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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
57631 |
22428251 |
1 |
SN4O5C29H30 |
AB4C5D29E30 |
-131.52 |
4.49 |
-9.14 |
-1.36 |
0 |
|
|
57632 |
22428252 |
1 |
SN4O5H26C29 |
AB4C5D26E29 |
-105.59 |
8.73 |
-9.04 |
-1.23 |
0 |
|
|
57633 |
22428264 |
1 |
SN4O6H24C28 |
AB4C6D24E28 |
-130.3 |
10.59 |
-8.84 |
-1.17 |
0 |
|
|
57634 |
22428686 |
1 |
FOSN3C23H24 |
ABCD3E23F24 |
-13.62 |
5.08 |
-9.09 |
-0.84 |
0 |
|
|
57635 |
22428871 |
1 |
OSCl2N3H21C22 |
ABC2D3E21F22 |
21.8 |
4.29 |
-9.12 |
-0.73 |
0 |
|
|
57636 |
22428872 |
1 |
OSCl2N3C23H23 |
ABC2D3E23F23 |
15.07 |
5.4 |
-9.02 |
-0.95 |
0 |
|
|
57637 |
22428884 |
1 |
OSCl2N3C21H21 |
ABC2D3E21F21 |
9.6 |
3.21 |
-8.57 |
-1.04 |
0 |
|
|
57638 |
22428885 |
1 |
SN3O3C26H31 |
AB3C3D26E31 |
-61.74 |
4.11 |
-8.54 |
-0.66 |
0 |
|
|
57639 |
22428913 |
1 |
FOSCl2N2H19C22 |
ABCD2E2F19G22 |
-18.2 |
2.96 |
-9.12 |
-1.76 |
0 |
|
|
57640 |
22429312 |
1 |
ClSN3O4H24C26 |
ABC3D4E24F26 |
-115.03 |
1.29 |
-8.4 |
-1.09 |
0 |
|
|
57641 |
22429313 |
1 |
ClSN3O5H24C26 |
ABC3D5E24F26 |
-154.87 |
4.64 |
-8.93 |
-1.17 |
0 |
|
|
57642 |
22429314 |
1 |
ClSN3O5H22C26 |
ABC3D5E22F26 |
-141.78 |
3.45 |
-8.47 |
-1.1 |
0 |
|
|
57643 |
22429315 |
1 |
SCl2N2O2H22C25 |
AB2C2D2E22F25 |
-52.48 |
7.02 |
-8.94 |
-0.94 |
0 |
|
|
57644 |
22429328 |
1 |
FSCl2N2O2H17C23 |
ABC2D2E2F17G23 |
-82.35 |
5.72 |
-8.95 |
-0.95 |
0 |
|
|
57645 |
22429542 |
1 |
ClFN3O3H25C31 |
ABC3D3E25F31 |
-92.32 |
7.43 |
-9.28 |
-0.94 |
0 |
|
|
57646 |
22429543 |
1 |
ClN3O3H26C31 |
AB3C3D26E31 |
-45.56 |
5.71 |
-9.27 |
-0.92 |
0 |
|
|
57647 |
22429544 |
1 |
F3N4O5H23C26 |
A3B4C5D23E26 |
-300.62 |
6.4 |
-9.46 |
-1.18 |
0 |
|
|
57648 |
22429611 |
1 |
N2O3H20C22 |
A2B3C20D22 |
-59.53 |
4.51 |
-9.2 |
-0.78 |
0 |
|
|
57649 |
22429616 |
1 |
ClN3O4H18C22 |
AB3C4D18E22 |
-101.04 |
2.17 |
-8.92 |
-0.99 |
0 |
|
|
57650 |
22429968 |
1 |
ClN3O3H26C31 |
AB3C3D26E31 |
-49.34 |
3.39 |
-9.16 |
-0.91 |
0 |
|
|
57651 |
22429969 |
1 |
ClN3O3H26C31 |
AB3C3D26E31 |
-49.25 |
6.82 |
-9.29 |
-0.98 |
0 |
|
|
57652 |
22429970 |
1 |
FN3O3H26C31 |
AB3C3D26E31 |
-86.04 |
7.37 |
-9.24 |
-0.91 |
0 |
|
|
57653 |
22429972 |
1 |
N3O3H29C32 |
A3B3C29D32 |
-48.14 |
8.37 |
-9.22 |
-0.87 |
0 |
|
|
57654 |
22429989 |
1 |
N4O5H20C23 |
A4B5C20D23 |
-126.39 |
3.45 |
-9.07 |
