List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
286200 |
104160171 |
1 |
ON3C12H17 |
AB3C12D17 |
-24.5 |
6.44 |
-9.27 |
-0.33 |
0 |
|
|
286201 |
104160173 |
1 |
N2C11H16 |
A2B11C16 |
33.41 |
1.22 |
-8.96 |
0.13 |
0 |
|
|
286202 |
104160939 |
1 |
N3O3C13H25 |
A3B3C13D25 |
-145.86 |
3.74 |
-8.94 |
0.61 |
0 |
|
|
286203 |
104161043 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-97.71 |
4.93 |
-8.83 |
-0.61 |
0 |
|
|
286204 |
104161072 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-101.07 |
4.72 |
-8.65 |
-0.21 |
0 |
|
|
286205 |
104161215 |
1 |
F2N2O3C14H16 |
A2B2C3D14E16 |
-185.71 |
3.28 |
-9.71 |
-1.13 |
0 |
|
|
286206 |
104161216 |
1 |
Cl2N2O3C14H16 |
A2B2C3D14E16 |
-110.26 |
3.61 |
-9.27 |
-0.94 |
0 |
|
|
286207 |
104161219 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-96.35 |
6.56 |
-9.25 |
-0.62 |
0 |
|
|
286208 |
104161246 |
1 |
NO3C12H23 |
AB3C12D23 |
-154.93 |
3.76 |
-9.4 |
1.07 |
0 |
|
|
286209 |
104161248 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-158.51 |
6.64 |
-8.87 |
1.14 |
0 |
|
|
286210 |
104161396 |
1 |
N2O2C15H30 |
A2B2C15D30 |
-121.35 |
3.3 |
-8.95 |
1.23 |
0 |
|
|
286211 |
104161488 |
1 |
ClNO3C16H20 |
ABC3D16E20 |
-104.86 |
4.77 |
-8.85 |
-0.65 |
0 |
|
|
286212 |
104162129 |
1 |
NSO4C13H13 |
ABC4D13E13 |
-152.18 |
2.19 |
-9.54 |
-1.24 |
0 |
|
|
286213 |
104162175 |
1 |
ClNSO2C14H16 |
ABCD2E14F16 |
-87.99 |
3.85 |
-9.55 |
-1.24 |
0 |
|
|
286214 |
104162344 |
1 |
NSO3C9H15 |
ABC3D9E15 |
-158.36 |
3.11 |
-9.57 |
-0.43 |
0 |
|
|
286215 |
104162390 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-59.17 |
4.98 |
-8.83 |
-1.27 |
0 |
|
|
286216 |
104162421 |
1 |
O2S2N4C7H8 |
A2B2C4D7E8 |
-28.87 |
3.97 |
-9.51 |
-1.07 |
0 |
|
|
286217 |
104162496 |
1 |
SN3O3C12H13 |
AB3C3D12E13 |
-85.51 |
3.66 |
-9.95 |
-0.94 |
0 |
|
|
286218 |
104162519 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-97.64 |
2.68 |
-9.52 |
-1.22 |
0 |
|
|
286219 |
104162698 |
1 |
NO3C15H19 |
AB3C15D19 |
-127.51 |
9.74 |
-9.07 |
-0.73 |
0 |
|
|
286220 |
104162699 |
1 |
NO5C14H17 |
AB5C14D17 |
-176.2 |
9.06 |
-9.16 |
-0.78 |
0 |
|
|
286221 |
104162700 |
1 |
NSO3H15C16 |
ABC3D15E16 |
-89.88 |
10.11 |
-9.01 |
-0.72 |
0 |
|
|
286222 |
104162747 |
1 |
NSO3H13C15 |
ABC3D13E15 |
-75.55 |
9.02 |
-9.15 |
-0.73 |
0 |
|
|
286223 |
