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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
372692 |
131302642 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-93.21 |
5.4 |
-8.63 |
-0.2 |
0 |
|
|
372693 |
131302665 |
1 |
BrNF2O3H8C9 |
ABC2D3E8F9 |
-196.92 |
3.72 |
-10.21 |
-1.07 |
0 |
|
|
372694 |
131302672 |
1 |
SN2O2H8C10 |
AB2C2D8E10 |
4.78 |
1.6 |
-9.94 |
-1.59 |
0 |
|
|
372695 |
131302691 |
1 |
FNO2C10H12 |
ABC2D10E12 |
-128.2 |
1.65 |
-8.65 |
0.12 |
0 |
|
|
372696 |
131302694 |
1 |
FNO2C10H12 |
ABC2D10E12 |
-126.6 |
2.26 |
-8.59 |
0.04 |
0 |
|
|
372697 |
131302710 |
1 |
ClO2N3H8C9 |
AB2C3D8E9 |
22.34 |
6.21 |
-9.71 |
-0.68 |
0 |
|
|
372698 |
131302733 |
1 |
ClNO2H10C11 |
ABC2D10E11 |
-31.92 |
2.73 |
-8.76 |
-0.13 |
0 |
|
|
372699 |
131302827 |
1 |
BrN2O2H7C10 |
AB2C2D7E10 |
-2.21 |
4.87 |
-10.1 |
-1.74 |
0 |
|
|
372700 |
131302828 |
1 |
N6C7H10 |
A6B7C10 |
91.05 |
3.17 |
-9.98 |
-0.61 |
0 |
|
|
372701 |
131302833 |
1 |
O2N3C10H11 |
A2B3C10D11 |
18.23 |
3.92 |
-9.89 |
-0.78 |
0 |
|
|
372702 |
131302865 |
1 |
OSN2C11H16 |
ABC2D11E16 |
-26.38 |
2.82 |
-9.21 |
-0.23 |
0 |
|
|
372703 |
131302884 |
1 |
SO2N3H5C9 |
AB2C3D5E9 |
62.96 |
6.33 |
-9.91 |
-1.78 |
0 |
|
|
372704 |
131302901 |
1 |
NO4C11H11 |
AB4C11D11 |
-101.01 |
2.73 |
-8.74 |
-1.17 |
0 |
|
|
372705 |
131302942 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-22.91 |
2.72 |
-8.38 |
-0.36 |
0 |
|
|
372706 |
131302943 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-71.64 |
3.41 |
-9.4 |
0.47 |
0 |
|
|
372707 |
131302945 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-62.07 |
6.55 |
-9.32 |
0.27 |
0 |
|
|
372708 |
131302953 |
1 |
NO3C9H17 |
AB3C9D17 |
-114.59 |
2.08 |
-9.01 |
0.54 |
0 |
|
|
372709 |
131302955 |
1 |
NO3C9H15 |
AB3C9D15 |
-69.73 |
5.98 |
-9.88 |
-0.38 |
0 |
|
|
372710 |
131303004 |
1 |
ClN2C13H19 |
AB2C13D19 |
-6.33 |
5.29 |
-9.48 |
-0.35 |
0 |
|
|
372711 |
131303024 |
1 |
Cl2F2C11H12 |
A2B2C11D12 |
-120.97 |
2.35 |
-9.89 |
-0.62 |
0 |
|
|
372712 |
131303101 |
1 |
NSF3C10H12 |
ABC3D10E12 |
-142.87 |
3.48 |
-9.22 |
-0.76 |
0 |
|
|
372713 |
131303114 |
1 |
SN2O3H8C9 |
AB2C3D8E9 |
-33.06 |
3.83 |
-9.1 |
-1.41 |
0 |
|
|
372714 |
131303116 |
1 |
ClN3C12H14 |
AB3C12D14 |
38.91 |
3.37 |
-8.25 |
-0.54 |
0 |
|
|
372715 |
131303121 |
1 |
BrO4C11H11 |
AB4C11D11 |
