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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
18123 |
538396 |
2 |
O2C5H8 |
A2B5C8 |
-187.5 |
3.28 |
-10.37 |
0.44 |
0 |
|
|
18124 |
538407 |
4 |
O2C3H5 |
A2B3C5 |
-345.47 |
3.5 |
-9.84 |
0.26 |
0 |
|
|
18125 |
538424 |
1 |
NO7H11C15 |
AB7C11D15 |
-167.04 |
3.27 |
-9.81 |
-1.83 |
0 |
|
|
18126 |
538427 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-62.8 |
4.85 |
-8.91 |
-1.47 |
0 |
|
|
18127 |
538429 |
1 |
O5C22H32 |
A5B22C32 |
-212.26 |
2.63 |
-9.92 |
-0.32 |
0 |
|
|
18128 |
538431 |
1 |
O2C21H32 |
A2B21C32 |
-122.48 |
2.21 |
-8.27 |
0.81 |
0 |
|
|
18129 |
538433 |
1 |
O2C25H42 |
A2B25C42 |
-80.45 |
5.25 |
-9.35 |
0.86 |
0 |
|
|
18130 |
538435 |
1 |
OC14H20 |
AB14C20 |
-30.26 |
4.51 |
-9.78 |
0.03 |
0 |
|
|
18131 |
538438 |
1 |
SN2O9C22H28 |
AB2C9D22E28 |
-377.11 |
2.22 |
-8.9 |
-0.28 |
0 |
|
|
18132 |
538439 |
1 |
SN3O5C16H17 |
AB3C5D16E17 |
-91.74 |
7.88 |
-8.98 |
-1.2 |
0 |
|
|
18133 |
538448 |
1 |
O3C14H20 |
A3B14C20 |
-128.31 |
3.32 |
-9.88 |
0.24 |
0 |
|
|
18134 |
538454 |
1 |
SN2O9C22H28 |
AB2C9D22E28 |
-375.37 |
2.47 |
-9.04 |
-0.32 |
0 |
|
|
18135 |
538456 |
1 |
PO6C14H17 |
AB6C14D17 |
-268.61 |
2.65 |
-8.09 |
-0.22 |
0 |
|
|
18136 |
538475 |
2 |
OC11H15 |
AB11C15 |
-63.15 |
4.3 |
-9.55 |
-0.04 |
0 |
|
|
18137 |
538504 |
2 |
NOC7H7 |
ABC7D7 |
-32.9 |
1.99 |
-10.0 |
-0.34 |
0 |
|
|
18138 |
538516 |
1 |
NO4C12H13 |
AB4C12D13 |
-145.69 |
1.74 |
-9.24 |
-0.16 |
0 |
|
|
18139 |
538523 |
2 |
OC15H26 |
AB15C26 |
-181.92 |
2.14 |
-9.37 |
2.37 |
0 |
|
|
18140 |
538524 |
1 |
OC26H48 |
AB26C48 |
-113.47 |
2.97 |
-9.12 |
0.4 |
0 |
|
|
18141 |
538529 |
2 |
O2C17H28 |
A2B17C28 |
-269.88 |
1.54 |
-9.71 |
0.89 |
0 |
|
|
18142 |
538531 |
1 |
O2C17H32 |
A2B17C32 |
-146.97 |
1.71 |
-9.51 |
0.83 |
0 |
|
|
18143 |
538540 |
1 |
O3C29H46 |
A3B29C46 |
-184.77 |
2.89 |
-9.68 |
0.44 |
0 |
|
|
18144 |
538543 |
2 |
OC7H12 |
AB7C12 |
-56.85 |
2.23 |
-9.56 |
0.94 |
0 |
|
|
18145 |
538564 |
1 |
OC10H18 |
AB10C18 |
-66.85 |
3.59 |
-9.38 |
0.79 |
0 |
|
|
18146 |
538568 |
1 |
O2C9H14 |
A2B9C14 |
-113.34 |
5.23 |
-9.94 |
0.9 |
0 |
