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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
419861 |
135109447 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-51.44 |
6.42 |
-9.3 |
-0.5 |
0 |
|
|
419862 |
135109448 |
1 |
FNO5C17H22 |
ABC5D17E22 |
-250.88 |
6.43 |
-9.05 |
-0.3 |
0 |
|
|
419863 |
135109449 |
1 |
NCl2O3C17H23 |
AB2C3D17E23 |
-153.33 |
3.8 |
-9.06 |
-0.32 |
0 |
|
|
419864 |
135109450 |
1 |
O3N6C14H18 |
A3B6C14D18 |
-12.77 |
3.13 |
-9.65 |
-0.97 |
0 |
|
|
419865 |
135109451 |
1 |
O8N11C45H55 |
A8B11C45D55 |
-186.77 |
10.06 |
-8.49 |
-1.24 |
0 |
|
|
419866 |
135109452 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
12.85 |
6.38 |
-8.9 |
-0.55 |
0 |
|
|
419867 |
135109453 |
1 |
ClO2N4C19H21 |
AB2C4D19E21 |
-40.54 |
5.61 |
-9.22 |
-0.56 |
0 |
|
|
419868 |
135109454 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-114.99 |
2.73 |
-9.34 |
0.08 |
0 |
|
|
419869 |
135109455 |
1 |
SN2O3C15H24 |
AB2C3D15E24 |
-135.75 |
4.54 |
-8.98 |
-0.24 |
0 |
|
|
419870 |
135109456 |
1 |
FSN2O5C15H21 |
ABC2D5E15F21 |
-227.05 |
2.57 |
-9.22 |
-0.43 |
0 |
|
|
419871 |
135109467 |
1 |
O5N7C28H39 |
A5B7C28D39 |
-164.53 |
6.74 |
-9.46 |
-0.44 |
0 |
|
|
419872 |
135109477 |
1 |
ClNO4C20H22 |
ABC4D20E22 |
-161.33 |
2.9 |
-9.3 |
-1.13 |
0 |
|
|
419873 |
135109479 |
1 |
ON5C21H27 |
AB5C21D27 |
10.39 |
4.15 |
-8.96 |
-0.89 |
0 |
|
|
419875 |
135109512 |
1 |
N5O6C28H41 |
A5B6C28D41 |
-258.13 |
6.96 |
-9.41 |
-0.31 |
0 |
|
|
419876 |
135109533 |
1 |
NF3O5H12C15 |
AB3C5D12E15 |
-316.49 |
5.86 |
-10.43 |
-1.26 |
0 |
|
|
419877 |
135109545 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-99.7 |
4.54 |
-8.88 |
-0.24 |
0 |
|
|
419878 |
135109555 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-39.92 |
5.81 |
-8.65 |
-0.8 |
0 |
|
|
419879 |
135109556 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-42.0 |
3.65 |
-9.29 |
-0.9 |
0 |
|
|
419880 |
135109573 |
1 |
FON3C16H22 |
ABC3D16E22 |
-63.81 |
4.56 |
-8.91 |
-0.23 |
0 |
|
|
419881 |
135109574 |
1 |
ClON4C17H27 |
ABC4D17E27 |
-32.51 |
4.44 |
-8.8 |
-0.3 |
0 |
|
|
419882 |
135109577 |
1 |
ON4C13H18 |
AB4C13D18 |
-2.31 |
4.41 |
-9.11 |
0.01 |
0 |
|
|
419883 |
135109580 |
1 |
SO7N9C37H47 |
AB7C9D37E47 |
-213.96 |
4.5 |
-8.39 |
-0.94 |
0 |
|
|
419884 |
135109581 |
1 |
N7O8C34H47 |
A7B8C34D47 |
-309.24 |
5.41 |
-9.53 |
-0.61 |
0 |
|
|
419885 |
135109582 |
1 |
SN3O3C25H35 |
AB3C3D25E35 |
-128.12 |
4.91 |
-8.42 |
-0.05 |
0 |
|
|
419886 |
