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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
151186 |
53790886 |
1 |
N2C23H26 |
A2B23C26 |
59.66 |
0.68 |
-7.99 |
0.39 |
0 |
|
|
151187 |
53790887 |
1 |
NO5C10H11 |
AB5C10D11 |
-195.61 |
1.23 |
-9.89 |
-1.05 |
1 |
|
|
151188 |
53790888 |
1 |
SN2O2C15H15 |
AB2C2D15E15 |
21.55 |
4.23 |
0.0 |
0.0 |
0 |
|
|
151189 |
53790889 |
1 |
O2F3H3Cl4C8 |
A2B3C3D4E8 |
-251.66 |
1.21 |
-10.04 |
-1.63 |
0 |
|
|
151190 |
53790890 |
1 |
N2Si2F3C9H21 |
A2B2C3D9E21 |
-129.49 |
11.04 |
-5.94 |
-1.0 |
0 |
|
|
151191 |
53790891 |
1 |
S2N6O7C40H70 |
A2B6C7D40E70 |
-303.69 |
10.54 |
-8.53 |
-1.46 |
0 |
|
|
151192 |
53790892 |
1 |
N3O4C16H31 |
A3B4C16D31 |
-192.67 |
4.86 |
-9.57 |
-0.08 |
0 |
|
|
151193 |
53790893 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-128.99 |
6.12 |
-8.5 |
-1.48 |
0 |
|
|
151194 |
53790894 |
1 |
NO3C19H21 |
AB3C19D21 |
-61.24 |
0.75 |
-8.56 |
0.02 |
0 |
|
|
151195 |
53790895 |
1 |
NO3C19H21 |
AB3C19D21 |
-63.89 |
2.46 |
-8.63 |
-0.1 |
0 |
|
|
151196 |
53790896 |
2 |
O2C5H5 |
A2B5C5 |
-117.97 |
4.07 |
-8.5 |
-0.11 |
0 |
|
|
151197 |
53790897 |
1 |
ClO3N5C13H14 |
AB3C5D13E14 |
-64.38 |
2.79 |
-8.97 |
-1.15 |
0 |
|
|
151198 |
53790898 |
1 |
O4N5C19H19 |
A4B5C19D19 |
-72.58 |
3.53 |
-8.75 |
-0.69 |
0 |
|
|
151199 |
53790899 |
1 |
N2O7C27H56 |
A2B7C27D56 |
-397.27 |
0.79 |
-9.06 |
0.52 |
0 |
|
|
151200 |
53790900 |
1 |
OH2N4C5S6 |
AB2C4D5E6 |
127.81 |
1.91 |
-9.03 |
-2.24 |
0 |
|
|
151201 |
53790901 |
1 |
SN2O4C11H28 |
AB2C4D11E28 |
-76.86 |
0.91 |
-8.88 |
0.2 |
0 |
|
|
151202 |
53790902 |
1 |
NSO2C5H13 |
ABC2D5E13 |
-33.4 |
3.09 |
-9.01 |
0.0 |
0 |
|
|
151203 |
53790903 |
1 |
NO2C6H15 |
AB2C6D15 |
-43.95 |
3.16 |
-9.1 |
0.2 |
0 |
|
|
151204 |
53790904 |
1 |
NOF5C32H32 |
ABC5D32E32 |
-247.44 |
3.96 |
-9.81 |
-0.76 |
1 |
|
|
151205 |
53790905 |
1 |
OSN3C14H18 |
ABC3D14E18 |
45.29 |
2.46 |
0.0 |
0.0 |
0 |
|
|
151206 |
53790906 |
1 |
O2N4H10C11 |
A2B4C10D11 |
25.72 |
7.93 |
-9.09 |
-1.38 |
0 |
|
|
151207 |
53790907 |
1 |
ClF2N2O2H9C14 |
AB2C2D2E9F14 |
-90.58 |
2.93 |
-9.62 |
-0.76 |
0 |
|
|
151208 |
53790908 |
1 |
NOCl2H17C23 |
ABC2D17E23 |
46.49 |
2.7 |
-8.99 |
-0.66 |
0 |
|
|
151209 |
53790909 |
2 |
NC15H20 |
AB15C20 |
62.96 |
1.45 |
-8.19 |
0.14 |
0 |
|
|
151210 |
