List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
8694 |
80387 |
1 |
N2O3C6H10 |
A2B3C6D10 |
-87.93 |
4.69 |
-9.55 |
0.17 |
0 |
|
|
8695 |
80408 |
1 |
S2C5H6 |
A2B5C6 |
24.97 |
1.21 |
-9.07 |
-0.43 |
0 |
|
|
8696 |
80409 |
1 |
ClSC7H7 |
ABC7D7 |
9.75 |
1.5 |
-9.12 |
-0.41 |
0 |
|
|
8697 |
80410 |
1 |
ClN2O3C7H7 |
AB2C3D7E7 |
-29.85 |
7.91 |
-8.98 |
-1.22 |
0 |
|
|
8700 |
80417 |
1 |
NSO4C12H13 |
ABC4D12E13 |
-127.11 |
9.67 |
-8.58 |
-1.0 |
0 |
|
|
8701 |
80421 |
1 |
OC5H8 |
AB5C8 |
-7.42 |
2.75 |
-10.23 |
1.21 |
0 |
|
|
8702 |
80422 |
1 |
Na2S2N5O7H21C32 |
A2B2C5D7E21F32 |
-145.78 |
63.67 |
-7.74 |
-2.76 |
0 |
|
|
8703 |
80427 |
1 |
NO4H11C13 |
AB4C11D13 |
-119.71 |
3.06 |
-8.94 |
-0.81 |
0 |
|
|
8704 |
80441 |
1 |
S3C7H16 |
A3B7C16 |
-12.34 |
1.32 |
-8.54 |
0.16 |
0 |
|
|
8705 |
80448 |
1 |
AsO4C8H11 |
AB4C8D11 |
-126.3 |
4.17 |
-9.14 |
-0.08 |
0 |
|
|
8706 |
80451 |
1 |
O3C12H14 |
A3B12C14 |
-113.79 |
1.98 |
-10.02 |
-0.58 |
0 |
|
|
8707 |
80452 |
1 |
O3C8H10 |
A3B8C10 |
-103.15 |
2.14 |
-9.92 |
-0.51 |
0 |
|
|
8708 |
80453 |
1 |
O2N3C5H7 |
A2B3C5D7 |
-84.34 |
4.05 |
-9.8 |
-0.58 |
0 |
|
|
8709 |
80459 |
1 |
O2H12C13 |
A2B12C13 |
-29.65 |
1.78 |
-8.55 |
0.08 |
0 |
|
|
8710 |
80483 |
1 |
N2S2O3C14H18 |
A2B2C3D14E18 |
-96.16 |
5.61 |
-8.89 |
-0.93 |
0 |
|
|
8711 |
80484 |
1 |
OSN2H14C15 |
ABC2D14E15 |
18.31 |
3.06 |
-9.21 |
-0.7 |
0 |
|
|
8712 |
80485 |
1 |
OSN3C16H17 |
ABC3D16E17 |
27.83 |
4.62 |
-8.37 |
-0.56 |
0 |
|
|
8713 |
80518 |
1 |
PCl3O3C6H12 |
AB3C3D6E12 |
-228.61 |
3.15 |
-10.74 |
0.21 |
0 |
|
|
8714 |
80520 |
1 |
ClOF3H4C7 |
ABC3D4E7 |
-192.17 |
3.06 |
-9.55 |
-1.05 |
0 |
|
|
8715 |
80528 |
1 |
ClN2C5H5 |
AB2C5D5 |
25.86 |
4.11 |
-8.89 |
-0.41 |
0 |
|
|
8716 |
80539 |
1 |
SN3O3H13C16 |
AB3C3D13E16 |
-12.01 |
5.56 |
-8.56 |
-1.54 |
0 |
|
|
8717 |
80558 |
1 |
ON2C9H12 |
AB2C9D12 |
-29.2 |
4.81 |
-9.18 |
-0.03 |
0 |
|
|
8718 |
80575 |
1 |
NaSN2O4C24H27 |
ABC2D4E24F27 |
-156.82 |
13.25 |
-8.25 |
-0.27 |
0 |
|
|
8719 |
80584 |
2 |
OC6H9 |
AB6C9 |
-87.24 |
1.06 |
-9.32 |
0.4 |
0 |
|
|
8720 |
80617 |
1 |
NO5C8H13 |
AB5C8D13 |
-219.42 |
