List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338797 |
127259808 |
2 |
OC11H13 |
AB11C13 |
-75.31 |
2.04 |
-9.44 |
0.2 |
0 |
|
|
338798 |
127259809 |
1 |
NO3C21H25 |
AB3C21D25 |
-85.21 |
1.66 |
-8.73 |
0.08 |
0 |
|
|
338799 |
127259810 |
1 |
ClO3C18H19 |
AB3C18D19 |
-94.87 |
2.54 |
-9.46 |
-0.03 |
0 |
|
|
338800 |
127259811 |
1 |
ClO3H21C23 |
AB3C21D23 |
-80.55 |
2.72 |
-9.0 |
-0.08 |
0 |
|
|
338801 |
127259812 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-117.1 |
2.23 |
-9.31 |
0.33 |
0 |
|
|
338802 |
127259813 |
1 |
ClNO3C20H30 |
ABC3D20E30 |
-182.12 |
1.58 |
-8.98 |
0.13 |
0 |
|
|
338803 |
127259814 |
1 |
NO3C20H29 |
AB3C20D29 |
-148.36 |
1.13 |
-9.02 |
0.09 |
0 |
|
|
338804 |
127259815 |
1 |
NCl2O2C22H29 |
AB2C2D22E29 |
-109.37 |
4.73 |
-9.65 |
-0.1 |
0 |
|
|
338805 |
127259816 |
1 |
ClNO2C22H28 |
ABC2D22E28 |
-70.9 |
2.71 |
-9.15 |
0.11 |
0 |
|
|
338806 |
127259817 |
1 |
NSO2H17C19 |
ABC2D17E19 |
-13.61 |
2.23 |
-9.08 |
-0.82 |
0 |
|
|
338807 |
127259818 |
1 |
O2H22C23 |
A2B22C23 |
-27.41 |
1.58 |
-9.26 |
0.13 |
0 |
|
|
338808 |
127259819 |
1 |
NO4H17C18 |
AB4C17D18 |
-125.22 |
6.46 |
-9.81 |
-0.54 |
0 |
|
|
338809 |
127259820 |
1 |
ClSO4C15H19 |
ABC4D15E19 |
-179.77 |
2.89 |
-9.35 |
-0.36 |
0 |
|
|
338810 |
127259821 |
1 |
ClNSO2C15H16 |
ABCD2E15F16 |
-54.15 |
1.99 |
-8.98 |
-0.13 |
0 |
|
|
338811 |
127259822 |
1 |
NO4H13C17 |
AB4C13D17 |
-115.12 |
4.88 |
-10.14 |
-1.14 |
0 |
|
|
338812 |
127259823 |
1 |
NO5C14H17 |
AB5C14D17 |
-185.39 |
3.15 |
-9.73 |
-0.26 |
0 |
|
|
338813 |
127259824 |
1 |
O3C16H22 |
A3B16C22 |
-139.49 |
2.87 |
-9.63 |
0.1 |
0 |
|
|
338814 |
127259825 |
1 |
NO2C23H23 |
AB2C23D23 |
-17.72 |
2.41 |
-9.03 |
-0.09 |
0 |
|
|
338815 |
127259826 |
1 |
N2O2C23H32 |
A2B2C23D32 |
-68.21 |
4.07 |
-8.33 |
0.17 |
0 |
|
|
338816 |
127259827 |
1 |
NH17C18 |
AB17C18 |
119.03 |
5.01 |
-9.26 |
-0.46 |
0 |
|
|
338817 |
127259828 |
1 |
NO4C18H19 |
AB4C18D19 |
-67.06 |
4.78 |
-9.54 |
-1.46 |
0 |
|
|
338818 |
127259829 |
1 |
NO4H19C21 |
AB4C19D21 |
-41.7 |
3.9 |
-9.5 |
-1.65 |
0 |
|
|
338819 |
127259830 |
1 |
NO2C22H29 |
AB2C22D29 |
-66.85 |
2.79 |
-8.78 |
0.36 |
0 |
|
|
338820 |
127259831 |
1 |
NCl2O2C21H25 |
AB2C2D21E25 |
-80.76 |
2.55 |
-8.5 |
0.02 |
0 |
|
|
338821 |
127259832 |
1 |