53790910 |
1 |
OF5C13H15 |
AB5C13D15 |
-319.28 |
4.18 |
-9.96 |
-0.48 |
0 |
|
|
151211 |
53790911 |
1 |
SO4N5C34H35 |
AB4C5D34E35 |
-46.33 |
4.74 |
-8.35 |
-0.49 |
0 |
|
|
151212 |
53790912 |
6 |
OC5H8 |
AB5C8 |
-278.07 |
3.86 |
-9.68 |
-0.08 |
0 |
|
|
151213 |
53790913 |
1 |
ClNO3C8H10 |
ABC3D8E10 |
-116.98 |
2.16 |
-9.56 |
-0.29 |
0 |
|
|
151214 |
53790914 |
1 |
O4N9C21H27 |
A4B9C21D27 |
-38.58 |
3.59 |
-8.48 |
-0.26 |
0 |
|
|
151215 |
53790915 |
1 |
PO7C19H29 |
AB7C19D29 |
-381.86 |
4.43 |
-9.78 |
-0.1 |
1 |
|
|
151216 |
53790916 |
1 |
SN5O6C31H44 |
AB5C6D31E44 |
-99.5 |
8.67 |
0.0 |
0.0 |
0 |
|
|
151217 |
53790917 |
1 |
NO6C17H25 |
AB6C17D25 |
-248.61 |
1.34 |
-8.75 |
0.16 |
0 |
|
|
151218 |
53790918 |
1 |
N3O4C19H19 |
A3B4C19D19 |
-124.92 |
10.89 |
-9.63 |
-1.88 |
1 |
|
|
151219 |
53790919 |
1 |
NOC18H22 |
ABC18D22 |
30.65 |
1.09 |
0.0 |
0.0 |
0 |
|
|
151220 |
53790920 |
1 |
FN3O4C12H12 |
AB3C4D12E12 |
-166.57 |
8.01 |
-8.44 |
-0.74 |
0 |
|
|
151221 |
53790921 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-5.15 |
2.57 |
-9.24 |
-0.42 |
0 |
|
|
151222 |
53790922 |
1 |
O3C7H12 |
A3B7C12 |
-13.8 |
1.76 |
-10.31 |
-0.57 |
0 |
|
|
151223 |
53790923 |
1 |
NO2C25H33 |
AB2C25D33 |
-83.87 |
1.19 |
-8.86 |
-0.42 |
0 |
|
|
151224 |
53790924 |
1 |
S3N4O4C22H28 |
A3B4C4D22E28 |
-85.8 |
7.58 |
-9.03 |
-1.06 |
0 |
|
|
151225 |
53790925 |
1 |
O2H16C19 |
A2B16C19 |
-34.47 |
4.35 |
-8.72 |
-0.9 |
0 |
|
|
151226 |
53790926 |
1 |
ON4H16C18 |
AB4C16D18 |
41.47 |
3.96 |
-9.21 |
-1.18 |
0 |
|
|
151227 |
53790927 |
1 |
ClNOSC18H22 |
ABCDE18F22 |
-26.13 |
5.38 |
-8.92 |
-0.09 |
0 |
|
|
151228 |
53790928 |
1 |
OC13H18 |
AB13C18 |
-43.04 |
4.84 |
-9.41 |
-0.43 |
0 |
|
|
151229 |
53790929 |
1 |
BrFON2C22H26 |
ABCD2E22F26 |
-70.37 |
5.56 |
-9.15 |
-0.72 |
0 |
|
|
151230 |
53790930 |
1 |
NSO3C20H35 |
ABC3D20E35 |
-122.1 |
7.64 |
-8.67 |
0.21 |
0 |
|
|
151231 |
53790931 |
1 |
ClN2O5C29H45 |
AB2C5D29E45 |
-258.75 |
2.74 |
-8.87 |
-0.82 |
0 |
|
|
151232 |
53790932 |
4 |
C5H9 |
A5B9 |
-31.05 |
0.56 |
-9.36 |
1.26 |
0 |
|
|
151233 |
53790933 |
1 |
ClON2C8H9 |
ABC2D8E9 |
-26.79 |
4.57 |
-9.22 |
-0.51 |
0 |
|
|
151234 |
53790934 |
10 |
CH2 |
AB2 |
-25.88 |
0.37 |
-10.59 |
2.74 |
0 |
|
|
151235 |
53790935 |
1 |
O3C19H36 |
A3B19C36 |
-185.74 |
1.97 |
-10.24 |