2.82 |
-10.31 |
-0.07 |
0 |
|
|
8721 |
80622 |
1 |
ON2C4H6 |
AB2C4D6 |
-18.67 |
2.39 |
-10.31 |
0.55 |
0 |
|
|
8722 |
80623 |
1 |
SN2O2C9H14 |
AB2C2D9E14 |
-59.7 |
5.15 |
-9.1 |
-0.43 |
0 |
|
|
8723 |
80666 |
2 |
SN2C3H7 |
AB2C3D7 |
26.66 |
3.48 |
-9.2 |
-0.22 |
0 |
|
|
8724 |
80706 |
1 |
NSO5H11C12 |
ABC5D11E12 |
-178.4 |
9.81 |
-8.94 |
-1.21 |
0 |
|
|
8725 |
80707 |
1 |
SN2O5H16C18 |
AB2C5D16E18 |
-154.87 |
9.81 |
-8.8 |
-1.02 |
0 |
|
|
8726 |
80776 |
1 |
N3C15H17 |
A3B15C17 |
23.67 |
2.16 |
-7.29 |
0.29 |
0 |
|
|
8727 |
80781 |
1 |
ON2C11H16 |
AB2C11D16 |
-43.71 |
5.26 |
-8.62 |
0.09 |
0 |
|
|
8728 |
80785 |
1 |
ClNO3C8H8 |
ABC3D8E8 |
-33.29 |
6.57 |
-9.71 |
-1.29 |
0 |
|
|
8729 |
80790 |
1 |
OC11H16 |
AB11C16 |
-43.95 |
1.71 |
-8.49 |
0.52 |
0 |
|
|
8730 |
80824 |
1 |
SNa2N4O6H14C20 |
AB2C4D6E14F20 |
-154.54 |
59.17 |
-7.79 |
-2.57 |
0 |
|
|
8731 |
80827 |
4 |
OH3C4 |
AB3C4 |
-84.04 |
2.77 |
-9.09 |
-1.42 |
0 |
|
|
8732 |
80828 |
2 |
NOH5C7 |
ABC5D7 |
23.7 |
0.65 |
-7.82 |
-1.36 |
0 |
|
|
8733 |
80834 |
2 |
NOH9C11 |
ABC9D11 |
-0.74 |
3.68 |
-7.76 |
-1.47 |
0 |
|
|
8734 |
80837 |
2 |
NNaSO4H16C17 |
ABCD4E16F17 |
-424.02 |
6.65 |
-8.45 |
-1.39 |
0 |
|
|
8735 |
80848 |
2 |
BrNOH4C7 |
ABCD4E7 |
-17.65 |
1.1 |
-8.27 |
-1.88 |
0 |
|
|
8736 |
80849 |
1 |
NS2O8H11C12 |
AB2C8D11E12 |
-300.21 |
8.39 |
-9.5 |
-1.78 |
0 |
|
|
8737 |
80850 |
1 |
ClSN2O4H11C13 |
ABC2D4E11F13 |
-33.92 |
4.31 |
-9.01 |
-1.93 |
0 |
|
|
8738 |
80851 |
1 |
NO4H13C21 |
AB4C13D21 |
-76.88 |
4.6 |
-8.87 |
-1.96 |
0 |
|
|
8739 |
80854 |
1 |
ClO2N3H16C23 |
AB2C3D16E23 |
42.42 |
5.79 |
-8.7 |
-1.78 |
0 |
|
|
8740 |
80855 |
1 |
ClO2N3H16C23 |
AB2C3D16E23 |
41.63 |
4.46 |
-8.78 |
-1.76 |
0 |
|
|
8741 |
80869 |
1 |
Cl2S2N3O9H17C24 |
A2B2C3D9E17F24 |
-248.91 |
9.04 |
-8.89 |
-1.8 |
0 |
|
|
8742 |
80871 |
1 |
N5H21C30 |
A5B21C30 |
217.92 |
4.33 |
-8.2 |
-1.36 |
0 |
|
|
8743 |
80876 |
1 |
CaSN2O6H12C21 |
ABC2D6E12F21 |
-187.75 |
6.89 |
-8.97 |
-1.88 |
0 |
|
|
8744 |
80878 |
1 |
K2O5H10C20 |
A2B5C10D20 |
-190.65 |
17.66 |
-7.25 |
-0.76 |
0 |
|
|
8745 |
80879 |
1 |
OF2H4C6 |
AB2C4D6 |
-109.33 |
