List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
136812 |
52105500 |
1 |
O2N5C11H17 |
A2B5C11D17 |
0.23 |
1.46 |
-8.61 |
-0.28 |
0 |
|
|
136813 |
52105501 |
1 |
ON6C14H16 |
AB6C14D16 |
78.66 |
2.0 |
-8.7 |
-0.45 |
0 |
|
|
136814 |
52105502 |
1 |
ON6C14H16 |
AB6C14D16 |
78.59 |
1.82 |
-8.66 |
-0.48 |
-1 |
|
|
136815 |
52105735 |
1 |
SN2F3O4H10C19 |
AB2C3D4E10F19 |
-206.01 |
6.38 |
0.0 |
0.0 |
0 |
|
|
136816 |
52105957 |
1 |
SN2O4H18C21 |
AB2C4D18E21 |
-92.7 |
6.22 |
-9.63 |
-1.95 |
0 |
|
|
136817 |
52105958 |
1 |
SN2O4H16C20 |
AB2C4D16E20 |
-87.81 |
5.32 |
-9.8 |
-2.01 |
-1 |
|
|
136818 |
52105959 |
1 |
ClSN2O4H12C19 |
ABC2D4E12F19 |
-52.29 |
6.04 |
0.0 |
0.0 |
0 |
|
|
136819 |
52106958 |
1 |
NO3C19H23 |
AB3C19D23 |
-90.56 |
2.97 |
-8.42 |
-0.09 |
0 |
|
|
136820 |
52106959 |
1 |
NO3C19H23 |
AB3C19D23 |
-91.89 |
3.81 |
-8.54 |
-0.14 |
0 |
|
|
136821 |
52107204 |
1 |
ClN2O3H13C15 |
AB2C3D13E15 |
-64.76 |
5.92 |
-9.15 |
-0.69 |
0 |
|
|
136822 |
52107531 |
1 |
O2N3C22H25 |
A2B3C22D25 |
6.02 |
4.81 |
-8.39 |
-0.55 |
0 |
|
|
136823 |
52107955 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-20.73 |
2.66 |
-8.4 |
-0.27 |
1 |
|
|
136824 |
52108088 |
1 |
N7C18H22 |
A7B18C22 |
84.35 |
2.7 |
0.0 |
0.0 |
1 |
|
|
136825 |
52108245 |
1 |
O2N4C17H19 |
A2B4C17D19 |
-3.83 |
5.35 |
0.0 |
0.0 |
0 |
|
|
136826 |
52108262 |
1 |
N4C15H20 |
A4B15C20 |
37.81 |
2.79 |
-8.1 |
-0.2 |
1 |
|
|
136827 |
52108263 |
1 |
N4C15H21 |
A4B15C21 |
41.2 |
3.75 |
0.0 |
0.0 |
0 |
|
|
136828 |
52108264 |
1 |
N4C15H20 |
A4B15C20 |
39.05 |
2.71 |
-8.09 |
-0.2 |
1 |
|
|
136829 |
52108420 |
1 |
ON4C16H17 |
AB4C16D17 |
36.25 |
3.04 |
0.0 |
0.0 |
1 |
|
|
136830 |
52109033 |
1 |
ON4C18H29 |
AB4C18D29 |
-20.78 |
3.14 |
0.0 |
0.0 |
1 |
|
|
136831 |
52109114 |
1 |
N4C18H25 |
A4B18C25 |
34.32 |
4.6 |
0.0 |
0.0 |
0 |
|
|
136832 |
52109266 |
1 |
Cl2N4H18C19 |
A2B4C18D19 |
61.05 |
4.95 |
-8.56 |
-0.79 |
0 |
|
|
136833 |
52109269 |
1 |
Cl2N4H18C19 |
A2B4C18D19 |
59.96 |
4.05 |
-8.47 |
-0.82 |
0 |
|
|
136834 |
52109487 |
1 |
ClON5C23H26 |
ABC5D23E26 |
39.41 |
0.99 |
-8.34 |
-0.54 |
0 |
|
|
136835 |
52109555 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-24.1 |
2.83 |
-8.58 |
-0.67 |
1 |
|
|
136836 |
52109556 |
1 |
O2N4C15H21 |
A2B4C15D21 |
-37.42 |
3.83 |
0.0 |
0.0 |
0 |
|
|
136837 |
52109635 |
2 |
ON2C11H12 |