-1.21 |
0 |
|
|
57655 |
22429997 |
1 |
Cl2N4O5H18C23 |
A2B4C5D18E23 |
-140.2 |
4.35 |
-9.22 |
-1.13 |
0 |
|
|
57656 |
22430272 |
1 |
N2O3C27H36 |
A2B3C27D36 |
-57.2 |
2.5 |
-8.4 |
0.16 |
0 |
|
|
57657 |
22430755 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-21.5 |
10.38 |
-9.13 |
-1.23 |
0 |
|
|
57658 |
22430782 |
1 |
O2S2N3C9H11 |
A2B2C3D9E11 |
-63.02 |
2.97 |
-8.43 |
-1.13 |
0 |
|
|
57659 |
22430783 |
1 |
O2S2N3C15H15 |
A2B2C3D15E15 |
-33.17 |
3.41 |
-8.37 |
-1.12 |
0 |
|
|
57660 |
22431041 |
1 |
ClN3O3H20C25 |
AB3C3D20E25 |
-56.08 |
6.98 |
-8.23 |
-1.08 |
0 |
|
|
57661 |
22431043 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-96.6 |
5.86 |
-9.13 |
-1.01 |
0 |
|
|
57662 |
22431051 |
1 |
SO3N4H18C20 |
AB3C4D18E20 |
0.97 |
6.49 |
-8.81 |
-0.86 |
0 |
|
|
57663 |
22431815 |
1 |
ClO2N3C14H14 |
AB2C3D14E14 |
-16.71 |
2.33 |
-9.71 |
-0.91 |
0 |
|
|
57664 |
22431816 |
1 |
ClN3O4C20H20 |
AB3C4D20E20 |
-70.2 |
3.55 |
-8.44 |
-0.95 |
0 |
|
|
57665 |
22431817 |
1 |
ClN3O3H12C15 |
AB3C3D12E15 |
-19.01 |
1.27 |
-9.67 |
-1.08 |
0 |
|
|
57666 |
22431818 |
1 |
ClO2N3C17H20 |
AB2C3D17E20 |
-36.64 |
2.41 |
-9.72 |
-0.98 |
0 |
|
|
57667 |
22431824 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-34.08 |
2.65 |
-9.06 |
-0.76 |
0 |
|
|
57668 |
22431955 |
1 |
SN4O4C17H22 |
AB4C4D17E22 |
-84.77 |
4.84 |
-8.91 |
-0.9 |
0 |
|
|
57669 |
22432018 |
1 |
ClO3N4C16H19 |
AB3C4D16E19 |
-52.06 |
1.13 |
-8.85 |
-1.54 |
0 |
|
|
57670 |
22432019 |
1 |
ClN3O3C13H14 |
AB3C3D13E14 |
-53.35 |
1.37 |
-9.91 |
-1.54 |
0 |
|
|
57671 |
22432023 |
1 |
ClO2N3H14C17 |
AB2C3D14E17 |
9.86 |
2.47 |
-9.55 |
-1.48 |
0 |
|
|
57672 |
22432060 |
1 |
ClN5H18C20 |
AB5C18D20 |
105.4 |
2.73 |
-8.14 |
-1.29 |
0 |
|
|
57673 |
22432088 |
1 |
O3N5C15H17 |
A3B5C15D17 |
-39.89 |
5.85 |
-9.54 |
-1.65 |
0 |
|
|
57674 |
22432100 |
2 |
ON3C8H12 |
AB3C8D12 |
12.3 |
7.83 |
-9.07 |
-1.05 |
0 |
|
|
57675 |
22432101 |
4 |
NOH3C4 |
ABC3D4 |
-23.05 |
2.93 |
-9.12 |
-1.66 |
0 |
|
|
57676 |
22432102 |
2 |
ON2H7C8 |
AB2C7D8 |
34.6 |
2.92 |
-9.68 |
-1.62 |
0 |
|
|
57677 |
22432105 |
2 |
ON2H7C8 |
AB2C7D8 |
30.66 |
3.27 |
-9.49 |
-1.59 |
0 |
|
|
57678 |
22432138 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-63.28 |
2.73 |
-9.31 |
-0.69 |
0 |
|
|
57679 |
22432187 |
1 |
O3N7C27H27 |
A3B7C27D27 |
44.98 |
7.03 |
-8.35 |
-1.6 |
0 |
