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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
75552 |
48423640 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-105.31 |
3.8 |
-8.58 |
1.07 |
0 |
|
|
75553 |
48423651 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-64.72 |
4.18 |
-9.03 |
-0.44 |
0 |
|
|
75554 |
48423652 |
1 |
NO2C15H29 |
AB2C15D29 |
-111.65 |
2.7 |
-9.29 |
0.97 |
0 |
|
|
75555 |
48423653 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-47.97 |
3.5 |
-9.45 |
-0.03 |
0 |
|
|
75556 |
48423654 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-184.84 |
4.46 |
-9.34 |
0.32 |
0 |
|
|
75557 |
48423655 |
1 |
NF2O4C19H25 |
AB2C4D19E25 |
-213.06 |
6.04 |
-9.04 |
-0.38 |
0 |
|
|
75558 |
48423657 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-171.69 |
6.16 |
-9.13 |
0.25 |
0 |
|
|
75559 |
48423659 |
3 |
NOC7H11 |
ABC7D11 |
-139.52 |
3.77 |
-8.65 |
0.35 |
0 |
|
|
75560 |
48423660 |
1 |
NO4C20H31 |
AB4C20D31 |
-154.84 |
3.11 |
-8.2 |
0.31 |
0 |
|
|
75561 |
48423661 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-91.33 |
5.35 |
-8.98 |
-0.19 |
0 |
|
|
75562 |
48423662 |
1 |
ClN2O3C20H23 |
AB2C3D20E23 |
-115.9 |
1.65 |
-9.51 |
-0.09 |
0 |
|
|
75563 |
48423664 |
1 |
NO3C16H29 |
AB3C16D29 |
-148.02 |
4.11 |
-9.57 |
1.07 |
0 |
|
|
75564 |
48423665 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-21.83 |
7.52 |
-9.02 |
-0.71 |
0 |
|
|
75565 |
48423666 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-45.65 |
5.36 |
-9.38 |
-1.08 |
0 |
|
|
75566 |
48423667 |
3 |
NOC7H11 |
ABC7D11 |
-142.05 |
4.29 |
-8.74 |
0.3 |
0 |
|
|
75567 |
48423669 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-17.84 |
3.57 |
-9.27 |
-0.84 |
0 |
|
|
75568 |
48423670 |
1 |
NO3C12H23 |
AB3C12D23 |
-133.6 |
1.27 |
-9.66 |
1.02 |
0 |
|
|
75569 |
48423671 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-73.61 |
6.25 |
-9.8 |
-0.23 |
0 |
|
|
75570 |
48423674 |
1 |
ClNO3C15H20 |
ABC3D15E20 |
-107.56 |
2.67 |
-9.24 |
-0.18 |
0 |
|
|
75571 |
48423675 |
1 |
NO3C17H25 |
AB3C17D25 |
-105.81 |
2.82 |
-8.42 |
0.56 |
0 |
|
|
75572 |
48423676 |
1 |
BrN2O3C20H23 |
AB2C3D20E23 |
-104.48 |
3.69 |
-9.47 |
-0.26 |
0 |
|
|
75573 |
48423677 |
1 |
BrNO2C17H24 |
ABC2D17E24 |
-69.96 |
1.35 |
-9.47 |
-0.19 |
0 |
|
|
75574 |
48423678 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-143.61 |
0.87 |
-9.17 |
0.06 |
0 |
|
|
75575 |
48423679 |
1 |
FN2O2C17H21 |
AB2C2D17E21 |
-72.98 |
5.9 |
-9.68 |
-0.98 |
0 |
|
|
75576 |
48423680 |
2 |
NO2C10H12 |
AB2C10D12 |
-132.23 |
3.04 |
-9.36 |
0.21 |
0 |
|
|
75577 |
48423684 |
2 |
NOC9H17 |
ABC9D17 |
-110.13 |
3.0 |
-8.47 |
1.12 |
0 |
|
|
75578 |
48423686 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-89.24 |
3.28 |
-8.6 |
0.1 |
0 |
|
|
75579 |
48423688 |
1 |
SN2O4C14H28 |
AB2C4D14E28 |
-186.87 |
6.79 |
-9.64 |
0.44 |
0 |
|
|
75580 |
48423693 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-182.5 |
6.81 |
-9.45 |
0.28 |
0 |
|
|
75581 |
48423694 |
1 |
N2O4C19H34 |
A2B4C19D34 |
-196.43 |
5.05 |
-9.16 |
1.02 |
0 |
|
|
75582 |
48423695 |
1 |
N2F3O4C20H21 |
A2B3C4D20E21 |
-290.33 |
2.22 |
-8.86 |
-0.29 |
0 |
|
|
75583 |
48423699 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-108.65 |
2.16 |
-8.56 |
1.0 |
0 |
|
|
75584 |
48423700 |
1 |
N2O3C15H28 |
A2B3C15D28 |
-132.89 |
