List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
149077 |
53788748 |
1 |
BrNO3C9H14 |
ABC3D9E14 |
-140.8 |
5.67 |
-9.66 |
-0.64 |
0 |
|
|
149078 |
53788749 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-27.56 |
5.94 |
-8.77 |
-0.56 |
1 |
|
|
149079 |
53788750 |
1 |
N2S2C23H23 |
A2B2C23D23 |
88.6 |
2.55 |
0.0 |
0.0 |
1 |
|
|
149080 |
53788751 |
1 |
NPO8C48H93 |
ABC8D48E93 |
-530.76 |
4.66 |
0.0 |
0.0 |
0 |
|
|
149081 |
53788752 |
1 |
ClH7C11 |
AB7C11 |
95.43 |
1.45 |
-8.79 |
-0.9 |
0 |
|
|
149082 |
53788753 |
1 |
SCl4N9O11C57H57 |
AB4C9D11E57F57 |
-279.58 |
10.83 |
-8.33 |
-0.97 |
0 |
|
|
149083 |
53788754 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-36.67 |
3.68 |
-8.77 |
0.28 |
0 |
|
|
149084 |
53788755 |
1 |
NO3C23H25 |
AB3C23D25 |
-56.98 |
3.02 |
-8.2 |
-0.04 |
0 |
|
|
149085 |
53788756 |
1 |
INO2H8C10 |
ABC2D8E10 |
9.06 |
2.48 |
-9.45 |
-0.75 |
0 |
|
|
149086 |
53788757 |
3 |
C7H10 |
A7B10 |
-30.16 |
0.55 |
-9.18 |
0.5 |
1 |
|
|
149087 |
53788758 |
1 |
SN2F3O8C13H14 |
AB2C3D8E13F14 |
-411.08 |
8.56 |
0.0 |
0.0 |
0 |
|
|
149088 |
53788759 |
1 |
SN2O4C29H42 |
AB2C4D29E42 |
-214.54 |
1.69 |
-9.28 |
-0.16 |
0 |
|
|
149089 |
53788760 |
1 |
OC30H44 |
AB30C44 |
-33.02 |
2.05 |
-8.3 |
-0.07 |
0 |
|
|
149090 |
53788761 |
2 |
O3C16H25 |
A3B16C25 |
-318.75 |
3.56 |
-9.08 |
-0.14 |
0 |
|
|
149091 |
53788762 |
1 |
SO2C20H22 |
AB2C20D22 |
-34.81 |
5.13 |
-8.8 |
-0.31 |
0 |
|
|
149092 |
53788763 |
1 |
NO4C11H13 |
AB4C11D13 |
-145.48 |
1.77 |
-9.32 |
-0.92 |
0 |
|
|
149093 |
53788764 |
1 |
O3N7C30H35 |
A3B7C30D35 |
-13.95 |
8.11 |
-8.1 |
-0.29 |
0 |
|
|
149094 |
53788765 |
3 |
OC3H4 |
AB3C4 |
-71.9 |
1.7 |
-10.46 |
0.44 |
0 |
|
|
149095 |
53788766 |
1 |
NSO3C11H17 |
ABC3D11E17 |
-103.82 |
6.62 |
-9.64 |
-0.3 |
0 |
|
|
149096 |
53788767 |
1 |
ClON2C27H27 |
ABC2D27E27 |
40.91 |
4.21 |
-8.9 |
-0.43 |
0 |
|
|
149097 |
53788768 |
1 |
ClON2C27H27 |
ABC2D27E27 |
40.66 |
2.66 |
-8.86 |
-0.41 |
0 |
|
|
149098 |
53788769 |
1 |
NO3C6H7 |
AB3C6D7 |
-76.8 |
2.35 |
-8.88 |
-0.2 |
0 |
|
|
149099 |
53788770 |
1 |
Si3O11C27H62 |
A3B11C27D62 |
-698.15 |
3.47 |
-9.48 |
1.15 |
0 |
|
|
149100 |
53788771 |
1 |
ClN3O4H20C23 |
AB3C4D20E23 |
-72.65 |
7.15 |
-8.85 |
-1.33 |
0 |
|
|
149101 |
53788773 |
2 |
NOC18H20 |
