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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
39853 |
8142575 |
1 |
N3O5C17H19 |
A3B5C17D19 |
-179.17 |
8.99 |
-9.24 |
-0.87 |
0 |
|
|
39854 |
8142577 |
1 |
Cl2N2O2H12C15 |
A2B2C2D12E15 |
-41.39 |
3.61 |
-8.45 |
-0.36 |
0 |
|
|
39855 |
8142579 |
1 |
NO6C24H31 |
AB6C24D31 |
-257.43 |
3.82 |
-8.72 |
0.16 |
0 |
|
|
39856 |
8142580 |
1 |
NO6C24H31 |
AB6C24D31 |
-246.31 |
3.89 |
-8.84 |
-0.03 |
0 |
|
|
39857 |
8142582 |
1 |
ON2S2C20H24 |
AB2C2D20E24 |
0.52 |
7.85 |
-8.23 |
-1.24 |
0 |
|
|
39858 |
8142583 |
1 |
SN4O4H16C20 |
AB4C4D16E20 |
-85.27 |
8.77 |
-9.1 |
-1.64 |
1 |
|
|
39859 |
8142586 |
1 |
ON4C23H29 |
AB4C23D29 |
37.65 |
4.36 |
0.0 |
0.0 |
0 |
|
|
39860 |
8142587 |
1 |
ON4C23H28 |
AB4C23D28 |
19.32 |
2.42 |
-8.3 |
-0.01 |
0 |
|
|
39861 |
8142588 |
2 |
ClNC6H6 |
ABC6D6 |
19.48 |
4.15 |
-8.91 |
-0.82 |
1 |
|
|
39862 |
8142589 |
1 |
OSN3C21H24 |
ABC3D21E24 |
42.81 |
13.49 |
0.0 |
0.0 |
0 |
|
|
39863 |
8142590 |
1 |
OSN3C21H23 |
ABC3D21E23 |
31.47 |
2.53 |
-8.85 |
-0.57 |
1 |
|
|
39864 |
8142593 |
1 |
O2N4C22H31 |
A2B4C22D31 |
-20.27 |
3.46 |
0.0 |
0.0 |
0 |
|
|
39865 |
8142596 |
1 |
O2S2N3C18H29 |
A2B2C3D18E29 |
-89.46 |
6.52 |
-8.12 |
-0.32 |
0 |
|
|
39866 |
8142599 |
1 |
N2O5C14H16 |
A2B5C14D16 |
-162.65 |
2.24 |
-9.6 |
-0.23 |
0 |
|
|
39867 |
8142602 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-56.26 |
2.73 |
-9.15 |
0.28 |
1 |
|
|
39868 |
8142603 |
1 |
NO3C20H22 |
AB3C20D22 |
-63.14 |
1.91 |
0.0 |
0.0 |
1 |
|
|
39869 |
8142605 |
1 |
FSN3O3C21H27 |
ABC3D3E21F27 |
-108.89 |
5.17 |
0.0 |
0.0 |
0 |
|
|
39870 |
8142612 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-103.13 |
5.55 |
-8.71 |
-0.42 |
2 |
|
|
39871 |
8142623 |
1 |
FO2N4C23H31 |
AB2C4D23E31 |
-84.74 |
1.62 |
-8.42 |
-0.09 |
0 |
|
|
39872 |
8142630 |
2 |
ON2C10H11 |
AB2C10D11 |
-32.04 |
1.62 |
-9.07 |
-0.84 |
0 |
|
|
39873 |
8142631 |
2 |
N2O3C10H11 |
A2B3C10D11 |
-158.07 |
6.44 |
-9.52 |
-0.56 |
1 |
|
|
39874 |
8142632 |
1 |
O3N4C23H31 |
A3B4C23D31 |
-84.1 |
6.13 |
0.0 |
0.0 |
0 |
|
|
39875 |
8142646 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-93.94 |
6.69 |
-8.73 |
-0.39 |
1 |
|
|
39876 |
8142648 |
1 |
OSN3C21H26 |
ABC3D21E26 |
34.74 |
3.56 |
0.0 |
0.0 |
0 |
|
|