135109583 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-186.59 |
6.65 |
-9.53 |
0.12 |
0 |
|
|
419887 |
135109584 |
1 |
FON5C17H18 |
ABC5D17E18 |
-22.77 |
3.21 |
-9.05 |
-0.86 |
0 |
|
|
419889 |
135109586 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-122.03 |
5.97 |
-9.14 |
0.92 |
0 |
|
|
419890 |
135109587 |
1 |
ClNSO6C13H16 |
ABCD6E13F16 |
-245.06 |
6.73 |
-9.42 |
-0.89 |
0 |
|
|
419891 |
135109588 |
1 |
SO4N6C33H42 |
AB4C6D33E42 |
-140.22 |
3.13 |
-8.35 |
-0.85 |
0 |
|
|
419892 |
135109616 |
1 |
N5O6C35H43 |
A5B6C35D43 |
-216.24 |
3.19 |
-9.44 |
-0.45 |
0 |
|
|
419893 |
135109617 |
1 |
ON6C19H20 |
AB6C19D20 |
63.6 |
4.23 |
-9.53 |
-1.2 |
0 |
|
|
419895 |
135109628 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-120.33 |
6.19 |
-8.55 |
-0.17 |
0 |
|
|
419896 |
135109629 |
1 |
ClO2N5C14H16 |
AB2C5D14E16 |
-7.46 |
5.64 |
-9.14 |
-0.9 |
0 |
|
|
419897 |
135109630 |
1 |
ON4C16H28 |
AB4C16D28 |
-49.33 |
2.99 |
-9.0 |
0.79 |
0 |
|
|
419898 |
135109631 |
1 |
O4N7C31H45 |
A4B7C31D45 |
-138.4 |
5.89 |
-8.45 |
0.05 |
0 |
|
|
419899 |
135109632 |
1 |
ClNSO5C18H26 |
ABCD5E18F26 |
-240.6 |
4.21 |
-9.78 |
-0.86 |
0 |
|
|
419900 |
135109633 |
1 |
SO4N9C36H41 |
AB4C9D36E41 |
-29.92 |
5.71 |
-8.73 |
-0.99 |
0 |
|
|
419901 |
135109636 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-49.18 |
3.6 |
-8.37 |
-0.14 |
0 |
|
|
419902 |
135109639 |
2 |
ON2C10H14 |
AB2C10D14 |
-55.5 |
2.3 |
-8.96 |
-0.4 |
0 |
|
|
419903 |
135109647 |
1 |
SN2O6C18H26 |
AB2C6D18E26 |
-252.59 |
9.45 |
-9.62 |
-0.94 |
0 |
|
|
419904 |
135109684 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-86.75 |
4.99 |
-9.54 |
-0.99 |
0 |
|
|
419905 |
135109691 |
1 |
ON2C16H24 |
AB2C16D24 |
-39.41 |
2.37 |
-8.53 |
0.25 |
0 |
|
|
419906 |
135109692 |
1 |
ClN5C13H16 |
AB5C13D16 |
37.92 |
5.15 |
-9.04 |
-0.39 |
0 |
|
|
419907 |
135109693 |
1 |
FN3O3C19H22 |
AB3C3D19E22 |
-131.95 |
2.63 |
-9.17 |
-0.15 |
0 |
|
|
419908 |
135109694 |
1 |
ClN3O4C17H20 |
AB3C4D17E20 |
-136.37 |
5.17 |
-9.08 |
-0.55 |
0 |
|
|
419909 |
135109695 |
1 |
ON4C16H22 |
AB4C16D22 |
6.87 |
2.98 |
-8.65 |
0.0 |
0 |
|
|
419910 |
135109696 |
1 |
SN2O5C20H28 |
AB2C5D20E28 |
-197.33 |
9.16 |
-9.07 |
-0.45 |
0 |
|
|
419911 |
135109697 |
1 |
ON5C20H25 |
AB5C20D25 |
24.07 |
5.59 |
-8.4 |
0.24 |
0 |
|
|
419912 |
135109698 |
1 |
ClON4C10H13 |
ABC4D10E13 |
-14.69 |
5.75 |
-8.99 |
-0.47 |
0 |
|
|
419914 |
135109700 |
1 |
N3O4C23H25 |
A3B4C23D25 |
-58.84 |
6.18 |
-8.75 |