ABC18D20 |
-35.08 |
8.05 |
-8.04 |
-0.54 |
0 |
|
|
149102 |
53788774 |
1 |
O2N3C10H11 |
A2B3C10D11 |
22.04 |
4.17 |
-9.1 |
-0.82 |
0 |
|
|
149103 |
53788775 |
1 |
PSN2O3C16H19 |
ABC2D3E16F19 |
-95.51 |
2.88 |
-9.0 |
-0.65 |
0 |
|
|
149104 |
53788776 |
1 |
Cl2N3O3H19C20 |
A2B3C3D19E20 |
-79.5 |
3.71 |
-9.54 |
-1.07 |
0 |
|
|
149105 |
53788777 |
2 |
F2O3C17H22 |
A2B3C17D22 |
-475.63 |
8.45 |
-10.07 |
-1.29 |
1 |
|
|
149106 |
53788778 |
1 |
N2O4H17C19 |
A2B4C17D19 |
-84.94 |
13.18 |
0.0 |
0.0 |
0 |
|
|
149107 |
53788779 |
1 |
NO5C19H19 |
AB5C19D19 |
-131.4 |
2.28 |
-9.57 |
-0.62 |
0 |
|
|
149108 |
53788780 |
2 |
O2C11H17 |
A2B11C17 |
-218.89 |
4.31 |
-9.49 |
0.24 |
0 |
|
|
149109 |
53788781 |
1 |
O4C15H28 |
A4B15C28 |
-193.81 |
5.49 |
-9.64 |
0.51 |
0 |
|
|
149110 |
53788782 |
2 |
ON2C10H10 |
AB2C10D10 |
56.53 |
2.05 |
-7.53 |
-0.89 |
0 |
|
|
149111 |
53788783 |
1 |
O2N4H18C23 |
A2B4C18D23 |
52.87 |
4.78 |
-9.56 |
-1.44 |
0 |
|
|
149112 |
53788784 |
1 |
ON3C18H27 |
AB3C18D27 |
-60.08 |
4.19 |
-8.52 |
0.3 |
0 |
|
|
149113 |
53788785 |
1 |
N3O3C31H43 |
A3B3C31D43 |
-112.1 |
7.86 |
-8.21 |
-0.3 |
0 |
|
|
149114 |
53788786 |
1 |
NO2C15H23 |
AB2C15D23 |
-77.42 |
2.12 |
-7.98 |
0.39 |
0 |
|
|
149115 |
53788787 |
1 |
ClN7C12H16 |
AB7C12D16 |
92.35 |
2.85 |
-9.41 |
-1.03 |
0 |
|
|
149116 |
53788788 |
1 |
BrC15H23 |
AB15C23 |
-30.03 |
2.51 |
-8.95 |
0.25 |
0 |
|
|
149117 |
53788789 |
1 |
SN3O5C14H17 |
AB3C5D14E17 |
-109.85 |
4.0 |
-9.54 |
-0.94 |
0 |
|
|
149118 |
53788790 |
2 |
NOC11H15 |
ABC11D15 |
-44.52 |
2.74 |
-8.88 |
-0.78 |
0 |
|
|
149119 |
53788791 |
2 |
C7H9 |
A7B9 |
43.42 |
0.9 |
-9.19 |
0.39 |
0 |
|
|
149120 |
53788792 |
1 |
ClO4N8C31H41 |
AB4C8D31E41 |
-88.08 |
6.1 |
-8.18 |
-0.85 |
0 |
|
|
149121 |
53788793 |
1 |
NF4C24H29 |
AB4C24D29 |
-204.34 |
7.08 |
-9.7 |
-1.06 |
0 |
|
|
149122 |
53788794 |
1 |
NSO2C7H11 |
ABC2D7E11 |
-75.89 |
2.74 |
-9.31 |
-0.1 |
0 |
|
|
149123 |
53788795 |
1 |
N5O5C25H27 |
A5B5C25D27 |
-106.06 |
4.02 |
-8.2 |
-0.49 |
0 |
|
|
149124 |
53788796 |
1 |
O7C48H78 |
A7B48C78 |
-446.61 |
4.54 |
-10.1 |
0.67 |
0 |
|
|
149125 |
53788797 |
1 |
ClNO2H10C14 |
ABC2D10E14 |
-18.21 |
5.81 |
-9.42 |
-1.38 |
0 |
|
|
149126 |
53788798 |
1 |
IN2O3C14H15 |
AB2C3D14E15 |
-71.32 |
3.33 |
-9.61 |
-1.04 |
0 |