4.43 |
-8.68 |
1.08 |
0 |
|
|
75585 |
48423701 |
1 |
NO4C20H29 |
AB4C20D29 |
-146.88 |
5.2 |
-8.32 |
0.19 |
0 |
|
|
75586 |
48423702 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-164.55 |
0.9 |
-8.86 |
0.18 |
0 |
|
|
75587 |
48423703 |
1 |
FN2O3C21H23 |
AB2C3D21E23 |
-117.87 |
1.75 |
-9.16 |
-0.3 |
0 |
|
|
75588 |
48423705 |
1 |
NO3C16H23 |
AB3C16D23 |
-102.37 |
2.95 |
-8.9 |
0.24 |
0 |
|
|
75589 |
48423707 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-52.52 |
7.16 |
-8.84 |
-1.27 |
0 |
|
|
75590 |
48423708 |
1 |
N2O3C15H28 |
A2B3C15D28 |
-149.76 |
5.09 |
-9.35 |
0.98 |
0 |
|
|
75591 |
48423709 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-139.23 |
2.62 |
-9.36 |
-0.35 |
0 |
|
|
75592 |
48423710 |
1 |
N4O5C21H24 |
A4B5C21D24 |
-89.69 |
4.43 |
-8.95 |
-1.34 |
0 |
|
|
75593 |
48423711 |
2 |
NOC11H17 |
ABC11D17 |
-78.44 |
3.62 |
-8.73 |
0.21 |
0 |
|
|
75594 |
48423712 |
1 |
F3N3O4C16H20 |
A3B3C4D16E20 |
-319.49 |
4.02 |
-9.66 |
-0.27 |
0 |
|
|
75595 |
48423716 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-77.12 |
2.52 |
-8.63 |
-0.2 |
0 |
|
|
75596 |
48423717 |
2 |
ON2C9H14 |
AB2C9D14 |
-48.63 |
2.87 |
-8.23 |
0.14 |
0 |
|
|
75597 |
48423718 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-111.39 |
4.25 |
-8.98 |
0.26 |
0 |
|
|
75598 |
48423719 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-110.09 |
2.48 |
-8.74 |
0.1 |
0 |
|
|
75599 |
48423721 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-57.61 |
4.85 |
-8.27 |
0.18 |
0 |
|
|
75600 |
48423722 |
2 |
NO2C10H12 |
AB2C10D12 |
-136.43 |
3.57 |
-8.92 |
0.06 |
0 |
|
|
75601 |
48423723 |
1 |
NO3C16H23 |
AB3C16D23 |
-104.23 |
3.07 |
-8.86 |
0.14 |
0 |
|
|
75602 |
48423725 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-165.91 |
5.38 |
-8.85 |
-0.33 |
0 |
|
|
75603 |
48423726 |
1 |
NO3C14H25 |
AB3C14D25 |
-134.84 |
3.46 |
-9.51 |
0.76 |
0 |
|
|
75604 |
48423728 |
1 |
NF2O4C15H19 |
AB2C4D15E19 |
-246.24 |
3.29 |
-8.73 |
-0.23 |
0 |
|
|
75605 |
48423729 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-180.86 |
5.86 |
-8.86 |
-0.14 |
0 |
|
|
75606 |
48423731 |
1 |
FNO2C19H26 |
ABC2D19E26 |
-107.71 |
3.59 |
-9.51 |
0.0 |
0 |
|
|
75607 |
48423732 |
2 |
NOC10H15 |
ABC10D15 |
-70.16 |
2.32 |
-8.74 |
0.45 |
0 |
|
|
75608 |
48423733 |
1 |
N3O5C20H25 |
A3B5C20D25 |
-165.99 |
0.54 |
-9.25 |
-0.18 |
0 |
|
|
75609 |
48423735 |
1 |
N3O5C21H23 |
A3B5C21D23 |
-167.74 |
6.21 |
-9.32 |
-0.42 |
0 |
|
|
75610 |
48423736 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-98.85 |
1.37 |
-9.12 |
0.22 |
0 |
|
|
75611 |
48423737 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-68.81 |
3.48 |
-8.84 |
0.87 |
0 |
|
|
75612 |
48423738 |
1 |
N3O4C24H25 |
A3B4C24D25 |
-95.27 |
2.06 |
-9.41 |
-0.45 |
0 |
|
|
75613 |
48423739 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-153.36 |
3.61 |
-9.21 |
0.31 |
0 |
|
|
75614 |
48423740 |
1 |
N2O3C15H28 |
A2B3C15D28 |
-116.82 |
3.9 |
-8.81 |
0.82 |
0 |
|
|
75615 |
48423741 |
2 |
NO2C9H13 |
AB2C9D13 |
-163.9 |
4.64 |
-9.58 |
0.13 |
0 |
|
|
75616 |
48423744 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-151.45 |
3.24 |
-8.37 |
-0.18 |
0 |
|
|
75617 |
48423746 |
1 |
NO3C18H27 |
AB3C18D27 |
-119.63 |
4.55 |
-9.04 |
0.04 |
0 |
|
|
75618 |
48423747 |
1 |
N2O4C15H26 |
A2B4C15D26 |
-180.28 |
6.54 |