104162846 |
1 |
SN3O4C13H13 |
AB3C4D13E13 |
-107.6 |
6.56 |
-8.97 |
-0.59 |
0 |
|
|
286224 |
104162870 |
1 |
SN2O4C13H16 |
AB2C4D13E16 |
-139.42 |
5.25 |
-9.07 |
-0.66 |
0 |
|
|
286225 |
104162871 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-147.35 |
7.45 |
-9.1 |
-0.67 |
0 |
|
|
286226 |
104162872 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-188.71 |
8.13 |
-9.08 |
-0.61 |
0 |
|
|
286227 |
104162881 |
1 |
N3C17H17 |
A3B17C17 |
66.61 |
4.01 |
-8.48 |
-0.2 |
0 |
|
|
286228 |
104162885 |
1 |
N3H15C16 |
A3B15C16 |
64.4 |
3.61 |
-8.34 |
-0.48 |
0 |
|
|
286229 |
104162912 |
1 |
ON3H15C16 |
AB3C15D16 |
32.73 |
2.05 |
-8.28 |
-0.41 |
0 |
|
|
286230 |
104163080 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-114.69 |
7.58 |
-9.15 |
-0.77 |
0 |
|
|
286231 |
104163128 |
1 |
ON4H12C15 |
AB4C12D15 |
88.85 |
6.45 |
-8.8 |
-1.1 |
0 |
|
|
286232 |
104163316 |
1 |
N3O3H13C15 |
A3B3C13D15 |
-61.99 |
11.05 |
-9.19 |
-0.88 |
0 |
|
|
286233 |
104163345 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-113.66 |
9.91 |
-9.03 |
-0.64 |
0 |
|
|
286234 |
104163346 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-118.08 |
9.63 |
-9.0 |
-0.62 |
0 |
|
|
286235 |
104163966 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-127.63 |
7.45 |
-9.04 |
-0.69 |
0 |
|
|
286236 |
104163967 |
1 |
SN2O2H12C13 |
AB2C2D12E13 |
-19.83 |
8.59 |
-8.75 |
-1.01 |
0 |
|
|
286237 |
104164174 |
2 |
NOC7H10 |
ABC7D10 |
-72.82 |
4.12 |
-8.56 |
-0.04 |
0 |
|
|
286238 |
104164176 |
1 |
ON2C17H18 |
AB2C17D18 |
-10.01 |
4.24 |
-8.51 |
-0.15 |
0 |
|
|
286239 |
104164188 |
1 |
ON2C17H18 |
AB2C17D18 |
-1.5 |
3.94 |
-8.59 |
-0.12 |
0 |
|
|
286240 |
104164222 |
2 |
NC8H9 |
AB8C9 |
48.64 |
3.15 |
-8.17 |
0.27 |
0 |
|
|
286241 |
104169945 |
1 |
ON2C15H22 |
AB2C15D22 |
-19.98 |
3.52 |
-8.38 |
0.08 |
0 |
|
|
286242 |
104169946 |
1 |
ON2C16H24 |
AB2C16D24 |
-22.43 |
4.01 |
-8.36 |
0.05 |
0 |
|
|
286243 |
104169947 |
1 |
ON2C16H24 |
AB2C16D24 |
-25.98 |
1.9 |
-8.23 |
0.24 |
0 |
|
|
286244 |
104169948 |
1 |
ON2C16H22 |
AB2C16D22 |
5.67 |
1.35 |
-8.32 |
0.11 |
0 |
|
|
286245 |
104169949 |
1 |
ON2C17H26 |
AB2C17D26 |
-33.13 |
3.02 |
-8.3 |
0.13 |
0 |
|
|
286246 |
104169950 |
1 |
ON2C17H26 |
AB2C17D26 |
-27.74 |
3.95 |
-8.33 |
0.09 |
0 |
|
|
286247 |
104169951 |
2 |
NOC8H12 |
ABC8D12 |
-53.77 |