39877 |
8142664 |
1 |
SN3O3C23H31 |
AB3C3D23E31 |
-98.23 |
4.0 |
-8.97 |
-0.52 |
0 |
|
|
39878 |
8142666 |
1 |
FSN3O3C21H26 |
ABC3D3E21F26 |
-126.67 |
2.34 |
-9.03 |
-0.95 |
0 |
|
|
39879 |
8142672 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-34.48 |
4.51 |
-8.65 |
0.18 |
1 |
|
|
39880 |
8142673 |
1 |
O2N3C21H28 |
A2B3C21D28 |
-22.82 |
5.06 |
0.0 |
0.0 |
1 |
|
|
39881 |
8142675 |
1 |
ClON3C21H27 |
ABC3D21E27 |
9.28 |
7.5 |
0.0 |
0.0 |
1 |
|
|
39882 |
8142691 |
1 |
ON5C19H26 |
AB5C19D26 |
38.17 |
2.67 |
0.0 |
0.0 |
0 |
|
|
39883 |
8142703 |
1 |
OSN3C20H23 |
ABC3D20E23 |
19.8 |
4.87 |
-8.58 |
-0.36 |
1 |
|
|
39884 |
8142724 |
1 |
N3C10H16 |
A3B10C16 |
24.5 |
1.36 |
0.0 |
0.0 |
1 |
|
|
39885 |
8142744 |
1 |
N2O3C14H21 |
A2B3C14D21 |
-108.07 |
4.88 |
0.0 |
0.0 |
0 |
|
|
39886 |
8142745 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-119.35 |
4.11 |
-9.22 |
0.18 |
1 |
|
|
39887 |
8142753 |
1 |
O2N3C22H30 |
A2B3C22D30 |
-43.34 |
5.23 |
0.0 |
0.0 |
0 |
|
|
39888 |
8142758 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-100.22 |
8.13 |
-9.19 |
-0.48 |
0 |
|
|
39889 |
8143146 |
1 |
ClON3C20H22 |
ABC3D20E22 |
4.57 |
8.4 |
-9.06 |
-0.47 |
1 |
|
|
39890 |
8143147 |
1 |
O2N4C23H27 |
A2B4C23D27 |
-10.5 |
9.4 |
0.0 |
0.0 |
0 |
|
|
39891 |
8143148 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-23.54 |
7.68 |
-8.86 |
-0.46 |
1 |
|
|
39892 |
8143149 |
1 |
ON3C21H26 |
AB3C21D26 |
20.7 |
8.58 |
0.0 |
0.0 |
0 |
|
|
39893 |
8143150 |
1 |
ON3C21H25 |
AB3C21D25 |
4.97 |
7.73 |
-9.0 |
-0.41 |
1 |
|
|
39894 |
8143157 |
1 |
ClON4C23H24 |
ABC4D23E24 |
48.51 |
5.11 |
0.0 |
0.0 |
1 |
|
|
39895 |
8143159 |
1 |
ON4C21H23 |
AB4C21D23 |
66.04 |
8.31 |
0.0 |
0.0 |
0 |
|
|
39896 |
8143160 |
1 |
ON4C21H22 |
AB4C21D22 |
43.24 |
3.66 |
-9.3 |
-0.75 |
1 |
|
|
39897 |
8143161 |
1 |
O2N4C22H33 |
A2B4C22D33 |
-56.61 |
8.22 |
0.0 |
0.0 |
0 |
|
|
39898 |
8143162 |
2 |
ON2C11H16 |
AB2C11D16 |
-72.11 |
6.07 |
-9.13 |
-0.61 |
0 |
|
|
39899 |
8143163 |
1 |
NS2O4C12H13 |
AB2C4D12E13 |
-135.93 |
2.92 |
-8.97 |
-0.77 |
1 |
|
|
39900 |
8143164 |
1 |
O3N5C22H26 |
A3B5C22D26 |
-54.7 |
11.7 |
0.0 |
0.0 |
0 |
|
|
39901 |
8143166 |
1 |
Cl2O3H18C21 |
A2B3C18D21 |
-102.54 |
2.74 |
-8.76 |
-0.31 |
0 |
|
|
39902 |
8143173 |
1 |
PCl2N3C20H32 |