O3C13H18 |
A3B13C18 |
-135.96 |
1.8 |
-9.47 |
0.3 |
0 |
|
|
338822 |
127259833 |
2 |
SH6C7 |
AB6C7 |
70.64 |
1.49 |
-8.72 |
-1.2 |
0 |
|
|
338823 |
127259834 |
1 |
NS2H9C14 |
AB2C9D14 |
112.73 |
4.54 |
-9.05 |
-1.55 |
0 |
|
|
338824 |
127259835 |
1 |
OS2H12C14 |
AB2C12D14 |
29.81 |
2.37 |
-8.85 |
-1.33 |
0 |
|
|
338825 |
127259836 |
1 |
O3S3H14C15 |
A3B3C14D15 |
-35.77 |
6.14 |
-8.85 |
-1.32 |
0 |
|
|
338826 |
127259837 |
1 |
NSO3H11C13 |
ABC3D11E13 |
-52.24 |
11.65 |
-8.76 |
-1.3 |
0 |
|
|
338827 |
127259838 |
1 |
NSO2H13C14 |
ABC2D13E14 |
-25.89 |
11.16 |
-8.65 |
-1.11 |
0 |
|
|
338828 |
127259839 |
1 |
NSO3H15C19 |
ABC3D15E19 |
-14.13 |
9.16 |
-8.89 |
-1.7 |
0 |
|
|
338829 |
127259840 |
1 |
NSO2F3H10C14 |
ABC2D3E10F14 |
-170.09 |
8.14 |
-9.51 |
-1.95 |
0 |
|
|
338830 |
127259841 |
1 |
NSO2H11C13 |
ABC2D11E13 |
-7.35 |
8.08 |
-9.18 |
-1.69 |
0 |
|
|
338831 |
127259842 |
1 |
NOSH19C21 |
ABCD19E21 |
55.54 |
5.35 |
-8.28 |
-0.87 |
0 |
|
|
338832 |
127259843 |
1 |
NOSH13C14 |
ABCD13E14 |
26.27 |
3.09 |
-8.48 |
-1.14 |
0 |
|
|
338833 |
127259844 |
1 |
SN2O2H12C15 |
AB2C2D12E15 |
75.09 |
6.63 |
-8.83 |
-1.68 |
0 |
|
|
338834 |
127259845 |
1 |
BrNOSH10C13 |
ABCDE10F13 |
37.28 |
4.0 |
-8.64 |
-1.36 |
0 |
|
|
338835 |
127259846 |
1 |
BrClNOSH9C13 |
ABCDEF9G13 |
28.34 |
3.57 |
-8.83 |
-1.65 |
0 |
|
|
338836 |
127259847 |
1 |
ClSN2O2H11C15 |
ABC2D2E11F15 |
65.55 |
5.12 |
-8.99 |
-1.78 |
0 |
|
|
338837 |
127259848 |
1 |
SN2O2H14C16 |
AB2C2D14E16 |
64.98 |
5.66 |
-8.77 |
-1.7 |
0 |
|
|
338838 |
127259849 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
13.78 |
7.28 |
-8.58 |
-1.26 |
0 |
|
|
338839 |
127259850 |
1 |
OSC21H26 |
ABC21D26 |
-16.8 |
3.38 |
-8.94 |
-1.0 |
0 |
|
|
338840 |
127259851 |
1 |
SO2C26H34 |
AB2C26D34 |
-59.53 |
4.61 |
-9.09 |
-1.15 |
0 |
|
|
338841 |
127259852 |
1 |
OSC17H18 |
ABC17D18 |
-8.59 |
1.11 |
-9.02 |
-0.7 |
0 |
|
|
338842 |
127259853 |
1 |
OSC18H20 |
ABC18D20 |
-13.33 |
1.32 |
-8.8 |
-0.64 |
0 |
|
|
338843 |
127259854 |
1 |
SO3C18H18 |
AB3C18D18 |
-89.7 |
4.98 |
-9.12 |
-1.32 |
0 |
|
|
338844 |
127259855 |
1 |
SO3C19H20 |
AB3C19D20 |
-94.28 |
4.95 |
-9.1 |
-1.34 |
0 |
|
|
338845 |
127259856 |
1 |
SO3C16H16 |
AB3C16D16 |
-58.88 |
2.89 |
-9.05 |
-1.13 |
0 |
|
|
338846 |
127259857 |
1 |
ON2H18C21 |