1.66 |
-8.29 |
0.14 |
0 |
|
|
286248 |
104169952 |
1 |
ON3C9H17 |
AB3C9D17 |
-11.69 |
2.47 |
-9.32 |
0.73 |
0 |
|
|
286249 |
104169953 |
1 |
ON3C10H19 |
AB3C10D19 |
-16.63 |
3.12 |
-9.29 |
0.82 |
0 |
|
|
286250 |
104169954 |
1 |
ON3C11H21 |
AB3C11D21 |
-23.61 |
0.42 |
-9.23 |
0.56 |
0 |
|
|
286251 |
104169955 |
1 |
ON3C11H21 |
AB3C11D21 |
-25.68 |
3.69 |
-9.27 |
0.85 |
0 |
|
|
286252 |
104169956 |
1 |
ON3C11H19 |
AB3C11D19 |
5.81 |
1.85 |
-9.31 |
0.67 |
0 |
|
|
286253 |
104169957 |
1 |
ON3C12H23 |
AB3C12D23 |
-35.48 |
3.03 |
-8.9 |
0.8 |
0 |
|
|
286254 |
104169958 |
1 |
ON3C12H23 |
AB3C12D23 |
-28.04 |
4.43 |
-9.29 |
0.79 |
0 |
|
|
286255 |
104169959 |
1 |
O2N3C11H21 |
A2B3C11D21 |
-54.64 |
2.92 |
-9.01 |
0.82 |
0 |
|
|
286256 |
104169960 |
1 |
ON3C9H17 |
AB3C9D17 |
-12.41 |
2.67 |
-8.95 |
0.57 |
0 |
|
|
286257 |
104169961 |
1 |
ON3C10H19 |
AB3C10D19 |
-14.78 |
1.4 |
-8.74 |
0.68 |
0 |
|
|
286258 |
104169962 |
1 |
ON3C11H21 |
AB3C11D21 |
-19.71 |
1.02 |
-8.79 |
0.69 |
0 |
|
|
286259 |
104169963 |
1 |
ON3C11H21 |
AB3C11D21 |
-21.24 |
1.62 |
-8.68 |
0.66 |
0 |
|
|
286260 |
104169964 |
1 |
ON3C11H19 |
AB3C11D19 |
7.01 |
2.6 |
-9.0 |
0.57 |
0 |
|
|
286261 |
104169965 |
1 |
ON3C12H23 |
AB3C12D23 |
-31.63 |
1.42 |
-8.79 |
0.76 |
0 |
|
|
286262 |
104169966 |
1 |
ON3C12H23 |
AB3C12D23 |
-25.7 |
1.31 |
-8.73 |
0.69 |
0 |
|
|
286263 |
104169967 |
1 |
O2N3C11H21 |
A2B3C11D21 |
-54.45 |
1.36 |
-8.95 |
0.66 |
0 |
|
|
286264 |
104169968 |
1 |
ON3C9H17 |
AB3C9D17 |
-28.97 |
3.06 |
-8.91 |
0.76 |
0 |
|
|
286265 |
104169969 |
1 |
ON3C10H19 |
AB3C10D19 |
-29.11 |
3.38 |
-8.82 |
0.8 |
0 |
|
|
286266 |
104169970 |
1 |
ON3C11H21 |
AB3C11D21 |
-36.77 |
3.48 |
-8.88 |
0.78 |
0 |
|
|
286267 |
104169971 |
1 |
ON3C12H23 |
AB3C12D23 |
-40.82 |
3.86 |
-8.8 |
0.89 |
0 |
|
|
286268 |
104169972 |
1 |
ON3C12H23 |
AB3C12D23 |
-41.67 |
3.78 |
-8.8 |
0.84 |
0 |
|
|
286269 |
104169973 |
1 |
ON3C12H21 |
AB3C12D21 |
-9.36 |
3.39 |
-8.86 |
0.78 |
0 |
|
|
286270 |
104169974 |
1 |
ON3C13H25 |
AB3C13D25 |
-50.17 |
5.58 |
-8.79 |
0.75 |
0 |
|
|
286271 |
104169975 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-73.57 |
6.27 |
-8.68 |
0.95 |
0 |
|
|
286272 |
104169976 |
1 |
ON2C13H18 |
AB2C13D18 |
-7.73 |
4.33 |
-8.22 |
0.21 |
0 |
|
|
286273 |
104169977 |
1 |
ON2C14H20 |
AB2C14D20 |
-10.71 |