|
|
18147 |
538571 |
2 |
OC5H9 |
AB5C9 |
-80.01 |
2.1 |
-10.45 |
0.96 |
0 |
|
|
18148 |
538572 |
1 |
O2C9H14 |
A2B9C14 |
-106.61 |
4.26 |
-9.96 |
0.5 |
0 |
|
|
18149 |
538574 |
2 |
O7C16H18 |
A7B16C18 |
-562.12 |
4.38 |
-10.93 |
-2.0 |
0 |
|
|
18150 |
538576 |
2 |
OC6H11 |
AB6C11 |
-119.51 |
2.04 |
-10.22 |
0.85 |
0 |
|
|
18151 |
538578 |
1 |
O2C9H14 |
A2B9C14 |
-106.82 |
2.04 |
-9.88 |
0.67 |
0 |
|
|
18152 |
538579 |
2 |
O2N3H4C5 |
A2B3C4D5 |
85.71 |
6.25 |
-10.11 |
-1.96 |
0 |
|
|
18153 |
538580 |
2 |
N3C7H14 |
A3B7C14 |
48.86 |
0.36 |
-7.97 |
-0.74 |
0 |
|
|
18154 |
538589 |
1 |
O3C10H18 |
A3B10C18 |
-167.73 |
3.83 |
-10.78 |
0.71 |
0 |
|
|
18155 |
538590 |
2 |
O2C5H8 |
A2B5C8 |
-181.43 |
0.93 |
-10.26 |
-0.41 |
0 |
|
|
18156 |
538591 |
2 |
O2C5H8 |
A2B5C8 |
-204.27 |
2.12 |
-9.8 |
0.6 |
0 |
|
|
18157 |
538592 |
1 |
F2N2O9C17H20 |
A2B2C9D17E20 |
-449.44 |
4.12 |
-10.1 |
-0.55 |
0 |
|
|
18158 |
538593 |
1 |
O8C11H16 |
A8B11C16 |
-368.64 |
3.77 |
-10.65 |
0.29 |
0 |
|
|
18159 |
538595 |
1 |
O4C13H16 |
A4B13C16 |
-123.29 |
6.31 |
-9.92 |
-0.54 |
0 |
|
|
18160 |
538600 |
1 |
O2C11H18 |
A2B11C18 |
-90.28 |
2.21 |
-9.7 |
0.96 |
0 |
|
|
18161 |
538605 |
2 |
OC4H6 |
AB4C6 |
-87.5 |
2.32 |
-9.92 |
0.5 |
0 |
|
|
18162 |
538623 |
1 |
SN2O2C19H22 |
AB2C2D19E22 |
-57.25 |
4.29 |
-8.65 |
-0.33 |
0 |
|
|
18163 |
538625 |
2 |
NOC3H4 |
ABC3D4 |
-36.54 |
1.35 |
-9.57 |
-0.02 |
0 |
|
|
18164 |
538631 |
1 |
O3C8H14 |
A3B8C14 |
-161.93 |
3.18 |
-10.46 |
0.76 |
0 |
|
|
18165 |
538639 |
1 |
O9C13H18 |
A9B13C18 |
-402.72 |
2.41 |
-11.09 |
0.03 |
0 |
|
|
18166 |
538640 |
1 |
NSO3F5C6H8 |
ABC3D5E6F8 |
-369.3 |
4.47 |
-11.01 |
-1.66 |
0 |
|
|
18167 |
538643 |
1 |
N2O5C12H18 |
A2B5C12D18 |
-216.02 |
4.35 |
-10.44 |
0.51 |
0 |
|
|
18168 |
538652 |
1 |
O3C14H24 |
A3B14C24 |
-145.58 |
6.29 |
-9.17 |
0.86 |
0 |
|
|
18169 |
538664 |
1 |
O2N5C9H9 |
A2B5C9D9 |
10.44 |
3.5 |
-8.91 |
-0.88 |
0 |
|
|
18170 |
538692 |
1 |
O5C16H28 |
A5B16C28 |
-257.36 |
1.27 |
-10.04 |
1.0 |
0 |
|
|
18171 |
538693 |
1 |
BO6C10H17 |
AB6C10D17 |
-341.16 |
1.28 |
-10.48 |
0.5 |
0 |
|
|
18172 |
538725 |
1 |
NO4C9H15 |
AB4C9D15 |