AB2C18D21 |
60.62 |
3.81 |
-9.49 |
-0.33 |
0 |
|
|
338847 |
127259858 |
1 |
ON2H20C22 |
AB2C20D22 |
53.73 |
4.24 |
-9.45 |
-0.42 |
0 |
|
|
338848 |
127259859 |
1 |
SN2C11H16 |
AB2C11D16 |
27.71 |
6.97 |
-7.62 |
-0.09 |
0 |
|
|
338849 |
127259860 |
1 |
OCl3N4H7C11 |
AB3C4D7E11 |
70.93 |
6.27 |
-9.52 |
-1.24 |
0 |
|
|
338850 |
127259861 |
1 |
ClON4H11C15 |
ABC4D11E15 |
100.02 |
3.62 |
-9.09 |
-1.08 |
0 |
|
|
338851 |
127259862 |
1 |
OCl2N5H7C10 |
AB2C5D7E10 |
89.95 |
5.52 |
-10.18 |
-1.44 |
0 |
|
|
338852 |
127259863 |
1 |
SN2C9H12 |
AB2C9D12 |
36.64 |
6.93 |
-7.97 |
-0.57 |
0 |
|
|
338853 |
127259864 |
2 |
NOF2C6H6 |
ABC2D6E6 |
-194.04 |
0.64 |
-9.08 |
-1.14 |
0 |
|
|
338854 |
127259865 |
1 |
ClN3H12C13 |
AB3C12D13 |
108.48 |
1.93 |
-9.24 |
-0.53 |
0 |
|
|
338855 |
127259866 |
1 |
FN3C7H8 |
AB3C7D8 |
48.12 |
3.37 |
-9.03 |
-0.27 |
0 |
|
|
338856 |
127259867 |
1 |
N4C15H18 |
A4B15C18 |
93.06 |
6.94 |
-8.32 |
0.07 |
0 |
|
|
338857 |
127259868 |
1 |
NC20H25 |
AB20C25 |
43.05 |
0.74 |
-8.82 |
0.39 |
0 |
|
|
338858 |
127259869 |
1 |
OSC12H16 |
ABC12D16 |
-27.92 |
3.08 |
-8.86 |
-0.36 |
0 |
|
|
338859 |
127259870 |
1 |
OSC16H24 |
ABC16D24 |
-47.96 |
3.07 |
-8.89 |
-0.38 |
0 |
|
|
338860 |
127259871 |
1 |
O2N4C17H20 |
A2B4C17D20 |
56.58 |
6.6 |
-9.4 |
-1.13 |
0 |
|
|
338861 |
127259872 |
1 |
ON2C16H24 |
AB2C16D24 |
-30.06 |
2.63 |
-9.0 |
0.44 |
0 |
|
|
338862 |
127259873 |
1 |
ClNOC11H16 |
ABCD11E16 |
-57.76 |
4.93 |
-9.76 |
-0.02 |
0 |
|
|
338863 |
127259874 |
2 |
O2C6H7 |
A2B6C7 |
-159.88 |
1.66 |
-9.49 |
0.25 |
0 |
|
|
338864 |
127259875 |
1 |
FSO3C15H15 |
ABC3D15E15 |
-136.83 |
5.84 |
-9.32 |
-0.85 |
0 |
|
|
338865 |
127259876 |
1 |
SO3C11H16 |
AB3C11D16 |
-120.81 |
3.66 |
-9.43 |
0.16 |
0 |
|
|
338866 |
127259877 |
1 |
O3C16H24 |
A3B16C24 |
-148.57 |
2.26 |
-9.34 |
0.4 |
0 |
|
|
338867 |
127259878 |
1 |
NC29H33 |
AB29C33 |
81.05 |
1.69 |
-8.95 |
0.39 |
0 |
|
|
338868 |
127259879 |
1 |
NSO3C21H21 |
ABC3D21E21 |
-65.03 |
6.7 |
-9.18 |
-0.63 |
0 |
|
|
338869 |
127259880 |
1 |
N5H13C14 |
A5B13C14 |
114.56 |
7.77 |
-9.22 |
-0.88 |
0 |
|
|
338870 |
127259881 |
1 |
ClSO2N3C11H16 |
ABC2D3E11F16 |
-47.33 |
4.38 |
-8.53 |
-0.15 |
0 |
|
|
338871 |
127259882 |
1 |
ClNSO5H10C13 |
ABCD5E10F13 |
-84.9 |
1.91 |
-9.69 |
-1.59 |
0 |