List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279750 |
103845002 |
2 |
ON2C8H14 |
AB2C8D14 |
-89.28 |
0.89 |
-9.29 |
0.65 |
0 |
|
|
279751 |
103845003 |
1 |
O2N4C15H28 |
A2B4C15D28 |
-84.93 |
4.86 |
-9.24 |
0.68 |
0 |
|
|
279752 |
103845004 |
2 |
ON2C8H15 |
AB2C8D15 |
-91.76 |
4.53 |
-9.22 |
0.79 |
0 |
|
|
279753 |
103845007 |
1 |
NOCl2C15H15 |
ABC2D15E15 |
-23.08 |
2.74 |
-9.02 |
-0.52 |
0 |
|
|
279754 |
103845008 |
1 |
BrON3C13H16 |
ABC3D13E16 |
31.3 |
2.85 |
-9.35 |
-0.31 |
0 |
|
|
279755 |
103845009 |
1 |
OCl2N3C12H13 |
AB2C3D12E13 |
17.81 |
1.75 |
-9.59 |
-0.6 |
0 |
|
|
279756 |
103845014 |
1 |
ClFN2C14H20 |
ABC2D14E20 |
-20.71 |
2.68 |
-8.84 |
-0.39 |
0 |
|
|
279757 |
103845032 |
1 |
ClFN2C14H14 |
ABC2D14E14 |
-4.67 |
3.52 |
-9.45 |
-0.48 |
0 |
|
|
279758 |
103845033 |
1 |
N3C13H23 |
A3B13C23 |
6.07 |
3.64 |
-9.12 |
0.86 |
0 |
|
|
279759 |
103845042 |
1 |
ON3C13H25 |
AB3C13D25 |
-38.81 |
3.21 |
-9.42 |
0.71 |
0 |
|
|
279760 |
103845045 |
1 |
SCl2N2C13H18 |
AB2C2D13E18 |
0.45 |
2.06 |
-8.64 |
-0.36 |
0 |
|
|
279761 |
103845053 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-88.08 |
2.68 |
-9.23 |
0.77 |
0 |
|
|
279762 |
103845055 |
1 |
OCl2N2C16H16 |
AB2C2D16E16 |
-24.13 |
3.36 |
-8.11 |
-0.61 |
0 |
|
|
279763 |
103845071 |
1 |
ClFNOC14H21 |
ABCDE14F21 |
-113.32 |
3.0 |
-9.23 |
-0.26 |
0 |
|
|
279764 |
103845082 |
1 |
ON3C13H23 |
AB3C13D23 |
-30.83 |
3.43 |
-9.12 |
0.82 |
0 |
|
|
279765 |
103845085 |
1 |
ClFNOSC12H17 |
ABCDEF12G17 |
-92.0 |
3.32 |
-8.69 |
-0.3 |
0 |
|
|
279766 |
103845091 |
1 |
SN3C13H23 |
AB3C13D23 |
16.76 |
3.43 |
-8.61 |
0.62 |
0 |
|
|
279767 |
103845100 |
1 |
ClFNC13H17 |
ABCD13E17 |
-31.99 |
1.79 |
-9.11 |
-0.34 |
0 |
|
|
279768 |
103845107 |
1 |
BrNOC14H22 |
ABCD14E22 |
-55.92 |
4.04 |
-8.91 |
-0.19 |
0 |
|
|
279769 |
103845110 |
1 |
ClFNSC13H17 |
ABCDE13F17 |
-44.53 |
1.53 |
-8.66 |
-0.32 |
0 |
|
|
279770 |
103845114 |
1 |
ClFNSC13H17 |
ABCDE13F17 |
-46.99 |
1.31 |
-8.61 |
-0.42 |
0 |
|
|
279771 |
103845117 |
1 |
ClFNSC11H13 |
ABCDE11F13 |
-36.9 |
2.14 |
-8.65 |
-0.48 |
0 |
|
|
279772 |
103845118 |
1 |
SN3C10H17 |
AB3C10D17 |
32.23 |
3.53 |
-8.66 |
0.46 |
0 |
|
|
279773 |
103845127 |
1 |
SN3C13H25 |
AB3C13D25 |
9.97 |
4.98 |
-8.57 |
0.69 |
0 |
|
|
279774 |
103845130 |
1 |
ClFNOC14H21 |
ABCDE14F21 |
-104.52 |
1.42 |
-9.36 |
-0.49 |
0 |