-194.57 |
4.96 |
-9.55 |
0.44 |
0 |
|
|
18173 |
538729 |
1 |
O10C17H20 |
A10B17C20 |
-394.42 |
8.69 |
-8.6 |
-0.47 |
0 |
|
|
18174 |
538730 |
1 |
NPC7H14 |
ABC7D14 |
-9.56 |
3.87 |
-9.26 |
1.21 |
0 |
|
|
18175 |
538734 |
1 |
O4C13H24 |
A4B13C24 |
-228.22 |
1.65 |
-10.87 |
0.75 |
0 |
|
|
18176 |
538743 |
1 |
NO9C15H23 |
AB9C15D23 |
-421.09 |
1.93 |
-10.01 |
0.44 |
0 |
|
|
18177 |
538744 |
1 |
O6C13H24 |
A6B13C24 |
-292.27 |
3.51 |
-9.93 |
1.39 |
0 |
|
|
18178 |
538774 |
1 |
O3C8H14 |
A3B8C14 |
-152.01 |
2.63 |
-10.41 |
0.22 |
0 |
|
|
18179 |
538775 |
3 |
O2C3H6 |
A2B3C6 |
-243.44 |
3.33 |
-9.41 |
0.18 |
0 |
|
|
18180 |
538779 |
1 |
NSO5C13H23 |
ABC5D13E23 |
-249.31 |
4.22 |
-9.05 |
0.2 |
0 |
|
|
18181 |
538785 |
2 |
O2C5H9 |
A2B5C9 |
-204.56 |
0.08 |
-9.88 |
1.31 |
0 |
|
|
18182 |
538786 |
1 |
NO8C19H31 |
AB8C19D31 |
-347.4 |
3.77 |
-9.21 |
0.24 |
0 |
|
|
18183 |
538787 |
2 |
OC8H16 |
AB8C16 |
-167.85 |
1.72 |
-10.6 |
0.97 |
0 |
|
|
18184 |
538793 |
1 |
NO3C4H7 |
AB3C4D7 |
-46.86 |
3.69 |
-11.09 |
-1.23 |
0 |
|
|
18185 |
538795 |
1 |
N3O8C13H15 |
A3B8C13D15 |
-180.03 |
6.67 |
-10.23 |
-2.11 |
0 |
|
|
18186 |
538797 |
1 |
SN2C8H12 |
AB2C8D12 |
43.65 |
2.34 |
-9.15 |
-0.16 |
0 |
|
|
18187 |
538798 |
1 |
OSC13H18 |
ABC13D18 |
-31.85 |
0.93 |
-8.21 |
0.28 |
0 |
|
|
18188 |
538802 |
2 |
O2C5H9 |
A2B5C9 |
-215.93 |
3.67 |
-11.08 |
0.5 |
0 |
|
|
18189 |
538803 |
1 |
SO2C6H10 |
AB2C6D10 |
-92.68 |
4.25 |
-9.06 |
-0.12 |
0 |
|
|
18190 |
538809 |
1 |
Cl2O4H10C11 |
A2B4C10D11 |
-178.81 |
3.44 |
-9.86 |
-0.86 |
0 |
|
|
18191 |
538839 |
1 |
O5C39H56 |
A5B39C56 |
-270.24 |
4.81 |
-9.66 |
-0.54 |
0 |
|
|
18192 |
538852 |
1 |
ClNO4H12C14 |
ABC4D12E14 |
-131.09 |
7.31 |
-9.41 |
-0.88 |
0 |
|
|
18193 |
538867 |
2 |
NOC9H9 |
ABC9D9 |
-31.16 |
4.26 |
-9.38 |
-0.41 |
0 |
|
|
18194 |
538870 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-72.43 |
8.16 |
-9.26 |
-0.36 |
0 |
|
|
18195 |
538871 |
1 |
SO2N3C25H35 |
AB2C3D25E35 |
-22.61 |
4.48 |
-8.43 |
-0.26 |
0 |
|
|
18196 |
538873 |
1 |
ON6C11H16 |
AB6C11D16 |
47.06 |
6.16 |
-9.09 |
-0.54 |
0 |
|
|
18197 |
538876 |
2 |
O2C17H28 |
A2B17C28 |
