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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145864 |
53604535 |
1 |
FNO4C17H18 |
ABC4D17E18 |
-174.21 |
6.84 |
-8.76 |
-0.3 |
0 |
|
|
145865 |
53604605 |
1 |
ClO2N4C17H19 |
AB2C4D17E19 |
-45.42 |
8.18 |
-9.15 |
-1.37 |
0 |
|
|
145866 |
53604606 |
1 |
SO2N4C15H16 |
AB2C4D15E16 |
-4.29 |
6.67 |
-9.22 |
-1.1 |
0 |
|
|
145867 |
53604607 |
1 |
N2O2C19H20 |
A2B2C19D20 |
-53.98 |
7.78 |
-9.49 |
-0.15 |
0 |
|
|
145868 |
53604973 |
1 |
O2N3C18H35 |
A2B3C18D35 |
-120.03 |
5.37 |
-8.76 |
1.15 |
0 |
|
|
145869 |
53605303 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-22.52 |
3.42 |
-8.76 |
-0.27 |
0 |
|
|
145870 |
53605304 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-69.22 |
5.99 |
-8.78 |
-0.33 |
0 |
|
|
145871 |
53605538 |
1 |
O2F3N3C14H14 |
A2B3C3D14E14 |
-167.22 |
5.09 |
-9.75 |
-0.98 |
0 |
|
|
145872 |
53605765 |
2 |
N3C9H11 |
A3B9C11 |
87.17 |
7.31 |
-8.95 |
-0.92 |
0 |
|
|
145873 |
53605766 |
1 |
ON6C17H22 |
AB6C17D22 |
40.13 |
4.23 |
-9.17 |
-0.69 |
0 |
|
|
145874 |
53605767 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-16.89 |
3.09 |
-8.81 |
0.1 |
0 |
|
|
145875 |
53605931 |
1 |
NSO3C14H21 |
ABC3D14E21 |
-136.29 |
4.47 |
-9.6 |
0.04 |
0 |
|
|
145876 |
53606020 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-63.25 |
3.06 |
-8.93 |
-0.41 |
0 |
|
|
145877 |
53606187 |
1 |
BrN2O2C16H17 |
AB2C2D16E17 |
-50.12 |
1.4 |
-9.1 |
-0.38 |
0 |
|
|
145878 |
53606188 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-25.56 |
7.12 |
-8.77 |
-0.07 |
0 |
|
|
145879 |
53606189 |
1 |
SF2N2O3C14H14 |
AB2C2D3E14F14 |
-186.64 |
5.11 |
-9.08 |
-0.69 |
0 |
|
|
145880 |
53606198 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
20.04 |
1.26 |
-8.64 |
-1.08 |
0 |
|
|
145881 |
53607010 |
1 |
ON5C18H19 |
AB5C18D19 |
45.74 |
3.17 |
-8.79 |
-1.37 |
0 |
|
|
145882 |
53607188 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-51.92 |
4.04 |
-9.01 |
0.08 |
0 |
|
|
145883 |
53607354 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-77.9 |
4.7 |
-8.88 |
-0.04 |
0 |
|
|
145884 |
53607439 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-48.43 |
3.57 |
-8.98 |
-1.05 |
0 |
|
|
145885 |
53607440 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-16.12 |
2.16 |
-8.71 |
-1.43 |
0 |
|
|
145886 |
53607441 |
1 |
FN2S2O4H11C12 |
AB2C2D4E11F12 |
-146.36 |
5.19 |
-8.57 |
-1.52 |
0 |