-0.17 |
0 |
|
|
151236 |
53790936 |
1 |
N5H17C20 |
A5B17C20 |
142.84 |
6.2 |
-8.86 |
-0.72 |
0 |
|
|
151237 |
53790937 |
2 |
NC7H14 |
AB7C14 |
-34.73 |
2.41 |
-9.09 |
1.19 |
0 |
|
|
151238 |
53790938 |
1 |
NO4C48H49 |
AB4C48D49 |
-61.53 |
3.72 |
-8.81 |
-0.38 |
0 |
|
|
151239 |
53790939 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-173.55 |
1.69 |
-8.85 |
0.17 |
0 |
|
|
151240 |
53790940 |
1 |
SSiO2N9C17H25 |
ABC2D9E17F25 |
28.3 |
4.7 |
-9.21 |
-0.75 |
0 |
|
|
151241 |
53790941 |
1 |
ON3S3C4H5 |
AB3C3D4E5 |
6.51 |
7.29 |
-8.53 |
-1.24 |
0 |
|
|
151242 |
53790942 |
1 |
NF2O2H9C14 |
AB2C2D9E14 |
-85.16 |
4.07 |
-9.37 |
-0.94 |
0 |
|
|
151243 |
53790943 |
1 |
PO5C10H21 |
AB5C10D21 |
-317.34 |
3.55 |
-10.47 |
-0.07 |
0 |
|
|
151244 |
53790944 |
1 |
NO2C9H13 |
AB2C9D13 |
-42.04 |
6.39 |
-8.57 |
-0.58 |
0 |
|
|
151245 |
53790945 |
1 |
ClNSO4C9H12 |
ABCD4E9F12 |
-84.96 |
6.38 |
-10.85 |
-1.88 |
0 |
|
|
151246 |
53790946 |
1 |
PN3C6O7H12 |
AB3C6D7E12 |
-295.75 |
4.25 |
-10.16 |
-1.15 |
0 |
|
|
151247 |
53790947 |
1 |
NSO2C19H19 |
ABC2D19E19 |
-34.74 |
7.35 |
-8.5 |
-0.86 |
0 |
|
|
151248 |
53790948 |
1 |
FSO3N4H9C10 |
ABC3D4E9F10 |
-91.1 |
5.73 |
-9.82 |
-1.32 |
0 |
|
|
151249 |
53790949 |
1 |
NO2Si2F3C10H20 |
AB2C2D3E10F20 |
-318.48 |
3.99 |
-10.09 |
-0.25 |
0 |
|
|
151250 |
53790950 |
1 |
SO5C8H16 |
AB5C8D16 |
-240.82 |
4.73 |
-9.97 |
-0.03 |
0 |
|
|
151251 |
53790951 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-135.74 |
3.91 |
-9.57 |
0.14 |
0 |
|
|
151252 |
53790952 |
1 |
H2O3F8C15 |
A2B3C8D15 |
-393.93 |
5.31 |
-9.97 |
-2.26 |
0 |
|
|
151253 |
53790953 |
1 |
SF3O4C16H17 |
AB3C4D16E17 |
-285.31 |
2.02 |
-10.03 |
-1.7 |
0 |
|
|
151254 |
53790954 |
1 |
NO4C14H17 |
AB4C14D17 |
-163.9 |
7.05 |
-9.96 |
-0.44 |
0 |
|
|
151255 |
53790955 |
1 |
SiO2C18H19 |
AB2C18D19 |
16.98 |
2.98 |
0.0 |
0.0 |
0 |
|
|
151256 |
53790956 |
1 |
O2Si2N3C13H27 |
A2B2C3D13E27 |
-75.81 |
3.39 |
-8.2 |
0.47 |
0 |
|
|
151257 |
53790957 |
1 |
ClFBr2O2N4H16C19 |
ABC2D2E4F16G19 |
-31.66 |
1.87 |
-8.55 |
-1.45 |
0 |
|
|
151258 |
53790958 |
1 |
SN4O4C27H30 |
AB4C4D27E30 |
-80.99 |
3.68 |
-8.43 |
-0.98 |
0 |
|
|
151259 |
53790959 |
1 |
OC16H18 |
AB16C18 |
-16.01 |
1.56 |
-8.99 |
0.09 |
0 |
|
|
151260 |
53790960 |
1 |
O3N4C25H34 |
A3B4C25D34 |
-27.95 |
2.54 |