AB2C3D20E32 |
-67.3 |
9.27 |
-7.55 |
0.55 |
1 |
|
|
39903 |
8143175 |
1 |
O3N5C19H28 |
A3B5C19D28 |
-91.6 |
8.75 |
0.0 |
0.0 |
0 |
|
|
39904 |
8143176 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-106.42 |
8.87 |
-8.93 |
-0.36 |
0 |
|
|
39905 |
8143177 |
1 |
ON2C22H28 |
AB2C22D28 |
0.2 |
5.28 |
-9.1 |
0.17 |
0 |
|
|
39906 |
8143178 |
1 |
ON2C22H28 |
AB2C22D28 |
-7.23 |
3.62 |
-9.16 |
0.11 |
0 |
|
|
39907 |
8143180 |
1 |
O3N5C23H27 |
A3B5C23D27 |
-70.92 |
8.17 |
-9.19 |
-0.59 |
0 |
|
|
39908 |
8143181 |
1 |
ClNF3O3H17C18 |
ABC3D3E17F18 |
-253.9 |
1.49 |
-8.84 |
-0.41 |
0 |
|
|
39909 |
8143182 |
1 |
ClNF3O3H17C18 |
ABC3D3E17F18 |
-253.74 |
3.85 |
-9.04 |
-0.37 |
0 |
|
|
39910 |
8143185 |
1 |
ON3C15H25 |
AB3C15D25 |
-38.06 |
3.9 |
-9.07 |
0.62 |
1 |
|
|
39911 |
8143191 |
1 |
O3N5C19H28 |
A3B5C19D28 |
-79.24 |
6.43 |
0.0 |
0.0 |
1 |
|
|
39912 |
8143194 |
1 |
O3N5C20H30 |
A3B5C20D30 |
-97.5 |
12.0 |
0.0 |
0.0 |
0 |
|
|
39913 |
8143195 |
1 |
O3N5C20H29 |
A3B5C20D29 |
-118.4 |
6.27 |
-9.21 |
-0.61 |
0 |
|
|
39914 |
8143197 |
1 |
FO2N4C22H25 |
AB2C4D22E25 |
-78.47 |
8.06 |
-9.29 |
-0.97 |
0 |
|
|
39915 |
8143200 |
1 |
PN2O3C22H27 |
AB2C3D22E27 |
-154.57 |
3.87 |
-8.79 |
0.02 |
1 |
|
|
39916 |
8143201 |
1 |
N4O4C19H21 |
A4B4C19D21 |
-2.33 |
3.19 |
0.0 |
0.0 |
0 |
|
|
39917 |
8143202 |
1 |
N4O4C19H20 |
A4B4C19D20 |
-18.84 |
6.51 |
-9.34 |
-1.5 |
1 |
|
|
39918 |
8143209 |
1 |
ClO2N3C19H21 |
AB2C3D19E21 |
-6.23 |
8.72 |
0.0 |
0.0 |
0 |
|
|
39919 |
8143210 |
1 |
ClO2N3C19H20 |
AB2C3D19E20 |
-20.15 |
5.78 |
-9.23 |
-0.74 |
0 |
|
|
39920 |
8143213 |
1 |
N5O5H11C15 |
A5B5C11D15 |
34.9 |
9.2 |
-9.46 |
-2.1 |
1 |
|
|
39921 |
8143214 |
1 |
O2N3C20H24 |
A2B3C20D24 |
-6.85 |
8.85 |
0.0 |
0.0 |
0 |
|
|
39922 |
8143215 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-21.25 |
8.43 |
-9.04 |
-0.44 |
1 |
|
|
39923 |
8143216 |
1 |
O3N5C22H30 |
A3B5C22D30 |
-45.95 |
5.34 |
0.0 |
0.0 |
0 |
|
|
39924 |
8143217 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-63.36 |
11.17 |
-8.97 |
-0.4 |
1 |
|
|
39925 |
8143219 |
1 |
ClO2N4C22H22 |
AB2C4D22E22 |
24.33 |
10.0 |
0.0 |
0.0 |
0 |
|
|
39926 |
8143220 |
1 |
ClO2N4H21C22 |
AB2C4D21E22 |
8.24 |
6.42 |
-9.4 |
-1.18 |
0 |
|
|
39927 |
8143221 |
1 |
N2O3C11H16 |
A2B3C11D16 |
-116.43 |