|
|
57680 |
22432418 |
1 |
ClSO3N5C15H16 |
ABC3D5E15F16 |
-38.87 |
8.32 |
-9.26 |
-1.31 |
0 |
|
|
57681 |
22432434 |
1 |
ON8C31H34 |
AB8C31D34 |
96.72 |
1.96 |
-8.57 |
-1.35 |
0 |
|
|
57682 |
22432435 |
2 |
ON4C15H16 |
AB4C15D16 |
74.97 |
7.39 |
-8.53 |
-1.32 |
0 |
|
|
57683 |
22432688 |
1 |
S2N3O7H17C18 |
A2B3C7D17E18 |
-232.75 |
6.23 |
-9.07 |
-1.77 |
0 |
|
|
57684 |
22433332 |
1 |
OSN2C15H18 |
ABC2D15E18 |
-3.61 |
2.02 |
-8.78 |
-0.74 |
0 |
|
|
57685 |
22433333 |
1 |
BrOSN2C13H13 |
ABCD2E13F13 |
6.57 |
2.33 |
-9.0 |
-0.95 |
0 |
|
|
57686 |
22433334 |
1 |
BrOSN2C14H15 |
ABCD2E14F15 |
2.97 |
2.13 |
-8.95 |
-0.96 |
0 |
|
|
57687 |
22433355 |
1 |
BrSO2N3H18C19 |
ABC2D3E18F19 |
-0.51 |
2.23 |
-8.41 |
-1.0 |
0 |
|
|
57688 |
22433408 |
1 |
OSN2H18C19 |
ABC2D18E19 |
33.94 |
3.29 |
-8.68 |
-0.71 |
0 |
|
|
57689 |
22433409 |
1 |
OSN2C17H22 |
ABC2D17E22 |
-22.91 |
4.05 |
-8.25 |
-0.21 |
0 |
|
|
57690 |
22433410 |
1 |
OSN2C21H22 |
ABC2D21E22 |
17.24 |
2.84 |
-8.74 |
-0.66 |
0 |
|
|
57691 |
22433411 |
1 |
OSN2C17H22 |
ABC2D17E22 |
-20.7 |
2.7 |
-8.66 |
-0.64 |
0 |
|
|
57692 |
22433413 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-48.68 |
2.9 |
-8.64 |
-0.69 |
0 |
|
|
57693 |
22433414 |
1 |
OSN2C20H20 |
ABC2D20E20 |
24.04 |
3.62 |
-8.66 |
-0.67 |
0 |
|
|
57694 |
22433416 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-85.49 |
3.37 |
-8.76 |
-0.76 |
0 |
|
|
57695 |
22433429 |
1 |
ClOSN2C25H27 |
ABCD2E25F27 |
6.64 |
3.93 |
-8.63 |
-0.71 |
0 |
|
|
57696 |
22433430 |
1 |
SN2O3C27H32 |
AB2C3D27E32 |
-59.83 |
3.35 |
-8.46 |
-0.6 |
0 |
|
|
57697 |
24262963 |
1 |
NO5C15H19 |
AB5C15D19 |
-184.3 |
3.56 |
-8.9 |
-0.22 |
0 |
|
|
57698 |
24262964 |
1 |
NF3O3H12C13 |
AB3C3D12E13 |
-244.67 |
2.7 |
-10.02 |
-1.11 |
0 |
|
|
57699 |
24262967 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-165.53 |
5.97 |
-9.43 |
-0.46 |
0 |
|
|
57700 |
24262986 |
1 |
NSO5C12H17 |
ABC5D12E17 |
-202.97 |
8.68 |
-9.4 |
-0.43 |
0 |
|
|
57701 |
24262987 |
1 |
NS2O4C8H11 |
AB2C4D8E11 |
-143.65 |
5.7 |
-9.54 |
-0.97 |
0 |
|
|
57702 |
24262997 |
1 |
ClNO3C12H14 |
ABC3D12E14 |
-130.86 |
5.97 |
-9.27 |
0.01 |
0 |
|
|
57703 |
24263038 |
1 |
NO5C15H19 |
AB5C15D19 |
-196.89 |
7.24 |
-8.71 |
-0.36 |
0 |
|
|
57704 |
24263045 |
1 |
ClNO2C9H14 |
ABC2D9E14 |
-112.81 |
2.98 |
-10.32 |
-0.64 |
0 |
|
|
57705 |
24263047 |