|
|
145887 |
53607563 |
1 |
NSO3C11H11 |
ABC3D11E11 |
-76.43 |
1.57 |
-9.3 |
-1.34 |
0 |
|
|
145888 |
53607564 |
1 |
N5C17H19 |
A5B17C19 |
91.27 |
5.57 |
-8.63 |
-0.6 |
0 |
|
|
145889 |
53608185 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-1.6 |
5.08 |
-8.86 |
-0.78 |
0 |
|
|
145890 |
53608228 |
1 |
ClO2N4C15H15 |
AB2C4D15E15 |
-18.87 |
9.83 |
-8.76 |
-0.6 |
0 |
|
|
145891 |
53608283 |
1 |
O2N4C17H18 |
A2B4C17D18 |
-12.09 |
3.27 |
-9.35 |
-0.63 |
0 |
|
|
145892 |
53608284 |
1 |
FSN2O2C15H17 |
ABC2D2E15F17 |
-68.15 |
6.17 |
-9.26 |
-1.06 |
0 |
|
|
145893 |
53608285 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-153.47 |
7.74 |
-9.41 |
-1.04 |
0 |
|
|
145894 |
53608404 |
1 |
OSN4C15H20 |
ABC4D15E20 |
14.96 |
4.14 |
-9.44 |
-0.82 |
0 |
|
|
145895 |
53608429 |
1 |
FN3O3C16H20 |
AB3C3D16E20 |
-70.56 |
2.46 |
-8.8 |
-1.88 |
0 |
|
|
145896 |
53608445 |
1 |
ClSO4C11H11 |
ABC4D11E11 |
-141.76 |
4.1 |
-8.94 |
-0.69 |
0 |
|
|
145897 |
53608875 |
1 |
OSN4C12H12 |
ABC4D12E12 |
61.21 |
3.58 |
-8.84 |
-0.77 |
0 |
|
|
145898 |
53608876 |
1 |
O2N4C23H36 |
A2B4C23D36 |
-104.28 |
5.66 |
-8.73 |
-0.14 |
0 |
|
|
145899 |
53609080 |
1 |
FN5C18H22 |
AB5C18D22 |
32.17 |
3.97 |
-9.42 |
-1.06 |
0 |
|
|
145900 |
53609081 |
1 |
ON7C17H27 |
AB7C17D27 |
17.25 |
8.33 |
-8.78 |
0.45 |
0 |
|
|
145901 |
53609325 |
1 |
N4O4C15H18 |
A4B4C15D18 |
-113.87 |
3.39 |
-8.81 |
-0.37 |
0 |
|
|
145902 |
53609653 |
1 |
FON3C15H20 |
ABC3D15E20 |
-29.45 |
4.7 |
-8.67 |
-0.92 |
0 |
|
|
145903 |
53609667 |
1 |
SN2O3C15H24 |
AB2C3D15E24 |
-108.15 |
5.73 |
-8.73 |
-0.09 |
0 |
|
|
145904 |
53609668 |
1 |
ON6C16H18 |
AB6C16D18 |
57.18 |
5.61 |
-9.4 |
-1.1 |
0 |
|
|
145905 |
53609669 |
1 |
ON6C18H24 |
AB6C18D24 |
22.87 |
2.96 |
-8.72 |
-0.37 |
0 |
|
|
145906 |
53609670 |
1 |
ON5C18H25 |
AB5C18D25 |
0.14 |
8.17 |
-8.3 |
-0.22 |
0 |
|
|
145907 |
53610301 |
2 |
N3C8H10 |
A3B8C10 |
110.43 |
4.13 |
-9.01 |
-0.34 |
0 |
|
|
145908 |
53610502 |
1 |
NSO3C17H19 |
ABC3D17E19 |
-91.98 |
2.29 |
-9.47 |
-0.16 |
0 |
|
|
145909 |
53610503 |
1 |
ON6C15H18 |
AB6C15D18 |
71.0 |
1.34 |
-8.52 |
-0.87 |
0 |
|
|
145910 |
53610752 |
1 |
O2N5H15C17 |
A2B5C15D17 |
8.27 |
8.62 |
-8.24 |
-1.5 |
0 |
|
|
145911 |
53610929 |
1 |
O2N4C17H18 |
A2B4C17D18 |
-16.12 |
4.49 |
-8.58 |
-0.56 |
0 |
|
|
145912 |
53610930 |
1 |
O2N3C18H19 |
A2B3C18D19 |
-11.79 |
6.43 |
-8.74 |
-0.27 |
0 |
|
|
145913 |
53611786 |
1 |
OSN5C16H23 |