-151.77 |
2.6 |
-10.22 |
-1.36 |
0 |
|
|
372716 |
131303123 |
1 |
BrO4C11H11 |
AB4C11D11 |
-154.32 |
3.05 |
-10.02 |
-1.42 |
0 |
|
|
372717 |
131303161 |
1 |
N5C11H15 |
A5B11C15 |
48.46 |
3.36 |
-9.36 |
-0.32 |
0 |
|
|
372718 |
131303176 |
1 |
SN2C13H18 |
AB2C13D18 |
11.37 |
2.4 |
-8.85 |
-0.48 |
0 |
|
|
372719 |
131303177 |
1 |
SN2C13H18 |
AB2C13D18 |
7.64 |
2.11 |
-8.89 |
-0.52 |
0 |
|
|
372720 |
131303178 |
1 |
SN2C13H18 |
AB2C13D18 |
8.88 |
1.43 |
-8.73 |
-0.49 |
0 |
|
|
372721 |
131303236 |
1 |
ON4H8C11 |
AB4C8D11 |
105.67 |
5.81 |
-8.64 |
-2.01 |
0 |
|
|
372722 |
131303253 |
4 |
NC3H3 |
AB3C3 |
82.25 |
4.12 |
-8.43 |
-0.23 |
0 |
|
|
372723 |
131303271 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-94.07 |
5.41 |
-9.36 |
-1.23 |
0 |
|
|
372724 |
131303312 |
1 |
BrSO2H11C12 |
ABC2D11E12 |
-54.5 |
2.86 |
-8.61 |
-0.69 |
0 |
|
|
372725 |
131303346 |
1 |
O2S2C11H12 |
A2B2C11D12 |
-51.36 |
4.73 |
-8.16 |
-0.57 |
0 |
|
|
372726 |
131303354 |
1 |
FNOC11H14 |
ABCD11E14 |
-65.9 |
3.06 |
-8.1 |
0.14 |
0 |
|
|
372727 |
131303356 |
1 |
FNOC11H14 |
ABCD11E14 |
-70.68 |
3.59 |
-8.45 |
0.45 |
0 |
|
|
372728 |
131303393 |
1 |
BrCl2C10H11 |
AB2C10D11 |
-14.59 |
3.99 |
-9.73 |
-0.6 |
0 |
|
|
372729 |
131303394 |
1 |
BrCl2C10H11 |
AB2C10D11 |
-14.97 |
3.94 |
-9.85 |
-0.63 |
0 |
|
|
372730 |
131303407 |
1 |
NSO2C9H9 |
ABC2D9E9 |
-17.12 |
3.54 |
-9.05 |
-0.66 |
0 |
|
|
372731 |
131303422 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-70.92 |
4.34 |
-9.07 |
-0.46 |
0 |
|
|
372732 |
131303429 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-60.77 |
4.96 |
-9.24 |
-0.83 |
0 |
|
|
372733 |
131303528 |
1 |
IN2O2C11H13 |
AB2C2D11E13 |
-60.08 |
3.54 |
-8.96 |
-0.89 |
0 |
|
|
372734 |
131303595 |
1 |
ClNC8H14 |
ABC8D14 |
-16.05 |
4.0 |
-9.46 |
0.85 |
0 |
|
|
372735 |
131303636 |
1 |
ON3C11H13 |
AB3C11D13 |
15.43 |
3.78 |
-8.44 |
-0.5 |
0 |
|
|
372736 |
131303657 |
1 |
NSO3H9C10 |
ABC3D9E10 |
-54.33 |
4.02 |
-9.68 |
-1.26 |
0 |
|
|
372737 |
131303708 |
1 |
ClFN2C10H10 |
ABC2D10E10 |
-16.77 |
2.09 |
-9.6 |
-0.48 |
0 |
|
|
372738 |
131303713 |
1 |
ClSN2C9H9 |
ABC2D9E9 |
44.91 |
1.36 |
-8.24 |
-0.57 |
0 |
|
|
372739 |
131303720 |
1 |
ClN2O2C9H9 |
AB2C2D9E9 |
-35.41 |
2.73 |
-9.31 |
-0.58 |
0 |
|
|
372740 |
131303726 |
1 |
ClN2O2C9H9 |
AB2C2D9E9 |
-32.97 |
3.91 |