1 |
ClNO2C7H12 |
ABC2D7E12 |
-114.3 |
4.58 |
-10.3 |
-0.43 |
0 |
|
|
57706 |
24263048 |
1 |
ClNO2C8H14 |
ABC2D8E14 |
-118.34 |
4.37 |
-10.33 |
-0.46 |
0 |
|
|
57707 |
24263051 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-73.67 |
4.75 |
-9.84 |
-0.49 |
0 |
|
|
57708 |
24263052 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-73.01 |
4.99 |
-9.83 |
-0.46 |
0 |
|
|
57709 |
24263053 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-73.5 |
5.44 |
-9.9 |
-0.51 |
0 |
|
|
57710 |
24263054 |
1 |
ClFNO2H7C9 |
ABCD2E7F9 |
-109.91 |
4.57 |
-10.38 |
-0.86 |
0 |
|
|
57711 |
24263058 |
1 |
BrClNO2H7C9 |
ABCD2E7F9 |
-60.03 |
3.68 |
-10.12 |
-0.86 |
0 |
|
|
57712 |
24263059 |
1 |
BrClNO2H7C9 |
ABCD2E7F9 |
-60.35 |
3.74 |
-10.16 |
-0.99 |
0 |
|
|
57713 |
24263060 |
1 |
ClNO3C10H10 |
ABC3D10E10 |
-105.06 |
5.81 |
-9.55 |
-0.66 |
0 |
|
|
57714 |
24276783 |
2 |
N2C6H11 |
A2B6C11 |
25.12 |
2.19 |
-8.54 |
1.14 |
0 |
|
|
57715 |
24276789 |
1 |
N3C12H23 |
A3B12C23 |
5.24 |
1.43 |
-8.76 |
1.22 |
0 |
|
|
57716 |
24276790 |
3 |
NC4H7 |
AB4C7 |
11.71 |
1.06 |
-8.75 |
1.25 |
0 |
|
|
57717 |
24276797 |
1 |
ON3C10H17 |
AB3C10D17 |
-26.55 |
4.39 |
-9.43 |
0.97 |
0 |
|
|
57718 |
24276800 |
1 |
ON3C13H21 |
AB3C13D21 |
-37.88 |
4.61 |
-9.21 |
0.99 |
0 |
|
|
57719 |
24276801 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-65.85 |
3.82 |
-9.25 |
0.82 |
0 |
|
|
57720 |
24276807 |
1 |
OSN2C10H16 |
ABC2D10E16 |
-5.82 |
4.74 |
-8.6 |
-0.23 |
0 |
|
|
57721 |
24276820 |
1 |
S2N3C10H15 |
A2B3C10D15 |
50.86 |
4.89 |
-8.65 |
-0.53 |
0 |
|
|
57722 |
24276821 |
1 |
S2N3C11H17 |
A2B3C11D17 |
44.16 |
5.56 |
-8.62 |
-0.49 |
0 |
|
|
57723 |
24276826 |
1 |
SN4C11H16 |
AB4C11D16 |
55.55 |
5.5 |
-8.49 |
-0.56 |
0 |
|
|
57724 |
24276829 |
1 |
SN3C9H13 |
AB3C9D13 |
46.99 |
3.13 |
-8.74 |
-0.52 |
0 |
|
|
57725 |
24276830 |
1 |
SN3C11H17 |
AB3C11D17 |
35.92 |
6.27 |
-8.7 |
-0.49 |
0 |
|
|
57726 |
24276832 |
1 |
SN3C12H17 |
AB3C12D17 |
35.79 |
5.85 |
-8.72 |
-0.5 |
0 |
|
|
57727 |
24276854 |
1 |
OSN3C14H19 |
ABC3D14E19 |
-10.34 |
3.3 |
-8.8 |
-0.46 |
0 |
|
|
57728 |
24276855 |
1 |
SN2C11H16 |
AB2C11D16 |
27.88 |
3.78 |
-8.59 |
-0.21 |
0 |
|
|
57729 |
24276857 |
1 |
SN2C13H18 |
AB2C13D18 |
22.63 |
3.79 |
-8.58 |
-0.2 |
0 |
|
|
57730 |
24276858 |
1 |
SN2C14H20 |
AB2C14D20 |
15.97 |
3.67 |
-8.59 |
-0.21 |
0 |