List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
254700 |
103127042 |
3 |
NC6H7 |
AB6C7 |
68.71 |
3.83 |
-8.58 |
-0.57 |
0 |
|
|
254701 |
103127048 |
1 |
F3N4H11C14 |
A3B4C11D14 |
-54.6 |
4.06 |
-9.43 |
-1.18 |
0 |
|
|
254702 |
103127051 |
2 |
FN2H6C7 |
AB2C6D7 |
13.42 |
2.99 |
-9.29 |
-1.02 |
0 |
|
|
254703 |
103127056 |
1 |
F2N4H14C15 |
A2B4C14D15 |
7.17 |
3.15 |
-9.27 |
-1.01 |
0 |
|
|
254704 |
103127077 |
2 |
N2C7H7 |
A2B7C7 |
91.84 |
5.17 |
-8.98 |
-0.84 |
0 |
|
|
254705 |
103127080 |
1 |
N4C15H16 |
A4B15C16 |
83.1 |
5.42 |
-8.75 |
-0.36 |
0 |
|
|
254706 |
103127085 |
1 |
F3N3H10C14 |
A3B3C10D14 |
-42.9 |
1.46 |
-8.93 |
-0.75 |
0 |
|
|
254707 |
103127097 |
1 |
ON3C16H19 |
AB3C16D19 |
44.95 |
1.97 |
-8.52 |
-0.1 |
0 |
|
|
254708 |
103127101 |
1 |
ON4H10C11 |
AB4C10D11 |
73.33 |
1.51 |
-9.32 |
-1.12 |
0 |
|
|
254709 |
103127102 |
1 |
ON3H11C12 |
AB3C11D12 |
60.19 |
3.01 |
-8.87 |
-0.64 |
0 |
|
|
254710 |
103127104 |
1 |
ON3C13H13 |
AB3C13D13 |
52.91 |
2.84 |
-8.66 |
-0.25 |
0 |
|
|
254711 |
103127107 |
1 |
ON4C15H22 |
AB4C15D22 |
17.32 |
3.51 |
-9.11 |
-0.9 |
0 |
|
|
254712 |
103127109 |
1 |
ON3C15H21 |
AB3C15D21 |
7.62 |
3.49 |
-8.59 |
-0.21 |
0 |
|
|
254713 |
103127112 |
1 |
ON3C13H17 |
AB3C13D17 |
10.46 |
4.58 |
-8.93 |
-0.8 |
0 |
|
|
254714 |
103127113 |
1 |
ON4C14H20 |
AB4C14D20 |
22.25 |
3.46 |
-9.1 |
-0.9 |
0 |
|
|
254715 |
103127116 |
1 |
N4H14C17 |
A4B14C17 |
118.24 |
3.5 |
-8.94 |
-0.75 |
0 |
|
|
254716 |
103127117 |
1 |
ON3C16H23 |
AB3C16D23 |
2.27 |
3.42 |
-8.61 |
-0.2 |
0 |
|
|
254717 |
103127129 |
1 |
SN4C14H16 |
AB4C14D16 |
99.86 |
1.93 |
-8.85 |
-0.92 |
0 |
|
|
254718 |
103127132 |
1 |
SN3C17H21 |
AB3C17D21 |
73.34 |
3.6 |
-8.6 |
-0.2 |
0 |
|
|
254719 |
103127140 |
1 |
N5C16H21 |
A5B16C21 |
90.07 |
4.35 |
-8.78 |
-0.52 |
0 |
|
|
254720 |
103127144 |
1 |
N5C15H19 |
A5B15C19 |
89.87 |
4.91 |
-8.76 |
-0.36 |
0 |
|
|
254721 |
103127148 |
1 |
N5C15H19 |
A5B15C19 |
95.96 |
2.4 |
-8.64 |
-0.26 |
0 |
|
|
254722 |
103127156 |
1 |
N5C16H21 |
A5B16C21 |
92.25 |
4.84 |
-8.64 |
-0.23 |
0 |
|
|
254723 |
103127157 |
1 |
N5C13H15 |
A5B13C15 |
109.01 |
6.46 |
-8.94 |
-0.88 |
0 |
|
|
254724 |
103127185 |
2 |
FN2H6C7 |
AB2C6D7 |
12.31 |
2.89 |