|
|
279775 |
103845135 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-106.23 |
3.89 |
-9.24 |
0.77 |
0 |
|
|
279776 |
103845138 |
1 |
BrNC13H18 |
ABC13D18 |
22.29 |
1.15 |
-9.05 |
-0.02 |
0 |
|
|
279777 |
103845142 |
1 |
N3C14H27 |
A3B14C27 |
-4.56 |
4.04 |
-9.18 |
0.89 |
0 |
|
|
279778 |
103845149 |
1 |
OCl2N2C11H14 |
AB2C2D11E14 |
-46.17 |
4.14 |
-9.24 |
-0.33 |
0 |
|
|
279779 |
103845172 |
1 |
BrNOC14H22 |
ABCD14E22 |
-56.18 |
2.84 |
-8.98 |
-0.15 |
0 |
|
|
279780 |
103845173 |
1 |
NOCl2C13H19 |
ABC2D13E19 |
-66.55 |
3.04 |
-9.31 |
-0.55 |
0 |
|
|
279781 |
103845174 |
1 |
BrNOC15H22 |
ABCD15E22 |
-43.68 |
0.56 |
-9.04 |
-0.06 |
0 |
|
|
279782 |
103845176 |
1 |
ClFNOC14H19 |
ABCDE14F19 |
-94.5 |
3.01 |
-9.3 |
-0.46 |
0 |
|
|
279783 |
103845180 |
1 |
ON3C9H17 |
AB3C9D17 |
-22.96 |
2.73 |
-9.22 |
0.6 |
0 |
|
|
279784 |
103845181 |
1 |
ON3C12H19 |
AB3C12D19 |
-0.82 |
2.02 |
-9.31 |
0.56 |
0 |
|
|
279785 |
103845186 |
1 |
OCl2N2C16H16 |
AB2C2D16E16 |
-20.6 |
3.17 |
-8.77 |
-0.64 |
0 |
|
|
279786 |
103845187 |
1 |
OCl2N2H12C14 |
AB2C2D12E14 |
-12.43 |
5.57 |
-8.78 |
-0.8 |
0 |
|
|
279787 |
103845189 |
1 |
OCl2N3H13C14 |
AB2C3D13E14 |
-18.09 |
2.5 |
-8.4 |
-0.58 |
0 |
|
|
279788 |
103845191 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-52.9 |
5.32 |
-8.11 |
0.12 |
0 |
|
|
279789 |
103845193 |
1 |
OCl2N3H11C15 |
AB2C3D11E15 |
45.53 |
5.66 |
-8.83 |
-1.03 |
0 |
|
|
279790 |
103845198 |
1 |
OCl2N2H12C16 |
AB2C2D12E16 |
26.85 |
5.02 |
-8.44 |
-0.92 |
0 |
|
|
279791 |
103845200 |
1 |
SN4C13H14 |
AB4C13D14 |
86.27 |
3.47 |
-8.66 |
-0.61 |
0 |
|
|
279792 |
103845202 |
1 |
Cl2N2H12C13 |
A2B2C12D13 |
32.16 |
2.85 |
-8.68 |
-0.67 |
0 |
|
|
279793 |
103845206 |
1 |
ClFN2H12C13 |
ABC2D12E13 |
-6.92 |
3.28 |
-8.68 |
-0.7 |
0 |
|
|
279794 |
103845207 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-45.64 |
3.6 |
-8.7 |
-0.14 |
0 |
|
|
279795 |
103845209 |
1 |
ClFON2C13H18 |
ABCD2E13F18 |
-91.93 |
3.23 |
-9.24 |
-0.39 |
0 |
|
|
279796 |
103845210 |
1 |
ON4C12H22 |
AB4C12D22 |
-27.86 |
6.85 |
-9.07 |
0.82 |
0 |
|
|
279797 |
103845211 |
1 |
ClFNC14H17 |
ABCD14E17 |
-3.51 |
1.93 |
-9.24 |
-0.37 |
0 |
|
|
279798 |
103845212 |
1 |
BrON2C14H23 |
ABC2D14E23 |
-40.69 |
1.46 |
-8.83 |
-0.08 |
0 |
|
|
279799 |
103845213 |
1 |
OCl2N2C13H20 |
AB2C2D13E20 |
-51.88 |
2.66 |
-8.61 |
-0.56 |
0 |