AB2C11D12 |
1.28 |
3.58 |
-8.02 |
-0.51 |
0 |
|
|
136838 |
52110137 |
2 |
ON2C9H10 |
AB2C9D10 |
-6.12 |
1.21 |
-8.04 |
-0.67 |
1 |
|
|
136839 |
52110777 |
1 |
O3N4H19C21 |
A3B4C19D21 |
-6.67 |
3.1 |
0.0 |
0.0 |
0 |
|
|
136840 |
52110778 |
1 |
O3N4H18C21 |
A3B4C18D21 |
-8.23 |
2.2 |
-8.41 |
-0.71 |
0 |
|
|
136841 |
52110779 |
1 |
O3N4H16C20 |
A3B4C16D20 |
-7.92 |
10.42 |
-8.77 |
-0.94 |
1 |
|
|
136842 |
52110780 |
1 |
O2N5H18C20 |
A2B5C18D20 |
33.83 |
4.7 |
0.0 |
0.0 |
0 |
|
|
136843 |
52110781 |
1 |
O2N5H17C20 |
A2B5C17D20 |
33.19 |
4.6 |
-8.54 |
-0.81 |
1 |
|
|
136844 |
52111216 |
1 |
O2N4C17H25 |
A2B4C17D25 |
-44.4 |
5.12 |
0.0 |
0.0 |
0 |
|
|
136845 |
52111217 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-43.57 |
3.53 |
-8.28 |
-0.28 |
1 |
|
|
136846 |
52111218 |
1 |
O2N4C17H25 |
A2B4C17D25 |
-46.39 |
6.93 |
0.0 |
0.0 |
0 |
|
|
136847 |
52111219 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-45.02 |
4.87 |
-8.27 |
-0.22 |
1 |
|
|
136848 |
52111474 |
1 |
N5C20H24 |
A5B20C24 |
106.28 |
3.61 |
0.0 |
0.0 |
0 |
|
|
136849 |
52112082 |
2 |
ON2C12H12 |
AB2C12D12 |
17.75 |
4.86 |
-8.38 |
-0.69 |
1 |
|
|
136850 |
52112114 |
1 |
N4C28H31 |
A4B28C31 |
85.7 |
2.17 |
0.0 |
0.0 |
0 |
|
|
136851 |
52112115 |
2 |
N2C14H15 |
A2B14C15 |
84.11 |
3.29 |
-8.1 |
-0.18 |
1 |
|
|
136852 |
52112116 |
1 |
N4C25H25 |
A4B25C25 |
99.16 |
3.16 |
0.0 |
0.0 |
0 |
|
|
136853 |
52112233 |
1 |
ON4C24H24 |
AB4C24D24 |
61.88 |
3.73 |
-8.41 |
-0.49 |
1 |
|
|
136854 |
52112234 |
1 |
ON4C24H25 |
AB4C24D25 |
57.73 |
3.48 |
0.0 |
0.0 |
0 |
|
|
136855 |
52112439 |
1 |
ClSO2N3H14C23 |
ABC2D3E14F23 |
85.77 |
4.15 |
-9.18 |
-1.36 |
0 |
|
|
136856 |
52112912 |
1 |
ClS2N3O3C12H16 |
AB2C3D3E12F16 |
-101.18 |
4.39 |
-9.12 |
-1.6 |
0 |
|
|
136857 |
52113238 |
1 |
FN3O4H16C17 |
AB3C4D16E17 |
-111.53 |
1.45 |
-9.28 |
-0.62 |
0 |
|
|
136858 |
52113853 |
1 |
NSO3C9H17 |
ABC3D9E17 |
-140.79 |
4.85 |
-9.24 |
0.3 |
0 |
|
|
136859 |
52113959 |
1 |
ClNO3C14H16 |
ABC3D14E16 |
-127.63 |
2.63 |
-9.36 |
-0.78 |
1 |
|
|
136860 |
52114195 |
1 |
O2F3N4C24H26 |
A2B3C4D24E26 |
-133.35 |
7.0 |
0.0 |
0.0 |
2 |
|
|
136861 |
52114513 |
1 |
O2F3N5C23H32 |
A2B3C5D23E32 |
-149.85 |
32.6 |
-6.14 |
-1.3 |
0 |
|
|
136862 |
52114514 |
1 |
O2F3N5C23H30 |
A2B3C5D23E30 |
-175.18 |
3.54 |
-8.72 |
-1.31 |
1 |
|
|
136863 |
52114515 |
1 |