-8.93 |
-0.65 |
0 |
|
|
254725 |
103127202 |
1 |
N5C13H15 |
A5B13C15 |
92.04 |
6.53 |
-8.72 |
-0.31 |
0 |
|
|
254726 |
103127205 |
1 |
N6C13H16 |
A6B13C16 |
104.26 |
4.74 |
-9.09 |
-0.8 |
0 |
|
|
254727 |
103127209 |
2 |
N3C6H7 |
A3B6C7 |
104.63 |
3.72 |
-9.13 |
-0.82 |
0 |
|
|
254728 |
103127220 |
1 |
N6C13H14 |
A6B13C14 |
121.59 |
2.07 |
-9.19 |
-0.9 |
0 |
|
|
254729 |
103127222 |
1 |
N5C13H13 |
A5B13C13 |
107.74 |
2.6 |
-8.72 |
-0.67 |
0 |
|
|
254730 |
103127224 |
1 |
SN3C15H17 |
AB3C15D17 |
85.56 |
3.84 |
-8.82 |
-0.67 |
0 |
|
|
254731 |
103127239 |
1 |
BrON3C14H14 |
ABC3D14E14 |
56.31 |
4.21 |
-8.7 |
-0.32 |
0 |
|
|
254732 |
103127252 |
1 |
F2N3H13C15 |
A2B3C13D15 |
-6.11 |
4.41 |
-8.69 |
-0.44 |
0 |
|
|
254733 |
103127263 |
1 |
Cl2N3H15C16 |
A2B3C15D16 |
68.64 |
4.36 |
-8.79 |
-0.71 |
0 |
|
|
254734 |
103127272 |
1 |
N3C16H23 |
A3B16C23 |
46.14 |
3.26 |
-8.56 |
-0.18 |
0 |
|
|
254735 |
103127274 |
1 |
N3C13H17 |
A3B13C17 |
58.37 |
2.75 |
-8.78 |
-0.65 |
0 |
|
|
254736 |
103127290 |
1 |
N3C18H19 |
A3B18C19 |
73.22 |
2.83 |
-8.62 |
-0.73 |
0 |
|
|
254737 |
103127298 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-42.53 |
7.91 |
-8.77 |
-0.42 |
0 |
|
|
254738 |
103127299 |
1 |
N3C16H23 |
A3B16C23 |
57.34 |
2.47 |
-8.53 |
-0.13 |
0 |
|
|
254739 |
103127302 |
1 |
N3C14H19 |
A3B14C19 |
65.98 |
3.38 |
-8.54 |
-0.21 |
0 |
|
|
254740 |
103127308 |
1 |
N3C13H17 |
A3B13C17 |
66.49 |
2.58 |
-8.56 |
-0.17 |
0 |
|
|
254741 |
103127310 |
1 |
N3C14H19 |
A3B14C19 |
67.25 |
3.59 |
-8.74 |
-0.62 |
0 |
|
|
254742 |
103127312 |
3 |
NC5H7 |
AB5C7 |
61.15 |
2.5 |
-8.52 |
-0.1 |
0 |
|
|
254743 |
103127329 |
1 |
N3C13H17 |
A3B13C17 |
63.62 |
2.15 |
-8.51 |
-0.07 |
0 |
|
|
254744 |
103127334 |
1 |
N3C17H25 |
A3B17C25 |
30.77 |
2.71 |
-8.61 |
-0.58 |
0 |
|
|
254745 |
103127346 |
1 |
SN3H11C12 |
AB3C11D12 |
98.39 |
2.74 |
-8.75 |
-0.58 |
0 |
|
|
254746 |
103127348 |
1 |
SN3C15H17 |
AB3C15D17 |
87.74 |
2.2 |
-8.67 |
-0.5 |
0 |
|
|
254747 |
103127351 |
4 |
NC4H6 |
AB4C6 |
43.97 |
2.37 |
-8.89 |
-0.65 |
0 |
|
|
254748 |
103127365 |
1 |
N3C17H25 |
A3B17C25 |
24.65 |
3.46 |
-8.57 |
-0.21 |
0 |
|
|
254749 |
103127376 |
1 |
N3C17H19 |
A3B17C19 |
64.8 |
2.29 |
-8.64 |
-0.65 |
0 |