ABC5D16E23 |
3.62 |
4.26 |
-9.09 |
-0.18 |
0 |
|
|
145914 |
53611787 |
1 |
ON7C17H25 |
AB7C17D25 |
43.32 |
4.87 |
-9.41 |
-0.28 |
0 |
|
|
145915 |
53611788 |
1 |
FN3O3C17H18 |
AB3C3D17E18 |
-138.03 |
5.16 |
-8.97 |
-0.41 |
0 |
|
|
145916 |
53611789 |
1 |
ON6C17H24 |
AB6C17D24 |
16.36 |
5.33 |
-9.22 |
-0.42 |
0 |
|
|
145917 |
53611790 |
1 |
ON6C15H24 |
AB6C15D24 |
27.38 |
7.53 |
-9.12 |
-0.2 |
0 |
|
|
145918 |
53611791 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-151.34 |
3.63 |
-9.38 |
-0.66 |
0 |
|
|
145919 |
53611792 |
1 |
OSN4C13H16 |
ABC4D13E16 |
50.23 |
5.32 |
-9.4 |
-0.88 |
0 |
|
|
145920 |
53612339 |
2 |
ON2C10H10 |
AB2C10D10 |
-3.14 |
5.75 |
-8.67 |
-0.96 |
0 |
|
|
145921 |
53612573 |
1 |
ClON2S2H11C13 |
ABC2D2E11F13 |
36.39 |
4.11 |
-9.48 |
-0.73 |
0 |
|
|
145922 |
53612993 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-83.61 |
6.26 |
-9.23 |
-0.49 |
0 |
|
|
145923 |
53613453 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-22.17 |
3.94 |
-8.91 |
0.16 |
0 |
|
|
145924 |
53613481 |
1 |
SO2N5C15H29 |
AB2C5D15E29 |
-67.49 |
6.52 |
-9.07 |
0.34 |
0 |
|
|
145925 |
53613521 |
1 |
ON6C15H20 |
AB6C15D20 |
36.23 |
4.4 |
-8.71 |
-0.39 |
0 |
|
|
145926 |
53613537 |
1 |
OSN5C17H19 |
ABC5D17E19 |
67.04 |
4.65 |
-9.27 |
-0.84 |
0 |
|
|
145927 |
53613538 |
1 |
SN3O3C15H25 |
AB3C3D15E25 |
-162.04 |
5.2 |
-9.48 |
-0.96 |
0 |
|
|
145928 |
53614162 |
1 |
OSN5C18H19 |
ABC5D18E19 |
66.29 |
5.22 |
-9.34 |
-1.26 |
0 |
|
|
145929 |
53614493 |
1 |
ON6C17H22 |
AB6C17D22 |
57.34 |
9.15 |
-9.13 |
-1.04 |
0 |
|
|
145930 |
53614531 |
1 |
O2N3H19C20 |
A2B3C19D20 |
5.32 |
7.66 |
-8.69 |
-0.79 |
0 |
|
|
145931 |
53614814 |
1 |
O2N5C15H19 |
A2B5C15D19 |
5.92 |
6.35 |
-9.34 |
-0.51 |
0 |
|
|
145932 |
53615112 |
1 |
SO2N5C14H19 |
AB2C5D14E19 |
-22.24 |
1.8 |
-9.21 |
-0.26 |
0 |
|
|
145933 |
53615268 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-24.1 |
5.8 |
-9.29 |
-0.76 |
0 |
|
|
145934 |
53615584 |
1 |
FN3O3C18H24 |
AB3C3D18E24 |
-156.53 |
3.64 |
-9.14 |
-0.82 |
0 |
|
|
145935 |
53615585 |
1 |
N2S2O3C15H28 |
A2B2C3D15E28 |
-161.17 |
5.65 |
-8.92 |
0.11 |
0 |
|
|
145936 |
53615917 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-87.73 |
1.86 |
-9.13 |
-0.32 |
0 |
|
|
145937 |
53615918 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-183.94 |
7.63 |
-8.99 |
-0.46 |
0 |
|
|
145938 |
53615919 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-124.23 |