-245.87 |
3.47 |
-9.1 |
0.82 |
0 |
|
|
18198 |
538881 |
1 |
NO3C12H13 |
AB3C12D13 |
-114.69 |
2.81 |
-9.91 |
-0.22 |
0 |
|
|
18199 |
538887 |
1 |
OC12H20 |
AB12C20 |
-55.54 |
0.44 |
-8.72 |
1.29 |
0 |
|
|
18200 |
538888 |
1 |
O7C19H24 |
A7B19C24 |
-300.41 |
4.66 |
-9.83 |
-0.15 |
0 |
|
|
18201 |
538892 |
1 |
NO9C20H25 |
AB9C20D25 |
-394.63 |
5.53 |
-8.81 |
-0.25 |
0 |
|
|
18202 |
538895 |
1 |
ON4C8H8 |
AB4C8D8 |
40.01 |
3.68 |
-10.84 |
-1.23 |
0 |
|
|
18203 |
538897 |
1 |
O3C13H20 |
A3B13C20 |
-107.72 |
2.49 |
-9.94 |
0.48 |
0 |
|
|
18204 |
538903 |
1 |
NO16C34H41 |
AB16C34D41 |
-674.07 |
1.63 |
-10.36 |
-0.88 |
0 |
|
|
18205 |
538904 |
1 |
NO4C23H33 |
AB4C23D33 |
-193.93 |
2.83 |
-9.8 |
0.18 |
0 |
|
|
18206 |
538909 |
4 |
OC3H4 |
AB3C4 |
-165.07 |
2.97 |
-9.38 |
-0.66 |
0 |
|
|
18207 |
538910 |
1 |
OC10H16 |
AB10C16 |
7.64 |
2.04 |
-9.16 |
1.32 |
0 |
|
|
18208 |
538913 |
3 |
OC3H4 |
AB3C4 |
-118.61 |
2.28 |
-9.26 |
0.54 |
0 |
|
|
18209 |
538916 |
1 |
O2C27H46 |
A2B27C46 |
74.11 |
1.44 |
-6.59 |
-0.91 |
0 |
|
|
18210 |
538917 |
2 |
O2C5H7 |
A2B5C7 |
-193.41 |
6.92 |
-10.97 |
0.23 |
0 |
|
|
18211 |
538922 |
1 |
SN2O10C22H28 |
AB2C10D22E28 |
-409.84 |
4.72 |
-8.83 |
-0.34 |
0 |
|
|
18212 |
538923 |
1 |
NO3C12H19 |
AB3C12D19 |
-98.42 |
3.91 |
-8.54 |
0.74 |
0 |
|
|
18213 |
538929 |
1 |
NSCl2O3H11C14 |
ABC2D3E11F14 |
-94.22 |
7.95 |
-9.62 |
-1.0 |
0 |
|
|
18214 |
538939 |
2 |
O2C7H10 |
A2B7C10 |
-174.82 |
1.66 |
-10.07 |
0.16 |
0 |
|
|
18215 |
538942 |
2 |
O2C6H9 |
A2B6C9 |
-124.25 |
5.56 |
-9.13 |
0.33 |
0 |
|
|
18216 |
538943 |
1 |
O2C15H22 |
A2B15C22 |
-8.51 |
2.19 |
-7.27 |
-0.18 |
0 |
|
|
18217 |
538947 |
1 |
OC26H40 |
AB26C40 |
-47.29 |
5.97 |
-8.79 |
-0.57 |
0 |
|
|
18218 |
538948 |
1 |
OC18H30 |
AB18C30 |
-83.93 |
3.55 |
-8.78 |
0.79 |
0 |
|
|
18219 |
538949 |
1 |
O3C10H16 |
A3B10C16 |
-134.34 |
4.0 |
-9.73 |
0.09 |
0 |
|
|
18220 |
538950 |
1 |
FN2O3C21H25 |
AB2C3D21E25 |
-144.21 |
2.37 |
-8.41 |
-0.36 |
0 |
|
|
18221 |
538951 |
1 |
BrO2C11H15 |
AB2C11D15 |
-79.0 |
2.39 |
-9.49 |
0.02 |
0 |
|
|
18222 |
538954 |
1 |
OC12H22 |
AB12C22 |
-80.15 |
3.06 |
-9.05 |
0.87 |
0 |