-0.48 |
0 |
|
|
419915 |
135109701 |
1 |
ON5C21H23 |
AB5C21D23 |
71.6 |
2.36 |
-9.0 |
-0.78 |
0 |
|
|
419916 |
135109702 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-173.14 |
7.57 |
-9.32 |
-0.26 |
0 |
|
|
419917 |
135109730 |
1 |
SO4N6C30H42 |
AB4C6D30E42 |
-146.77 |
5.24 |
-8.87 |
-0.44 |
0 |
|
|
419919 |
135109758 |
1 |
FNO3C14H18 |
ABC3D14E18 |
-171.45 |
3.36 |
-9.18 |
-0.06 |
0 |
|
|
419920 |
135109762 |
1 |
O5N8C31H48 |
A5B8C31D48 |
-174.04 |
12.77 |
-8.29 |
-0.44 |
0 |
|
|
419921 |
135109793 |
1 |
SN6O7C34H42 |
AB6C7D34E42 |
-186.31 |
12.14 |
-8.37 |
-1.78 |
0 |
|
|
419922 |
135109815 |
1 |
ON4C16H18 |
AB4C16D18 |
18.66 |
4.35 |
-8.98 |
-0.43 |
0 |
|
|
419923 |
135109816 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-66.89 |
4.34 |
-9.22 |
-0.61 |
0 |
|
|
419924 |
135109817 |
1 |
N3O3C24H29 |
A3B3C24D29 |
-79.1 |
0.23 |
-9.02 |
-0.82 |
0 |
|
|
419925 |
135109818 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-91.88 |
3.54 |
-9.55 |
-0.61 |
0 |
|
|
419926 |
135109819 |
1 |
O3N5C17H27 |
A3B5C17D27 |
-95.52 |
5.44 |
-8.75 |
0.11 |
0 |
|
|
419927 |
135109820 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-132.89 |
2.57 |
-8.95 |
0.07 |
0 |
|
|
419928 |
135109821 |
1 |
ClO2N3C17H22 |
AB2C3D17E22 |
-49.11 |
3.97 |
-8.71 |
0.25 |
0 |
|
|
419929 |
135109822 |
1 |
N3O3C25H41 |
A3B3C25D41 |
-133.81 |
2.18 |
-8.34 |
0.22 |
0 |
|
|
419930 |
135109823 |
1 |
FON5C16H18 |
ABC5D16E18 |
-5.87 |
3.08 |
-9.38 |
-0.69 |
0 |
|
|
419931 |
135109824 |
2 |
NO2C9H13 |
AB2C9D13 |
-178.92 |
4.5 |
-8.78 |
0.15 |
0 |
|
|
419932 |
135109825 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-23.87 |
4.78 |
-8.93 |
-0.65 |
0 |
|
|
419933 |
135109831 |
1 |
NOC17H25 |
ABC17D25 |
-55.38 |
2.74 |
-8.5 |
0.69 |
0 |
|
|
419934 |
135109847 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-31.1 |
3.86 |
-9.6 |
-0.24 |
0 |
|
|
419935 |
135109865 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-143.38 |
5.64 |
-9.61 |
-0.3 |
0 |
|
|
419936 |
135109892 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-104.19 |
5.41 |
-8.64 |
-0.41 |
0 |
|
|
419937 |
135109893 |
1 |
OSN3C19H21 |
ABC3D19E21 |
23.76 |
2.7 |
-8.87 |
-0.72 |
0 |
|
|
419938 |
135109896 |
1 |
SN3O5C16H23 |
AB3C5D16E23 |
-193.24 |
4.04 |
-9.12 |
-0.39 |
0 |
|
|
419939 |
135109898 |
1 |
SO2N3C20H31 |
AB2C3D20E31 |
-67.75 |
2.8 |
-8.63 |
-0.59 |
0 |
|
|
419940 |
135109955 |
1 |
FNOC19H26 |
ABCD19E26 |
-70.85 |
4.17 |
-8.67 |
0.05 |
0 |