1.42 |
-8.21 |
0.1 |
0 |
|
|
286274 |
104169978 |
1 |
ON2C16H24 |
AB2C16D24 |
-24.0 |
1.72 |
-8.25 |
0.06 |
0 |
|
|
286275 |
104169979 |
1 |
ON2C16H24 |
AB2C16D24 |
-25.67 |
2.85 |
-8.16 |
0.14 |
0 |
|
|
286276 |
104169980 |
1 |
ON2C16H22 |
AB2C16D22 |
7.34 |
1.66 |
-8.21 |
0.08 |
0 |
|
|
286277 |
104169981 |
1 |
ON2C17H26 |
AB2C17D26 |
-31.13 |
3.71 |
-8.22 |
0.17 |
0 |
|
|
286278 |
104169982 |
1 |
ON2C17H26 |
AB2C17D26 |
-29.89 |
1.68 |
-8.24 |
0.06 |
0 |
|
|
286279 |
104169983 |
2 |
NOC8H12 |
ABC8D12 |
-52.81 |
3.28 |
-8.17 |
0.23 |
0 |
|
|
286280 |
104169984 |
1 |
ON4C8H16 |
AB4C8D16 |
-2.92 |
6.29 |
-9.01 |
0.43 |
0 |
|
|
286281 |
104169985 |
1 |
ON4C9H18 |
AB4C9D18 |
-5.34 |
4.45 |
-8.86 |
0.21 |
0 |
|
|
286282 |
104169986 |
1 |
ON4C10H20 |
AB4C10D20 |
-10.35 |
4.37 |
-8.89 |
0.24 |
0 |
|
|
286283 |
104169987 |
1 |
ON4C10H20 |
AB4C10D20 |
-12.05 |
4.46 |
-8.77 |
0.22 |
0 |
|
|
286284 |
104169988 |
1 |
ON4C10H18 |
AB4C10D18 |
15.11 |
6.38 |
-8.88 |
0.43 |
0 |
|
|
286285 |
104169989 |
1 |
ON4C11H22 |
AB4C11D22 |
-21.38 |
5.21 |
-8.67 |
0.54 |
0 |
|
|
286286 |
104169990 |
1 |
ON4C11H22 |
AB4C11D22 |
-16.45 |
4.41 |
-8.85 |
0.22 |
0 |
|
|
286287 |
104169991 |
2 |
ON2C5H10 |
AB2C5D10 |
-45.05 |
5.25 |
-8.97 |
0.5 |
0 |
|
|
286288 |
104169992 |
1 |
FSO3C10H13 |
ABC3D10E13 |
-158.59 |
5.76 |
-10.15 |
-0.69 |
0 |
|
|
286289 |
104169994 |
1 |
FSO3C10H13 |
ABC3D10E13 |
-157.26 |
4.45 |
-10.12 |
-0.85 |
0 |
|
|
286290 |
104169995 |
1 |
FSO2C10H13 |
ABC2D10E13 |
-100.91 |
5.12 |
-8.51 |
-0.36 |
0 |
|
|
286291 |
104169996 |
1 |
FSO3C10H13 |
ABC3D10E13 |
-155.03 |
5.12 |
-10.13 |
-0.95 |
0 |
|
|
286292 |
104169997 |
1 |
FSO2C10H13 |
ABC2D10E13 |
-100.36 |
4.32 |
-8.57 |
-0.47 |
0 |
|
|
286293 |
104169998 |
2 |
OC6H9 |
AB6C9 |
-78.29 |
1.75 |
-8.67 |
0.37 |
0 |
|
|
286294 |
104169999 |
1 |
O2C13H20 |
A2B13C20 |
-84.29 |
1.64 |
-8.66 |
0.4 |
0 |
|
|
286295 |
104170000 |
2 |
OC7H11 |
AB7C11 |
-89.16 |
1.21 |
-8.68 |
0.39 |
0 |
|
|
286296 |
104170001 |
1 |
NO2C9H13 |
AB2C9D13 |
-55.49 |
2.21 |
-9.26 |
-0.22 |
0 |
|
|
286297 |
104170002 |
1 |
ON2C10H20 |
AB2C10D20 |
-54.82 |
3.32 |
-8.73 |
2.55 |
0 |
|
|
286298 |
104170003 |
1 |
ON2C15H30 |
AB2C15D30 |
-65.3 |
3.7 |
-8.49 |
2.23 |
0 |
|
|
286299 |
104170004 |
1 |
ON2C10H22 |
AB2C10D22 |
-58.28 |
1.92 |
-8.68 |
2.08 |
0 |