D38E47 |
-166.96 |
12.67 |
-8.36 |
-1.24 |
0 |
|
|
420701 |
135114681 |
1 |
FO2N3C15H20 |
AB2C3D15E20 |
-82.42 |
2.12 |
-8.98 |
-0.09 |
0 |
|
|
420702 |
135114682 |
1 |
SO4N6C32H42 |
AB4C6D32E42 |
-155.51 |
8.08 |
-8.44 |
-0.85 |
0 |
|
|
420703 |
135114683 |
1 |
ON6C18H28 |
AB6C18D28 |
25.85 |
7.23 |
-8.99 |
0.63 |
0 |
|
|
420704 |
135114684 |
1 |
OSN3C16H21 |
ABC3D16E21 |
-3.98 |
2.19 |
-9.01 |
-0.21 |
0 |
|
|
420705 |
135114685 |
1 |
ClO2N4C15H21 |
AB2C4D15E21 |
0.29 |
4.48 |
-9.05 |
0.08 |
0 |
|
|
420706 |
135114686 |
2 |
NSO2C8H12 |
ABC2D8E12 |
-160.55 |
5.69 |
-8.35 |
-0.13 |
0 |
|
|
420707 |
135114687 |
4 |
NOC5H7 |
ABC5D7 |
-95.0 |
7.11 |
-8.52 |
-0.66 |
0 |
|
|
420708 |
135114688 |
1 |
SN6O6C32H40 |
AB6C6D32E40 |
-201.45 |
6.51 |
-9.54 |
-1.41 |
0 |
|
|
420709 |
135114689 |
1 |
SO3N5C20H33 |
AB3C5D20E33 |
-116.25 |
5.3 |
-8.79 |
0.12 |
0 |
|
|
420710 |
135114690 |
1 |
ClN4O6C32H43 |
AB4C6D32E43 |
-213.51 |
10.21 |
-8.33 |
0.03 |
0 |
|
|
420711 |
135114691 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-59.69 |
6.51 |
-9.3 |
-0.3 |
0 |
|
|
420712 |
135114692 |
1 |
SO2F3N5H18C19 |
AB2C3D5E18F19 |
-133.57 |
6.16 |
-9.54 |
-1.69 |
0 |
|
|
420713 |
135114693 |
1 |
SN2O2C24H26 |
AB2C2D24E26 |
-40.32 |
3.46 |
-9.07 |
-0.65 |
0 |
|
|
420715 |
135114695 |
1 |
FSN3O5C17H20 |
ABC3D5E17F20 |
-215.63 |
8.18 |
-9.4 |
-1.2 |
0 |
|
|
420716 |
135114696 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-133.97 |
5.13 |
-9.54 |
-0.83 |
0 |
|
|
420717 |
135114697 |
1 |
ClN2O2C21H27 |
AB2C2D21E27 |
-48.14 |
3.41 |
-8.77 |
-0.6 |
0 |
|
|
420718 |
135114698 |
1 |
N7C16H25 |
A7B16C25 |
54.9 |
3.79 |
-8.21 |
0.45 |
0 |
|
|
420719 |
135114701 |
1 |
OSN6C12H16 |
ABC6D12E16 |
78.84 |
7.66 |
-10.02 |
-1.11 |
0 |
|
|
420720 |
135114702 |
1 |
ClNO3C20H24 |
ABC3D20E24 |
-123.94 |
3.4 |
-9.19 |
-1.01 |
0 |
|
|
420722 |
135114705 |
1 |
SO2N5C10H13 |
AB2C5D10E13 |
-22.3 |
5.43 |
-9.35 |
-0.92 |
0 |