List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
289975 |
104393462 |
1 |
O2N3C11H21 |
A2B3C11D21 |
-117.45 |
3.93 |
-9.22 |
0.76 |
0 |
|
|
289976 |
104393477 |
1 |
O2N3C10H21 |
A2B3C10D21 |
-122.65 |
1.75 |
-9.39 |
0.92 |
0 |
|
|
289977 |
104393532 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-95.68 |
4.61 |
-9.43 |
0.66 |
0 |
|
|
289978 |
104393849 |
1 |
O2N3C15H29 |
A2B3C15D29 |
-134.95 |
1.57 |
-9.3 |
0.87 |
0 |
|
|
289979 |
104393851 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-167.63 |
1.76 |
-9.7 |
1.0 |
0 |
|
|
289980 |
104393909 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-121.71 |
4.04 |
-8.81 |
0.79 |
0 |
|
|
289981 |
104393979 |
1 |
N3O3C13H25 |
A3B3C13D25 |
-156.93 |
3.12 |
-9.34 |
0.85 |
0 |
|
|
289982 |
104394377 |
1 |
FNOC11H16 |
ABCD11E16 |
-86.63 |
2.21 |
-9.36 |
-0.07 |
0 |
|
|
289983 |
104394418 |
1 |
N3C11H19 |
A3B11C19 |
14.74 |
2.45 |
-9.18 |
-0.08 |
0 |
|
|
289984 |
104394431 |
2 |
NC5H10 |
AB5C10 |
-0.78 |
0.34 |
-9.01 |
2.64 |
0 |
|
|
289985 |
104394680 |
1 |
N3C10H17 |
A3B10C17 |
18.39 |
2.27 |
-9.04 |
-0.01 |
0 |
|
|
289986 |
104394942 |
2 |
ClNC6H9 |
ABC6D9 |
-4.38 |
1.22 |
-8.75 |
-0.44 |
0 |
|
|
289987 |
104395155 |
1 |
Cl2N2C11H16 |
A2B2C11D16 |
-1.24 |
1.44 |
-8.77 |
-0.55 |
0 |
|
|
289988 |
104395254 |
1 |
SN2C11H24 |
AB2C11D24 |
-30.67 |
4.63 |
-8.53 |
0.87 |
0 |
|
|
289989 |
104395899 |
2 |
NC7H15 |
AB7C15 |
-32.02 |
2.76 |
-8.68 |
2.68 |
0 |
|
|
289990 |
104396089 |
1 |
ON2C11H26 |
AB2C11D26 |
-79.92 |
1.46 |
-8.7 |
2.29 |
0 |
|
|
289991 |
104396102 |
1 |
N4C13H26 |
A4B13C26 |
4.13 |
4.43 |
-8.45 |
1.13 |
0 |
|
|
289992 |
104396152 |
1 |
N3C13H23 |
A3B13C23 |
4.85 |
3.56 |
-8.91 |
0.13 |
0 |
|
|
289993 |
104396183 |
1 |
SN2C14H24 |
AB2C14D24 |
4.58 |
0.99 |
-8.66 |
0.11 |
0 |
|
|
289994 |
104396274 |
1 |
ON2C16H26 |
AB2C16D26 |
-43.98 |
2.49 |
-8.47 |
0.42 |
0 |
|
|
289995 |
104396635 |
1 |
SN2C11H18 |
AB2C11D18 |
39.24 |
2.47 |
-8.87 |
-0.15 |
0 |
|
|
289996 |
104396698 |
1 |
BrN2C14H21 |
AB2C14D21 |
26.05 |
3.98 |
-9.0 |
0.09 |
0 |
|
|
289997 |
104396759 |
1 |
ON2C16H26 |
AB2C16D26 |
-45.71 |
3.37 |
-8.72 |
0.19 |
0 |
|
|
289998 |
104396857 |
1 |
ON2C16H28 |
AB2C16D28 |
-54.38 |
2.97 |
-8.63 |
0.3 |
0 |
|
|
289999 |
104396992 |
1 |
N2C13H30 |
A2B13C30 |
-56.29 |
2.12 |
-8.61 |