F3O3N5C22H29 |
A3B3C5D22E29 |
-193.8 |
11.32 |
0.0 |
0.0 |
0 |
|
|
136864 |
52115229 |
1 |
N4O4C27H28 |
A4B4C27D28 |
-93.35 |
6.24 |
-9.36 |
-1.11 |
0 |
|
|
136865 |
52115230 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-89.84 |
5.97 |
-9.09 |
-0.84 |
0 |
|
|
136866 |
52115625 |
1 |
FO2N3C20H24 |
AB2C3D20E24 |
-88.95 |
4.98 |
-9.35 |
-0.93 |
0 |
|
|
136867 |
52115692 |
1 |
FO3N5C22H28 |
AB3C5D22E28 |
-127.7 |
5.6 |
-9.13 |
-1.09 |
0 |
|
|
136868 |
52115693 |
1 |
FO4N5C23H30 |
AB4C5D23E30 |
-158.65 |
4.87 |
-9.12 |
-1.01 |
0 |
|
|
136869 |
52115950 |
1 |
O2N4C25H28 |
A2B4C25D28 |
-7.87 |
5.45 |
-8.33 |
-0.85 |
0 |
|
|
136870 |
52116350 |
2 |
ON2C9H12 |
AB2C9D12 |
-29.08 |
3.58 |
-8.84 |
-0.87 |
0 |
|
|
136871 |
52116414 |
1 |
ClSO2N3H16C18 |
ABC2D3E16F18 |
-3.65 |
2.52 |
-9.16 |
-1.15 |
0 |
|
|
136872 |
52116415 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-16.07 |
2.01 |
-9.4 |
-1.04 |
0 |
|
|
136873 |
52116416 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-15.75 |
3.76 |
-9.53 |
-1.13 |
1 |
|
|
136874 |
52117160 |
1 |
O3N4C19H27 |
A3B4C19D27 |
-74.6 |
5.36 |
0.0 |
0.0 |
0 |
|
|
136875 |
52117610 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-13.18 |
5.13 |
-9.11 |
-0.79 |
0 |
|
|
136876 |
52117611 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-25.98 |
4.64 |
-9.18 |
-0.9 |
0 |
|
|
136877 |
52117742 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-28.71 |
6.01 |
-8.95 |
-0.78 |
0 |
|
|
136878 |
52117743 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-28.26 |
3.6 |
-8.94 |
-0.79 |
0 |
|
|
136879 |
52117744 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-33.89 |
7.18 |
-8.96 |
-0.78 |
0 |
|
|
136880 |
52117745 |
1 |
O2N3C24H27 |
A2B3C24D27 |
-33.83 |
5.34 |
-8.95 |
-0.79 |
0 |
|
|
136881 |
52118276 |
1 |
FO3N4C18H19 |
AB3C4D18E19 |
-113.06 |
1.6 |
-9.09 |
-1.39 |
0 |
|
|
136882 |
52118434 |
1 |
N4O5C20H22 |
A4B5C20D22 |
-150.83 |
5.87 |
-9.35 |
-1.0 |
0 |
|
|
136883 |
52118762 |
2 |
N2O3C12H12 |
A2B3C12D12 |
-167.99 |
7.34 |
-9.2 |
-1.15 |
0 |
|
|
136884 |
52118984 |
1 |
F2O3N4H18C21 |
A2B3C4D18E21 |
-135.32 |
2.41 |
-8.95 |
-1.55 |
0 |
|
|
136885 |
52118985 |
1 |
ClFO3N4H18C21 |
ABC3D4E18F21 |
-94.36 |
1.03 |
-9.42 |
-1.45 |
0 |
|
|
136886 |
52118986 |
1 |
BrFO3N4H18C21 |
ABC3D4E18F21 |
-85.8 |
4.74 |
-8.96 |
-1.59 |
0 |