-9.61 |
0.39 |
0 |
|
|
75619 |
48423749 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-159.62 |
6.12 |
-9.15 |
0.31 |
0 |
|
|
75620 |
48423750 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-126.81 |
3.6 |
-8.64 |
0.74 |
0 |
|
|
75621 |
48423751 |
1 |
ClNO3C15H20 |
ABC3D15E20 |
-104.92 |
1.0 |
-8.89 |
-0.25 |
0 |
|
|
75622 |
48423753 |
1 |
N2O5C21H24 |
A2B5C21D24 |
-122.46 |
3.33 |
-8.84 |
-0.42 |
0 |
|
|
75623 |
48423754 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-107.25 |
2.9 |
-9.13 |
-0.07 |
0 |
|
|
75624 |
48423755 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-177.76 |
6.58 |
-9.47 |
0.27 |
0 |
|
|
75625 |
48423756 |
1 |
N2O3C17H30 |
A2B3C17D30 |
-153.2 |
3.46 |
-9.48 |
0.7 |
0 |
|
|
75626 |
48423758 |
1 |
FSN2O3C20H21 |
ABC2D3E20F21 |
-141.95 |
2.26 |
-8.64 |
-0.44 |
0 |
|
|
75627 |
48423759 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-11.38 |
3.06 |
-8.65 |
-0.69 |
0 |
|
|
75628 |
48423760 |
1 |
NO2C16H19 |
AB2C16D19 |
-2.13 |
3.18 |
-9.32 |
-0.27 |
0 |
|
|
75629 |
48423761 |
1 |
NO2F3C17H18 |
AB2C3D17E18 |
-164.79 |
4.69 |
-9.78 |
-0.85 |
0 |
|
|
75630 |
48423762 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-130.58 |
5.35 |
-8.51 |
-0.08 |
0 |
|
|
75631 |
48423763 |
1 |
NO4C17H25 |
AB4C17D25 |
-147.69 |
4.58 |
-8.88 |
0.1 |
0 |
|
|
75632 |
48423765 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-116.89 |
1.6 |
-8.22 |
-0.02 |
0 |
|
|
75633 |
48423766 |
1 |
N3O5C19H27 |
A3B5C19D27 |
-222.45 |
2.91 |
-9.57 |
0.0 |
0 |
|
|
75634 |
48423770 |
1 |
NO4C19H29 |
AB4C19D29 |
-153.38 |
5.83 |
-8.36 |
0.15 |
0 |
|
|
75635 |
48423773 |
1 |
ClNO2C13H16 |
ABC2D13E16 |
-62.42 |
1.69 |
-8.97 |
-0.29 |
0 |
|
|
75636 |
48423774 |
1 |
ClO2F3N3C17H21 |
AB2C3D3E17F21 |
-208.78 |
2.15 |
-9.19 |
-1.19 |
0 |
|
|
75637 |
48423775 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-54.48 |
4.2 |
-8.66 |
0.08 |
0 |
|
|
75638 |
48423776 |
1 |
N2O2F3C18H23 |
A2B2C3D18E23 |
-222.02 |
7.8 |
-8.9 |
-0.48 |
0 |
|
|
75639 |
48423777 |
1 |
SN3O3C19H19 |
AB3C3D19E19 |
-70.39 |
4.18 |
-8.77 |
-0.61 |
0 |
|
|
75640 |
48423778 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-38.0 |
2.59 |
-8.74 |
-0.61 |
0 |
|
|
75641 |
48423779 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-55.2 |
3.1 |
-9.21 |
-0.78 |
0 |
|
|
75642 |
48423780 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-19.03 |
6.13 |
-9.01 |
-0.64 |
0 |
|
|
75643 |
48423781 |
1 |
SN2O2C17H22 |
AB2C2D17E22 |
-31.0 |
3.99 |
-9.15 |
-0.84 |
0 |
|
|
75644 |
48423783 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-123.04 |
2.23 |
-8.74 |
-0.28 |
0 |
|
|
75645 |
48423785 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-82.84 |
4.14 |
-8.06 |
-0.15 |
0 |
|
|
75646 |
48423790 |
1 |
FNSO2C16H20 |
ABCD2E16F20 |
-107.67 |
2.45 |
-8.66 |
-0.52 |
0 |
|
|
75647 |
48423792 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-30.04 |
3.24 |
-9.08 |
-0.68 |
0 |
|
|
75648 |
48423793 |
1 |
N2F3O3H19C21 |
A2B3C3D19E21 |
-198.73 |
4.5 |
-9.72 |
-0.87 |
0 |
|
|
75649 |
48423795 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-132.21 |
2.32 |
-8.86 |
0.31 |
0 |
|
|
75650 |
48423798 |
1 |
N2O5C21H26 |
A2B5C21D26 |
-179.85 |
4.29 |
-8.95 |
0.06 |
0 |
|
|
75651 |
48423799 |
1 |
BrO2N3C16H22 |
AB2C3D16E22 |
-38.76 |
0.87 |
-8.76 |
-0.4 |
0 |