6.15 |
-10.11 |
-1.1 |
0 |
|
|
39928 |
8143223 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
18.23 |
8.46 |
-9.3 |
-1.33 |
0 |
|
|
39929 |
8143224 |
2 |
NO2C12H16 |
AB2C12D16 |
-119.29 |
3.71 |
-8.16 |
-0.55 |
-1 |
|
|
39930 |
8143225 |
1 |
N2O3H19C20 |
A2B3C19D20 |
-35.53 |
9.58 |
0.0 |
0.0 |
1 |
|
|
39931 |
8143226 |
1 |
O3N4C22H23 |
A3B4C22D23 |
24.45 |
8.57 |
0.0 |
0.0 |
0 |
|
|
39932 |
8143227 |
1 |
O3N4C22H22 |
A3B4C22D22 |
12.53 |
9.94 |
-9.2 |
-1.0 |
0 |
|
|
39933 |
8143228 |
1 |
ON2C25H30 |
AB2C25D30 |
-6.2 |
2.15 |
-8.17 |
-0.18 |
1 |
|
|
39934 |
8143229 |
1 |
O4N5C21H24 |
A4B5C21D24 |
-78.39 |
5.26 |
0.0 |
0.0 |
0 |
|
|
39935 |
8143230 |
1 |
O4N5C21H23 |
A4B5C21D23 |
-101.8 |
2.21 |
-9.06 |
-0.76 |
1 |
|
|
39936 |
8143231 |
1 |
O3N4C17H21 |
A3B4C17D21 |
-11.18 |
7.77 |
0.0 |
0.0 |
0 |
|
|
39937 |
8143232 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-27.51 |
6.63 |
-9.11 |
-0.54 |
0 |
|
|
39938 |
8143233 |
1 |
SN2C24H26 |
AB2C24D26 |
59.77 |
2.83 |
-8.18 |
-0.22 |
0 |
|
|
39939 |
8143234 |
2 |
ON3C5H6 |
AB3C5D6 |
52.77 |
6.85 |
-9.01 |
-0.73 |
0 |
|
|
39940 |
8143235 |
1 |
OSCl2N2H14C20 |
ABC2D2E14F20 |
44.17 |
0.89 |
-8.73 |
-1.74 |
0 |
|
|
39941 |
8143237 |
1 |
O4N5C18H25 |
A4B5C18D25 |
-135.79 |
8.83 |
-8.91 |
-0.34 |
0 |
|
|
39942 |
8143238 |
1 |
OSCl2N2H12C19 |
ABC2D2E12F19 |
53.66 |
0.56 |
-8.69 |
-1.74 |
1 |
|
|
39943 |
8143239 |
1 |
O3N6C20H27 |
A3B6C20D27 |
-35.75 |
12.13 |
0.0 |
0.0 |
1 |
|
|
39944 |
8143241 |
1 |
O4N5C19H28 |
A4B5C19D28 |
-124.47 |
7.25 |
0.0 |
0.0 |
0 |
|
|
39945 |
8143242 |
1 |
O4N5C19H27 |
A4B5C19D27 |
-147.77 |
8.2 |
-8.91 |
-0.35 |
0 |
|
|
39946 |
8143244 |
1 |
SN3O3H19C20 |
AB3C3D19E20 |
-31.32 |
5.93 |
-9.22 |
-1.35 |
1 |
|
|
39947 |
8143245 |
1 |
FO3N4C22H26 |
AB3C4D22E26 |
-97.77 |
5.66 |
0.0 |
0.0 |
0 |
|
|
39948 |
8143247 |
1 |
SN3H21C25 |
AB3C21D25 |
120.52 |
2.87 |
-8.33 |
-1.09 |
0 |
|
|
39949 |
8143248 |
1 |
ClSN4H11C16 |
ABC4D11E16 |
134.07 |
4.43 |
-8.53 |
-1.08 |
0 |
|
|
39950 |
8143250 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-56.75 |
7.78 |
-8.28 |
-0.89 |
1 |
|
|
39951 |
8143252 |
1 |
O4N5C19H28 |
A4B5C19D28 |
-123.32 |
9.14 |
0.0 |
0.0 |
1 |
|
|
39952 |
8143257 |
1 |
N4O4C23H25 |
A4B4C23D25 |
-50.43 |
5.86 |
0.0 |
0.0 |
0 |