-8.99 |
-0.53 |
0 |
|
|
372741 |
131303761 |
1 |
BrN2O3C10H11 |
AB2C3D10E11 |
-98.24 |
3.58 |
-9.27 |
-0.62 |
0 |
|
|
372742 |
131303793 |
1 |
ON2S2C10H10 |
AB2C2D10E10 |
4.92 |
1.4 |
-8.74 |
-0.63 |
0 |
|
|
372743 |
131303814 |
1 |
OSN4C10H14 |
ABC4D10E14 |
18.68 |
4.96 |
-8.9 |
-0.99 |
0 |
|
|
372744 |
131303854 |
1 |
SN5C8H9 |
AB5C8D9 |
101.41 |
2.1 |
-8.48 |
-0.67 |
0 |
|
|
372745 |
131303860 |
1 |
BrOSC13H15 |
ABCD13E15 |
-21.13 |
0.59 |
-8.63 |
-0.75 |
0 |
|
|
372746 |
131303878 |
1 |
BrNOF2C9H10 |
ABCD2E9F10 |
-130.57 |
4.36 |
-9.4 |
-0.6 |
0 |
|
|
372747 |
131303881 |
1 |
BrS2C12H13 |
AB2C12D13 |
23.2 |
2.42 |
-8.6 |
-0.93 |
0 |
|
|
372748 |
131303890 |
1 |
BrOSC13H15 |
ABCD13E15 |
-19.13 |
3.57 |
-8.47 |
-0.84 |
0 |
|
|
372749 |
131303893 |
1 |
BrOSC13H15 |
ABCD13E15 |
-24.41 |
3.5 |
-8.28 |
-0.79 |
0 |
|
|
372750 |
131303903 |
2 |
NOH4C6 |
ABC4D6 |
-11.4 |
3.86 |
-9.94 |
-1.55 |
0 |
|
|
372751 |
131303921 |
1 |
ON5H7C8 |
AB5C7D8 |
27.68 |
0.78 |
-9.86 |
-0.94 |
0 |
|
|
372752 |
131303932 |
1 |
BrClO2C12H14 |
ABC2D12E14 |
-80.35 |
4.69 |
-9.28 |
-0.74 |
0 |
|
|
372753 |
131303981 |
1 |
O2F3H7C9 |
A2B3C7D9 |
-217.87 |
4.32 |
-10.36 |
-1.22 |
0 |
|
|
372754 |
131304006 |
1 |
ClNOF4H8C9 |
ABCD4E8F9 |
-229.54 |
1.86 |
-9.86 |
-0.85 |
0 |
|
|
372755 |
131304027 |
1 |
BrINH3O3C7 |
ABCD3E3F7 |
17.96 |
3.35 |
-10.39 |
-2.12 |
0 |
|
|
372756 |
131304030 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-45.76 |
3.87 |
-9.86 |
-1.22 |
0 |
|
|
372757 |
131304038 |
1 |
N2C13H16 |
A2B13C16 |
35.45 |
3.95 |
-9.33 |
-0.55 |
0 |
|
|
372758 |
131304100 |
1 |
ICl3H4C7 |
AB3C4D7 |
11.45 |
1.86 |
-9.67 |
-1.5 |
0 |
|
|
372759 |
131304117 |
1 |
NF2C10H13 |
AB2C10D13 |
-90.02 |
3.13 |
-9.31 |
0.07 |
0 |
|
|
372760 |
131304126 |
1 |
SN3C10H17 |
AB3C10D17 |
15.25 |
4.26 |
-9.6 |
-0.68 |
0 |
|
|
372761 |
131304154 |
1 |
BrSO2H9C11 |
ABC2D9E11 |
-55.57 |
4.45 |
-9.14 |
-1.07 |
0 |
|
|
372762 |
131304203 |
1 |
BrN3C10H12 |
AB3C10D12 |
42.48 |
5.47 |
-9.44 |
-0.46 |
0 |
|
|
372763 |
131304239 |
1 |
SO2F3H7C9 |
AB2C3D7E9 |
-211.44 |
3.56 |
-9.12 |
-1.58 |
0 |
|
|
372764 |
131304257 |
1 |
ClOF2C10H11 |
ABC2D10E11 |
-156.19 |
2.84 |
-9.41 |
-0.26 |
0 |
|
|
372765 |
131304274 |
1 |
BrOF3H3N3C7 |
ABC3D3E3F7 |
-131.93 |
5.88 |
-9.6 |
-1.39 |
0 |
|
|
372766 |
131304276 |
1 |
BrOF3H3N3C7 |