-8.24 |
0.19 |
0 |
|
|
151261 |
53790961 |
1 |
SN2O2H8C10 |
AB2C2D8E10 |
-25.54 |
2.46 |
-9.54 |
-1.1 |
0 |
|
|
151262 |
53790962 |
2 |
NC12H14 |
AB12C14 |
90.85 |
2.26 |
-8.89 |
-0.4 |
0 |
|
|
151263 |
53790963 |
1 |
O3C18H32 |
A3B18C32 |
-148.8 |
2.9 |
-9.61 |
0.53 |
0 |
|
|
151264 |
53790964 |
1 |
ClNSO3H10C12 |
ABCD3E10F12 |
-91.47 |
5.53 |
-9.11 |
-1.13 |
0 |
|
|
151265 |
53790965 |
2 |
OC12H16 |
AB12C16 |
-94.97 |
5.41 |
-9.45 |
-0.75 |
0 |
|
|
151266 |
53790966 |
1 |
N3O4H15C16 |
A3B4C15D16 |
-20.08 |
7.76 |
-10.25 |
-1.49 |
0 |
|
|
151267 |
53790967 |
1 |
NO5C21H29 |
AB5C21D29 |
-135.68 |
3.9 |
-10.5 |
-1.65 |
0 |
|
|
151268 |
53790968 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-63.01 |
4.59 |
-9.56 |
-0.09 |
0 |
|
|
151269 |
53790969 |
1 |
ClO4C12H15 |
AB4C12D15 |
-165.31 |
1.43 |
-9.64 |
-0.38 |
0 |
|
|
151270 |
53790970 |
1 |
FO5C22H31 |
AB5C22D31 |
-273.19 |
4.53 |
-8.95 |
0.24 |
0 |
|
|
151271 |
53790971 |
1 |
NO2C17H25 |
AB2C17D25 |
-92.38 |
6.26 |
-8.03 |
0.41 |
0 |
|
|
151272 |
53790972 |
2 |
O4C14H17 |
A4B14C17 |
-329.42 |
3.93 |
-9.33 |
0.02 |
0 |
|
|
151273 |
53790973 |
1 |
NCl2O5C19H21 |
AB2C5D19E21 |
-166.67 |
4.87 |
-9.54 |
-0.78 |
0 |
|
|
151274 |
53790974 |
1 |
OCl2N2C9H10 |
AB2C2D9E10 |
-22.11 |
3.87 |
-9.89 |
-0.74 |
0 |
|
|
151275 |
53790975 |
1 |
N3O5H23C27 |
A3B5C23D27 |
-29.57 |
5.38 |
-9.33 |
-1.34 |
0 |
|
|
151276 |
53790976 |
2 |
FN2O2C14H16 |
AB2C2D14E16 |
-229.75 |
2.86 |
-9.97 |
-1.54 |
0 |
|
|
151277 |
53790977 |
1 |
NF3O6C20H22 |
AB3C6D20E22 |
-364.63 |
6.03 |
-8.15 |
-0.68 |
0 |
|
|
151278 |
53790978 |
1 |
NCl2C16H23 |
AB2C16D23 |
-21.19 |
2.21 |
-8.97 |
0.3 |
0 |
|
|
151279 |
53790979 |
1 |
ClNO2C14H18 |
ABC2D14E18 |
-64.96 |
2.43 |
-8.96 |
-0.26 |
0 |
|
|
151280 |
53790980 |
1 |
N2O3C27H48 |
A2B3C27D48 |
-189.97 |
4.04 |
-8.28 |
0.86 |
0 |
|
|
151281 |
53790981 |
1 |
F2O4N5C29H31 |
A2B4C5D29E31 |
-169.13 |
7.77 |
-9.34 |
-1.23 |
0 |
|
|
151282 |
53790982 |
1 |
ClO2N4C19H23 |
AB2C4D19E23 |
-7.66 |
1.09 |
-8.9 |
-1.48 |
0 |
|
|
151283 |
53790983 |
1 |
C29H56 |
A29B56 |
-93.14 |
0.68 |
-9.38 |
1.35 |
0 |
|
|
151284 |
53790984 |
1 |
PBr6O6C16H25 |
AB6C6D16E25 |
-326.63 |
3.22 |
-9.97 |
-1.59 |
0 |
|
|
151285 |
53790985 |
1 |
ClNO8C24H28 |
ABC8D24E28 |
-304.32 |
8.07 |
-8.81 |
-0.43 |
0 |