|
|
136887 |
52118987 |
1 |
FO3N4C24H25 |
AB3C4D24E25 |
-101.64 |
2.64 |
-8.71 |
-1.44 |
0 |
|
|
136888 |
52119176 |
1 |
N4O5C23H24 |
A4B5C23D24 |
-120.67 |
1.85 |
-8.36 |
-1.21 |
0 |
|
|
136889 |
52119177 |
1 |
ClO3N4H21C22 |
AB3C4D21E22 |
-56.27 |
6.37 |
-9.03 |
-1.43 |
0 |
|
|
136890 |
52119596 |
1 |
N4O5C20H20 |
A4B5C20D20 |
-106.85 |
6.02 |
-8.58 |
-1.08 |
0 |
|
|
136891 |
52119646 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-69.71 |
4.96 |
-8.91 |
-1.15 |
0 |
|
|
136892 |
52119665 |
1 |
ClN4O5H19C21 |
AB4C5D19E21 |
-113.98 |
5.8 |
-8.34 |
-1.42 |
0 |
|
|
136893 |
52119881 |
1 |
FO3N5H20C21 |
AB3C5D20E21 |
-70.78 |
2.45 |
-8.11 |
-1.58 |
0 |
|
|
136894 |
52119956 |
1 |
FO3N4C20H23 |
AB3C4D20E23 |
-118.23 |
6.83 |
-8.98 |
-1.18 |
1 |
|
|
136895 |
52120037 |
1 |
FO3N5C26H31 |
AB3C5D26E31 |
-48.51 |
4.0 |
0.0 |
0.0 |
1 |
|
|
136896 |
52120149 |
1 |
FO2N4C24H26 |
AB2C4D24E26 |
-28.02 |
10.59 |
0.0 |
0.0 |
0 |
|
|
136897 |
52120218 |
1 |
F2O2N5C25H27 |
A2B2C5D25E27 |
-69.58 |
5.07 |
-8.95 |
-1.0 |
1 |
|
|
136898 |
52120219 |
1 |
F2O2N5C25H28 |
A2B2C5D25E28 |
-63.14 |
8.58 |
0.0 |
0.0 |
0 |
|
|
136899 |
52120220 |
1 |
F2O2N5C25H27 |
A2B2C5D25E27 |
-73.77 |
4.27 |
-8.88 |
-1.02 |
1 |
|
|
136900 |
52120221 |
1 |
ClFO2N5C25H28 |
ABC2D5E25F28 |
-24.08 |
10.81 |
0.0 |
0.0 |
0 |
|
|
136901 |
52120222 |
1 |
ClFO2N5C25H27 |
ABC2D5E25F27 |
-34.22 |
3.81 |
-8.91 |
-0.94 |
0 |
|
|
136902 |
52120748 |
1 |
O3N5C27H33 |
A3B5C27D33 |
-24.6 |
5.66 |
-8.28 |
-0.67 |
0 |
|
|
136903 |
52120876 |
1 |
FN4O4C23H29 |
AB4C4D23E29 |
-163.18 |
6.85 |
-8.86 |
-0.97 |
1 |
|
|
136904 |
52120877 |
1 |
FN4O4C23H30 |
AB4C4D23E30 |
-154.23 |
10.48 |
0.0 |
0.0 |
0 |
|
|
136905 |
52120884 |
1 |
FO3N6C26H35 |
AB3C6D26E35 |
-118.56 |
4.79 |
-8.91 |
-1.03 |
0 |
|
|
136906 |
52121426 |
1 |
O3N5C26H37 |
A3B5C26D37 |
-68.11 |
2.76 |
-8.6 |
-0.93 |
1 |
|
|
136907 |
52121427 |
1 |
O3N5C27H34 |
A3B5C27D34 |
-12.25 |
6.79 |
0.0 |
0.0 |
0 |
|
|
136908 |
52121482 |
1 |
N5O5C28H31 |
A5B5C28D31 |
-109.39 |
6.05 |
-9.22 |
-1.12 |
0 |
|
|
136909 |
52121710 |
2 |
ON2C11H16 |
AB2C11D16 |
-47.28 |
6.38 |
-8.85 |
-0.61 |
1 |
|
|
136910 |
52121711 |
1 |
O2N4C23H35 |
A2B4C23D35 |
-43.81 |
10.79 |
0.0 |
0.0 |
0 |
|
|
136911 |
52121712 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-54.74 |
4.46 |
-8.87 |
-0.58 |
1 |