4.87 |
-9.16 |
-0.32 |
0 |
|
|
145939 |
53615920 |
1 |
OF2N2C20H24 |
AB2C2D20E24 |
-92.11 |
2.41 |
-8.72 |
-0.26 |
0 |
|
|
145940 |
53615921 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-66.62 |
5.04 |
-8.35 |
0.13 |
0 |
|
|
145941 |
53616071 |
1 |
ON5C19H21 |
AB5C19D21 |
38.96 |
4.08 |
-9.38 |
-0.92 |
0 |
|
|
145942 |
53616227 |
1 |
N5C11H17 |
A5B11C17 |
66.49 |
6.41 |
-8.91 |
0.69 |
0 |
|
|
145943 |
53616304 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-56.16 |
9.22 |
-8.76 |
-0.48 |
0 |
|
|
145944 |
53616995 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-88.96 |
2.72 |
-8.52 |
-1.2 |
0 |
|
|
145945 |
53617013 |
1 |
OSN5C15H15 |
ABC5D15E15 |
57.09 |
2.85 |
-9.23 |
-1.21 |
0 |
|
|
145946 |
53617536 |
1 |
ON5C17H23 |
AB5C17D23 |
18.39 |
2.41 |
-9.01 |
0.26 |
0 |
|
|
145947 |
53617738 |
1 |
N5C15H21 |
A5B15C21 |
58.52 |
4.37 |
-9.52 |
-0.22 |
0 |
|
|
145948 |
53617739 |
1 |
O2N4C15H28 |
A2B4C15D28 |
-56.98 |
3.34 |
-8.7 |
-0.27 |
0 |
|
|
145949 |
53617821 |
1 |
SN2F3O4C12H15 |
AB2C3D4E12F15 |
-311.9 |
4.77 |
-9.64 |
-0.87 |
0 |
|
|
145950 |
53618124 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-15.43 |
4.97 |
-8.88 |
0.04 |
0 |
|
|
145951 |
53618125 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-55.07 |
5.54 |
-8.8 |
-0.29 |
0 |
|
|
145952 |
53618126 |
1 |
FN5C16H18 |
AB5C16D18 |
52.95 |
5.72 |
-9.19 |
-0.82 |
0 |
|
|
145953 |
53618127 |
1 |
ON5C17H21 |
AB5C17D21 |
58.93 |
9.95 |
-9.27 |
-0.42 |
0 |
|
|
145954 |
53618128 |
2 |
ON2C7H11 |
AB2C7D11 |
-42.42 |
5.51 |
-9.09 |
-0.09 |
0 |
|
|
145955 |
53618253 |
1 |
ON5C19H23 |
AB5C19D23 |
29.71 |
5.49 |
-9.11 |
-0.72 |
0 |
|
|
145956 |
53618254 |
1 |
OS2N5H13C15 |
AB2C5D13E15 |
77.9 |
7.72 |
-9.1 |
-1.54 |
0 |
|
|
145957 |
53618255 |
1 |
N3O5C20H23 |
A3B5C20D23 |
-115.01 |
7.9 |
-8.41 |
-0.6 |
0 |
|
|
145958 |
53618256 |
1 |
O2N5H25C26 |
A2B5C25D26 |
32.59 |
1.43 |
-8.83 |
-0.63 |
0 |
|
|
145959 |
53618257 |
2 |
N2O2C13H13 |
A2B2C13D13 |
-59.24 |
5.14 |
-8.08 |
-0.86 |
0 |
|
|
145960 |
53618258 |
1 |
N7C16H21 |
A7B16C21 |
94.04 |
1.75 |
-8.79 |
-0.42 |
0 |
|
|
145961 |
53618409 |
1 |
SN2O2C24H26 |
AB2C2D24E26 |
-32.84 |
1.8 |
-8.52 |
-0.6 |
0 |
|
|
145962 |
53618487 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-124.23 |
2.19 |
-8.98 |
-0.5 |
0 |
|
|
145963 |
53618671 |
1 |
ON4C19H20 |
AB4C19D20 |
45.8 |
6.52 |
-9.28 |
-1.07 |
0 |