3.79 |
-9.6 |
-0.43 |
0 |
|
|
8746 |
80880 |
1 |
PO3C15H33 |
AB3C15D33 |
-255.42 |
1.28 |
-10.36 |
1.09 |
0 |
|
|
8747 |
80918 |
1 |
ClNaSN3O6H13C18 |
ABCD3E6F13G18 |
-198.65 |
5.71 |
-8.32 |
-1.68 |
0 |
|
|
8748 |
80929 |
1 |
N2O4H20C41 |
A2B4C20D41 |
42.79 |
6.87 |
-8.79 |
-2.17 |
0 |
|
|
8749 |
80949 |
1 |
SN3O5H11C12 |
AB3C5D11E12 |
-55.97 |
8.61 |
-9.39 |
-2.11 |
0 |
|
|
8750 |
80958 |
1 |
ClN4O4H17C24 |
AB4C4D17E24 |
33.34 |
7.06 |
-8.58 |
-2.33 |
0 |
|
|
8751 |
81018 |
1 |
HON2Cl3C5 |
ABC2D3E5 |
5.88 |
2.11 |
-10.58 |
-2.32 |
0 |
|
|
8752 |
81039 |
2 |
OC5H9 |
AB5C9 |
-129.08 |
1.97 |
-10.41 |
1.04 |
0 |
|
|
8753 |
81045 |
1 |
O2C15H30 |
A2B15C30 |
-158.51 |
1.52 |
-10.73 |
0.86 |
0 |
|
|
8754 |
81051 |
1 |
NCl2H3C7 |
AB2C3D7 |
40.88 |
2.25 |
-9.99 |
-1.32 |
0 |
|
|
8755 |
81053 |
1 |
ClN2O2H3C7 |
AB2C2D3E7 |
50.63 |
6.76 |
-10.62 |
-2.09 |
0 |
|
|
8756 |
81140 |
3 |
NC8H9 |
AB8C9 |
74.02 |
1.56 |
-8.08 |
0.29 |
0 |
|
|
8757 |
81197 |
1 |
NO2C9H13 |
AB2C9D13 |
-57.24 |
2.17 |
-11.3 |
-1.15 |
0 |
|
|
8758 |
81291 |
1 |
NO5C6H15 |
AB5C6D15 |
-257.3 |
3.52 |
-10.5 |
0.84 |
0 |
|
|
8759 |
81295 |
2 |
NOC3H5 |
ABC3D5 |
-95.68 |
4.0 |
-10.05 |
0.0 |
0 |
|
|
8760 |
81296 |
1 |
NO2S2C13H19 |
AB2C2D13E19 |
-67.07 |
3.16 |
-8.57 |
-0.27 |
0 |
|
|
8762 |
81307 |
1 |
O3C18H34 |
A3B18C34 |
-198.9 |
1.14 |
-9.84 |
0.5 |
0 |
|
|
8763 |
81309 |
1 |
PO3C10H23 |
AB3C10D23 |
-235.57 |
1.35 |
-10.68 |
1.28 |
0 |
|
|
8764 |
81310 |
1 |
NO4H21C24 |
AB4C21D24 |
-51.16 |
4.55 |
-7.92 |
-0.92 |
0 |
|
|
8765 |
81314 |
1 |
NOSC6H13 |
ABCD6E13 |
-44.38 |
2.09 |
-9.29 |
-0.34 |
0 |
|
|
8766 |
81316 |
1 |
O4C11H12 |
A4B11C12 |
-140.43 |
1.71 |
-8.83 |
-0.23 |
0 |
|
|
8767 |
81317 |
2 |
O2C6H7 |
A2B6C7 |
-145.35 |
1.78 |
-8.84 |
-0.22 |
0 |
|
|
8768 |
81320 |
1 |
Cl2O4C7H10 |
A2B4C7D10 |
-200.59 |
3.08 |
-11.6 |
-1.0 |
0 |
|
|
8769 |
81321 |
2 |
ClNS2H8O8C14 |
ABC2D8E8F14 |
-508.43 |
3.18 |
-8.01 |
-2.26 |
0 |
|
|
8770 |
81325 |
1 |
O3C9H10 |
A3B9C10 |
-109.12 |
0.82 |
-10.09 |
-0.77 |
0 |
|
|
8771 |
81343 |
1 |
O2N3H11C13 |
A2B3C11D13 |
9.39 |
9.3 |
-8.83 |
-1.17 |
0 |