2.93 |
0 |
|
|
290000 |
104396995 |
2 |
NC8H18 |
AB8C18 |
-72.51 |
1.99 |
-8.58 |
2.96 |
0 |
|
|
290001 |
104397025 |
1 |
N2F4C15H22 |
A2B4C15D22 |
-209.68 |
5.65 |
-8.91 |
-0.65 |
0 |
|
|
290002 |
104397116 |
4 |
NC3H6 |
AB3C6 |
15.63 |
3.97 |
-9.06 |
0.84 |
0 |
|
|
290003 |
104397137 |
1 |
ON2C13H28 |
AB2C13D28 |
-81.51 |
2.5 |
-8.48 |
2.41 |
0 |
|
|
290004 |
104397217 |
2 |
NC9H18 |
AB9C18 |
-61.06 |
0.81 |
-8.83 |
2.71 |
0 |
|
|
290005 |
104397219 |
1 |
ON2C13H28 |
AB2C13D28 |
-80.11 |
4.17 |
-8.98 |
2.54 |
0 |
|
|
290006 |
104397223 |
2 |
NC6H14 |
AB6C14 |
-46.55 |
2.35 |
-8.63 |
2.9 |
0 |
|
|
290007 |
104397305 |
2 |
FNC7H11 |
ABC7D11 |
-97.72 |
3.65 |
-9.1 |
-0.32 |
0 |
|
|
290008 |
104397340 |
1 |
BrClN2C14H22 |
ABC2D14E22 |
-8.11 |
1.99 |
-8.98 |
-0.5 |
0 |
|
|
290009 |
104397399 |
1 |
SN4C10H20 |
AB4C10D20 |
35.5 |
5.66 |
-9.18 |
-0.93 |
0 |
|
|
290010 |
104397403 |
1 |
FN2C15H25 |
AB2C15D25 |
-57.29 |
1.45 |
-8.78 |
0.28 |
0 |
|
|
290011 |
104397405 |
1 |
BrSN2C13H23 |
ABC2D13E23 |
3.03 |
3.63 |
-8.9 |
-0.14 |
0 |
|
|
290012 |
104397445 |
1 |
FON2C15H25 |
ABC2D15E25 |
-83.08 |
2.36 |
-8.77 |
0.08 |
0 |
|
|
290013 |
104397457 |
2 |
NOC8H14 |
ABC8D14 |
-72.93 |
1.37 |
-8.16 |
0.39 |
0 |
|
|
290014 |
104397652 |
1 |
OCl2N2C13H20 |
AB2C2D13E20 |
-48.43 |
2.14 |
-9.01 |
-0.48 |
0 |
|
|
290015 |
104397655 |
1 |
ON2C16H26 |
AB2C16D26 |
-40.15 |
0.54 |
-8.73 |
0.6 |
0 |
|
|
290016 |
104397667 |
1 |
ON2C14H28 |
AB2C14D28 |
-51.04 |
1.68 |
-8.72 |
2.4 |
0 |
|
|
290017 |
104397671 |
1 |
OSN2C15H26 |
ABC2D15E26 |
-36.86 |
1.93 |
-8.8 |
0.13 |
0 |
|
|
290018 |
104397682 |
1 |
ClOSN2C11H19 |
ABCD2E11F19 |
-26.49 |
0.92 |
-8.95 |
-0.51 |
0 |
|
|
290019 |
104397724 |
1 |
ON4C10H20 |
AB4C10D20 |
-20.15 |
3.74 |
-9.16 |
0.6 |
0 |
|
|
290020 |
104397745 |
1 |
ON4C14H22 |
AB4C14D22 |
12.23 |
4.03 |
-8.57 |
-0.28 |
0 |
|
|
290021 |
104397786 |
1 |
OF2N2C14H22 |
AB2C2D14E22 |
-123.85 |
2.69 |
-8.87 |
-0.32 |
0 |
|
|
290022 |
104397817 |
1 |
ClON2C14H23 |
ABC2D14E23 |
-44.0 |
1.56 |
-8.97 |
0.01 |
0 |
|
|
290023 |
104397939 |
1 |
OSN3C14H19 |
ABC3D14E19 |
-11.35 |
4.06 |
-8.75 |
-0.78 |
0 |
|
|
290024 |
104397940 |
1 |
ON4C15H20 |
AB4C15D20 |
-13.82 |
2.46 |
-8.94 |
-0.72 |
0 |
|
|
290025 |
104397966 |
1 |
ON4C13H16 |
AB4C13D16 |
20.06 |
4.26 |
-9.44 |
-0.92 |