|
|
419941 |
135109970 |
1 |
OF3N5C17H20 |
AB3C5D17E20 |
-136.62 |
6.99 |
-8.92 |
-0.42 |
0 |
|
|
419942 |
135109971 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-82.71 |
4.61 |
-8.77 |
0.69 |
0 |
|
|
419943 |
135109983 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-162.56 |
6.39 |
-9.4 |
0.17 |
0 |
|
|
419944 |
135109984 |
2 |
NO2C9H16 |
AB2C9D16 |
-212.24 |
3.53 |
-8.85 |
1.1 |
0 |
|
|
419945 |
135109987 |
1 |
NO4C23H27 |
AB4C23D27 |
-133.7 |
3.81 |
-9.08 |
-0.3 |
0 |
|
|
419946 |
135110067 |
1 |
O4N5C24H35 |
A4B5C24D35 |
-163.26 |
12.51 |
-9.49 |
0.02 |
0 |
|
|
419947 |
135110077 |
1 |
ON3C14H21 |
AB3C14D21 |
-35.6 |
2.79 |
-8.81 |
0.05 |
0 |
|
|
419948 |
135110084 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-130.49 |
3.29 |
-9.06 |
-0.17 |
0 |
|
|
419949 |
135110085 |
1 |
ClFN6O7C35H44 |
ABC6D7E35F44 |
-333.69 |
10.42 |
-9.15 |
-0.78 |
0 |
|
|
419950 |
135110091 |
1 |
N2O6C19H26 |
A2B6C19D26 |
-270.8 |
6.74 |
-9.1 |
-0.33 |
0 |
|
|
419951 |
135110092 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-76.29 |
4.77 |
-9.12 |
0.79 |
0 |
|
|
419952 |
135110130 |
1 |
NOC23H29 |
ABC23D29 |
-31.01 |
2.54 |
-8.65 |
0.37 |
0 |
|
|
419953 |
135110142 |
1 |
N7C15H23 |
A7B15C23 |
63.86 |
3.79 |
-8.47 |
0.07 |
0 |
|
|
419955 |
135110190 |
2 |
NOC7H10 |
ABC7D10 |
-79.36 |
3.11 |
-9.83 |
-0.22 |
0 |
|
|
419956 |
135110214 |
1 |
ON4C21H24 |
AB4C21D24 |
13.17 |
4.39 |
-8.57 |
-0.91 |
0 |
|
|
419957 |
135110215 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-127.54 |
4.43 |
-9.24 |
0.17 |
0 |
|
|
419958 |
135110225 |
1 |
N5O6C28H39 |
A5B6C28D39 |
-224.0 |
8.72 |
-8.6 |
-0.16 |
0 |
|
|
419960 |
135110234 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-55.53 |
5.44 |
-8.61 |
-0.32 |
0 |
|
|
419961 |
135110282 |
1 |
N5O7C38H53 |
A5B7C38D53 |
-298.62 |
3.38 |
-9.09 |
-0.63 |
0 |
|
|
419962 |
135110302 |
1 |
N5O7C33H41 |
A5B7C33D41 |
-250.48 |
5.88 |
-8.76 |
-0.15 |
0 |
|
|
419963 |
135110312 |
1 |
ON4C15H18 |
AB4C15D18 |
14.63 |
2.24 |
-9.48 |
-0.35 |
0 |
|
|
419964 |
135110316 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-87.87 |
4.22 |
-8.79 |
0.22 |
0 |
|
|
419965 |
135110317 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-74.41 |
5.63 |
-9.21 |
-0.94 |
0 |
|
|
419966 |
135110345 |
1 |
SF3O3N4C11H13 |
AB3C3D4E11F13 |
-245.7 |
4.49 |
-9.85 |
-0.94 |
0 |
|
|
419967 |
135110353 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-131.43 |
7.69 |
-8.99 |
-0.3 |
0 |