ABC3D3E3F7 |
-132.34 |
4.27 |
-9.63 |
-1.42 |
0 |
|
|
372767 |
131304291 |
1 |
INO2C12H14 |
ABC2D12E14 |
-38.0 |
6.24 |
-9.43 |
-0.86 |
0 |
|
|
372768 |
131304298 |
1 |
ClBr2C9H9 |
AB2C9D9 |
1.06 |
2.34 |
-9.62 |
-0.65 |
0 |
|
|
372769 |
131304299 |
3 |
BrC3H3 |
AB3C3 |
11.55 |
1.83 |
-9.66 |
-0.98 |
0 |
|
|
372770 |
131304303 |
1 |
ClBr2C9H9 |
AB2C9D9 |
3.24 |
3.13 |
-9.66 |
-0.72 |
0 |
|
|
372771 |
131304309 |
1 |
ClF3O3H6C9 |
AB3C3D6E9 |
-267.62 |
4.57 |
-9.84 |
-1.31 |
0 |
|
|
372772 |
131304317 |
1 |
ClF3O3H6C9 |
AB3C3D6E9 |
-282.05 |
2.26 |
-10.09 |
-1.38 |
0 |
|
|
372773 |
131304341 |
1 |
BrNS2H8C11 |
ABC2D8E11 |
69.82 |
3.45 |
-9.06 |
-1.55 |
0 |
|
|
372774 |
131304417 |
1 |
BrNSO2H4C10 |
ABCD2E4F10 |
-0.52 |
7.91 |
-9.63 |
-1.84 |
0 |
|
|
372775 |
131304506 |
1 |
FNO3C10H10 |
ABC3D10E10 |
-136.33 |
3.3 |
-8.68 |
-0.93 |
0 |
|
|
372776 |
131304516 |
2 |
NOSH3C4 |
ABCD3E4 |
-11.04 |
6.04 |
-9.27 |
-1.55 |
0 |
|
|
372777 |
131304554 |
1 |
ClNF2C9H10 |
ABC2D9E10 |
-90.25 |
0.98 |
-9.67 |
-0.65 |
0 |
|
|
372778 |
131304569 |
1 |
INO3H8C10 |
ABC3D8E10 |
-46.17 |
0.54 |
-9.64 |
-1.42 |
0 |
|
|
372779 |
131304580 |
1 |
BrFON2C11H12 |
ABCD2E11F12 |
-81.46 |
4.68 |
-8.61 |
-0.54 |
0 |
|
|
372780 |
131304595 |
1 |
ClNOC12H12 |
ABCD12E12 |
-12.53 |
1.87 |
-9.94 |
-0.98 |
0 |
|
|
372781 |
131304596 |
1 |
ClNOC12H12 |
ABCD12E12 |
-10.33 |
5.06 |
-9.92 |
-0.95 |
0 |
|
|
372782 |
131304665 |
1 |
ClSO3C10H17 |
ABC3D10E17 |
-143.25 |
7.6 |
-10.83 |
-0.93 |
0 |
|
|
372783 |
131304700 |
1 |
BrClNOH9C11 |
ABCDE9F11 |
-4.48 |
4.11 |
-9.91 |
-1.2 |
0 |
|
|
372784 |
131304701 |
1 |
BrClNOH9C11 |
ABCDE9F11 |
-7.97 |
2.81 |
-9.48 |
-1.24 |
0 |
|
|
372785 |
131304733 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-26.86 |
8.79 |
-9.25 |
-1.78 |
0 |
|
|
372786 |
131304734 |
1 |
NSO4H7C10 |
ABC4D7E10 |
-27.59 |
3.61 |
-9.26 |
-1.94 |
0 |
|
|
372787 |
131304737 |
1 |
ClON2H9C11 |
ABC2D9E11 |
26.83 |
2.69 |
-9.26 |
-0.68 |
0 |
|
|
372788 |
131304740 |
1 |
ON4C9H14 |
AB4C9D14 |
-7.38 |
6.74 |
-9.36 |
0.52 |
0 |
|
|
372789 |
131304763 |
1 |
NSO2H11C12 |
ABC2D11E12 |
-49.94 |
9.09 |
-8.68 |
-1.04 |
0 |
|
|
372790 |
131304786 |
1 |
ON3C12H15 |
AB3C12D15 |
6.02 |
6.41 |
-8.64 |
-0.13 |
0 |
|
|
372791 |
131304792 |
1 |
ON3C12H15 |
AB3C12D15 |
12.09 |
4.05 |
-8.54 |
0.09 |
0 |