0 |
|
|
290026 |
104398036 |
1 |
BrON3C14H18 |
ABC3D14E18 |
-13.96 |
5.89 |
-9.06 |
-0.73 |
0 |
|
|
290027 |
104398545 |
1 |
SN3O3C14H29 |
AB3C3D14E29 |
-170.69 |
4.66 |
-9.14 |
0.14 |
0 |
|
|
290028 |
104398661 |
2 |
NO2C7H9 |
AB2C7D9 |
-137.36 |
1.51 |
-8.81 |
-0.9 |
0 |
|
|
290029 |
104399137 |
2 |
ON2C7H11 |
AB2C7D11 |
-74.87 |
3.14 |
-9.04 |
-0.35 |
0 |
|
|
290030 |
104399494 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-62.62 |
4.25 |
-9.49 |
-1.4 |
0 |
|
|
290031 |
104399717 |
1 |
N4O4C13H20 |
A4B4C13D20 |
-92.74 |
5.09 |
-9.65 |
-1.25 |
0 |
|
|
290032 |
104399785 |
1 |
BrN3O3C13H18 |
AB3C3D13E18 |
-50.6 |
9.78 |
-9.03 |
-1.17 |
0 |
|
|
290033 |
104399839 |
2 |
ON2C6H10 |
AB2C6D10 |
-76.91 |
5.3 |
-8.52 |
-0.54 |
0 |
|
|
290034 |
104399962 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-115.91 |
3.65 |
-9.25 |
-0.09 |
0 |
|
|
290035 |
104400070 |
1 |
O2F3N3C12H16 |
A2B3C3D12E16 |
-228.49 |
1.77 |
-9.34 |
-0.74 |
0 |
|
|
290036 |
104400740 |
1 |
SO2N3C10H19 |
AB2C3D10E19 |
-83.28 |
3.97 |
-9.12 |
-0.3 |
0 |
|
|
290037 |
104400949 |
1 |
ClON4C15H21 |
ABC4D15E21 |
-34.44 |
5.2 |
-9.28 |
-0.86 |
0 |
|
|
290038 |
104401505 |
1 |
N3O4C14H25 |
A3B4C14D25 |
-209.99 |
5.97 |
-10.0 |
0.44 |
0 |
|
|
290039 |
104401576 |
1 |
N3O4C13H23 |
A3B4C13D23 |
-207.72 |
5.61 |
-9.74 |
-0.1 |
0 |
|
|
290040 |
104401657 |
1 |
SN3O5C11H19 |
AB3C5D11E19 |
-218.56 |
6.21 |
-9.33 |
-0.37 |
0 |
|
|
290041 |
104401931 |
1 |
BrON3C11H14 |
ABC3D11E14 |
-10.25 |
2.55 |
-9.1 |
-0.52 |
0 |
|
|
290042 |
104402005 |
1 |
ClO2N5C13H22 |
AB2C5D13E22 |
-79.87 |
2.84 |
-9.72 |
-0.66 |
0 |
|
|
290043 |
104402140 |
1 |
O2N5C11H17 |
A2B5C11D17 |
-35.1 |
6.67 |
-9.38 |
-0.14 |
0 |
|
|
290044 |
104402383 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-97.3 |
6.54 |
-9.05 |
-0.52 |
0 |
|
|
290045 |
104402456 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-30.55 |
3.06 |
-9.44 |
-0.87 |
0 |
|
|
290046 |
104402590 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-83.71 |
3.27 |
-9.24 |
-0.95 |
0 |
|
|
290047 |
104402848 |
2 |
ON2C7H11 |
AB2C7D11 |
-87.1 |
2.76 |
-8.67 |
-0.16 |
0 |
|
|
290048 |
104403093 |
1 |
O3N4C12H18 |
A3B4C12D18 |
-104.81 |
6.58 |
-9.43 |
-0.76 |
0 |
|
|
290049 |
104403334 |
1 |
N3O3C14H27 |
A3B3C14D27 |
-165.99 |
5.53 |
-9.53 |
0.93 |
0 |