List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
313990 |
126619433 |
1 |
S2N3C20H25 |
A2B3C20D25 |
44.94 |
2.28 |
-8.45 |
-0.72 |
0 |
|
|
313991 |
126619434 |
1 |
O2S2N3C6H7 |
A2B2C3D6E7 |
-45.17 |
2.21 |
-9.21 |
-1.58 |
0 |
|
|
313992 |
126619435 |
1 |
S2N4C15H18 |
A2B4C15D18 |
63.77 |
1.85 |
-8.83 |
-0.44 |
0 |
|
|
313994 |
126619447 |
1 |
OSN2C8H10 |
ABC2D8E10 |
-16.3 |
4.38 |
-8.6 |
-0.28 |
0 |
|
|
313995 |
126619451 |
2 |
OC14H21 |
AB14C21 |
-98.98 |
0.52 |
-8.84 |
0.57 |
0 |
|
|
313996 |
126619453 |
1 |
NCl2F2C11H15 |
AB2C2D11E15 |
-135.2 |
3.24 |
-9.22 |
0.02 |
0 |
|
|
313997 |
126619454 |
1 |
ClNF2C11H14 |
ABC2D11E14 |
-102.37 |
0.93 |
-9.3 |
0.19 |
0 |
|
|
313998 |
126619455 |
1 |
N3O5C7H15 |
A3B5C7D15 |
-218.09 |
2.16 |
-10.25 |
-0.62 |
0 |
|
|
313999 |
126619457 |
1 |
N3O7H39C43 |
A3B7C39D43 |
-158.14 |
6.42 |
-8.9 |
-0.52 |
0 |
|
|
314000 |
126619459 |
1 |
N3O7C45H51 |
A3B7C45D51 |
-169.1 |
1.92 |
-8.7 |
-0.22 |
0 |
|
|
314001 |
126619467 |
1 |
O2C13H28 |
A2B13C28 |
-158.36 |
2.64 |
-10.08 |
2.46 |
0 |
|
|
314002 |
126619468 |
1 |
O2N3C36H51 |
A2B3C36D51 |
-81.84 |
3.08 |
-8.6 |
-1.49 |
0 |
|
|
314003 |
126619493 |
1 |
N3C17H21 |
A3B17C21 |
59.49 |
7.82 |
-8.37 |
-0.32 |
0 |
|
|
314004 |
126619520 |
1 |
O2C19H30 |
A2B19C30 |
-98.54 |
2.73 |
-8.47 |
0.15 |
0 |
|
|
314005 |
126619522 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-76.18 |
3.31 |
-8.9 |
-0.84 |
0 |
|
|
314006 |
126619524 |
1 |
N5C17H35 |
A5B17C35 |
-21.09 |
2.27 |
-8.97 |
2.01 |
0 |
|
|
314007 |
126619551 |
1 |
NO4F7C12H14 |
AB4C7D12E14 |
-536.44 |
7.36 |
-9.58 |
-0.73 |
0 |
|
|
314008 |
126619557 |
1 |
ON4C24H26 |
AB4C24D26 |
35.86 |
2.99 |
-8.81 |
-0.81 |
0 |
|
|
314009 |
126619558 |
1 |
O2N5C25H25 |
A2B5C25D25 |
3.21 |
4.44 |
-8.63 |
-1.04 |
0 |
|
|
314010 |
126619559 |
1 |
NC16H17 |
AB16C17 |
105.91 |
1.59 |
-8.32 |
-0.21 |
0 |
|
|
314011 |
126619560 |
1 |
ON2H12C13 |
AB2C12D13 |
9.61 |
6.48 |
-8.8 |
-0.93 |
0 |
|
|
314012 |
126619561 |
1 |
ON2H12C13 |
AB2C12D13 |
2.44 |
6.9 |
-9.1 |
-1.01 |
0 |
|
|
314013 |
126619564 |
1 |
ON5H23C25 |
AB5C23D25 |
84.85 |
6.02 |
-8.72 |
-1.02 |
0 |
|
|
314014 |
126619565 |
1 |
N3C19H19 |
A3B19C19 |
127.54 |
8.05 |
-8.59 |
-0.29 |
0 |
|
|
314015 |
126619570 |
1 |
ON2C15H24 |
AB2C15D24 |
-41.81 |
3.86 |
-8.87 |
0.28 |
0 |
|
|
314016 |
126619576 |
1 |
NO3C17H27 |
AB3C17D27 |
-135.93 |
1.72 |
-9.04 |
-0.07 |
0 |
|
|
314017 |
126619577 |
1 |
NO3C17H29 |
AB3C17D29 |
-147.75 |
1.86 |
-9.03 |
-0.07 |
0 |
|
|
314018 |
126619600 |
2 |
NO2C17H28 |
AB2C17D28 |
-201.04 |
1.85 |
-8.55 |
-0.07 |
0 |
|
|
314019 |
126619606 |
1 |
NOC18H31 |
ABC18D31 |
-69.49 |
3.34 |
-8.69 |
0.42 |
0 |
|
|
314020 |
126619616 |
1 |
N2O5C28H44 |
A2B5C28D44 |
-201.09 |
3.16 |
-8.22 |
0.09 |
0 |
|
|
314021 |
126619626 |
1 |
ISN4O4C23H29 |
ABC4D4E23F29 |
-133.25 |
3.01 |
-9.19 |
-1.86 |
0 |
|
|
314022 |
126619689 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-113.34 |
3.33 |
-9.32 |
-0.87 |
0 |
|
|
314023 |
126619698 |
1 |
S2O8N9C54H63 |
A2B8C9D54E63 |
-209.87 |
14.8 |
-8.61 |
-1.21 |
0 |
|
|
314024 |
126619700 |
1 |
INO2C14H14 |
ABC2D14E14 |
-10.34 |
3.04 |
-8.62 |
-1.15 |
0 |
|
|
314025 |
126619737 |
1 |
N3O6C49H79 |
A3B6C49D79 |
-305.59 |
5.4 |
-8.61 |
-0.1 |
0 |
|
|
314026 |
126619740 |
1 |
O2N3H15C24 |
A2B3C15D24 |
105.42 |
2.35 |
-8.62 |
-1.32 |
0 |
|
|
314027 |
126619755 |
1 |
ClS2O8N9C57H68 |
AB2C8D9E57F68 |
-222.24 |
10.66 |
-8.89 |
-1.47 |
0 |
|
|
314028 |
126619756 |
4 |
OC3H5 |
AB3C5 |
-149.3 |
2.73 |
-9.95 |
0.97 |
0 |
|
|
314029 |
126619763 |
1 |
NO7C25H41 |
AB7C25D41 |
-338.09 |
5.12 |
-8.78 |
0.23 |
0 |
|
|
314030 |
126619772 |
1 |
O5C13H24 |
A5B13C24 |
-254.29 |
1.43 |
-10.26 |
0.49 |
0 |
|
|
314031 |
126619781 |
1 |
ClS2O7N11C58H64 |
AB2C7D11E58F64 |
-120.27 |
8.94 |
-9.28 |
-1.32 |
0 |
|
|
314032 |
126619784 |
1 |
N3O6C28H33 |
A3B6C28D33 |
-182.4 |
7.3 |
-9.12 |
-0.92 |
0 |
|
|
314033 |
126619870 |
1 |
ON2C15H24 |
AB2C15D24 |
-35.91 |
3.41 |
-8.86 |
0.26 |
0 |
|
|
314034 |
126619872 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-76.21 |
4.19 |
-8.28 |
0.41 |
0 |
|
|
314035 |
126619873 |
2 |
NOC8H10 |
ABC8D10 |
-53.66 |
4.42 |
-9.12 |
-0.42 |
0 |
|
|
314036 |
126619879 |
1 |
NOC15H23 |
ABC15D23 |
-29.35 |
2.18 |
-8.67 |
0.49 |
0 |
|
|
314037 |
126619881 |
1 |
ON2C15H24 |
AB2C15D24 |
-38.59 |
1.97 |
-8.92 |
0.03 |
0 |
|
|
314038 |
126619885 |
1 |
ClS2O5N11C56H62 |
AB2C5D11E56F62 |
-66.43 |
21.07 |
-8.9 |
-1.71 |
0 |
|
|
314040 |
126619888 |
1 |
ClS2O8N10C58H65 |
AB2C8D10E58F65 |
-184.37 |
6.73 |
-8.64 |
-1.51 |
0 |
|
|
314041 |
126619890 |
1 |
ClS2O8N10C61H71 |
AB2C8D10E61F71 |
-199.85 |
9.93 |
-8.96 |
-1.53 |
0 |