List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
49060 |
11528665 |
2 |
O2C6H7 |
A2B6C7 |
-148.29 |
6.1 |
-9.91 |
-0.69 |
0 |
|
|
49061 |
11528666 |
2 |
O2C6H7 |
A2B6C7 |
-153.06 |
9.02 |
-9.64 |
-0.56 |
0 |
|
|
49062 |
11528668 |
1 |
O3C13H18 |
A3B13C18 |
-129.32 |
2.31 |
-9.25 |
0.28 |
0 |
|
|
49063 |
11528669 |
1 |
N2H14C15 |
A2B14C15 |
67.07 |
3.03 |
-7.72 |
-0.01 |
0 |
|
|
49064 |
11528670 |
1 |
C17H18 |
A17B18 |
69.67 |
1.09 |
-8.76 |
-0.39 |
0 |
|
|
49065 |
11528671 |
1 |
OSC13H18 |
ABC13D18 |
-28.93 |
0.94 |
-8.63 |
-0.09 |
0 |
|
|
49066 |
11528672 |
1 |
BrC11H11 |
AB11C11 |
28.69 |
2.55 |
-8.99 |
-0.33 |
0 |
|
|
49067 |
11528673 |
1 |
NO3C12H17 |
AB3C12D17 |
-138.89 |
1.91 |
-10.1 |
0.26 |
0 |
|
|
49068 |
11528674 |
1 |
N3H13C14 |
A3B13C14 |
74.01 |
2.7 |
-8.32 |
-0.37 |
0 |
|
|
49069 |
11528675 |
1 |
N3H13C14 |
A3B13C14 |
93.44 |
2.87 |
-9.56 |
-1.1 |
0 |
|
|
49070 |
11528676 |
1 |
S2N3C9H9 |
A2B3C9D9 |
84.91 |
5.76 |
-8.5 |
-0.91 |
0 |
|
|
49071 |
11528677 |
1 |
N3C13H25 |
A3B13C25 |
25.76 |
1.6 |
-8.98 |
1.05 |
0 |
|
|
49072 |
11528678 |
1 |
NS2C11H13 |
AB2C11D13 |
31.56 |
2.77 |
-8.65 |
-0.35 |
0 |
|
|
49073 |
11528680 |
1 |
PO2C11H15 |
AB2C11D15 |
-93.27 |
1.81 |
-8.96 |
0.05 |
0 |
|
|
49074 |
11528681 |
1 |
NCl2H7C11 |
AB2C7D11 |
49.62 |
3.74 |
-9.55 |
-1.16 |
0 |
|
|
49075 |
11528682 |
1 |
OF2N2H10C11 |
AB2C2D10E11 |
-80.53 |
8.03 |
-9.08 |
-0.68 |
0 |
|
|
49076 |
11528683 |
1 |
O3C13H20 |
A3B13C20 |
-107.34 |
4.64 |
-10.26 |
0.07 |
0 |
|
|
49077 |
11528684 |
2 |
OC7H12 |
AB7C12 |
-124.59 |
1.95 |
-9.48 |
0.96 |
0 |
|
|
49078 |
11528685 |
1 |
OC15H28 |
AB15C28 |
-80.61 |
4.0 |
-9.85 |
0.77 |
0 |
|
|
49079 |
11528686 |
1 |
ClO2C12H13 |
AB2C12D13 |
-61.48 |
3.8 |
-9.7 |
-0.62 |
0 |
|
|
49080 |
11528688 |
1 |
BNSO2C10H16 |
ABCD2E10F16 |
-145.29 |
3.32 |
-9.0 |
-0.14 |
0 |
|
|
49081 |
11528689 |
1 |
NSO3C10H11 |
ABC3D10E11 |
-37.29 |
3.57 |
-9.63 |
-0.59 |
0 |
|
|
49082 |
11528691 |
1 |
NOC15H15 |
ABC15D15 |
16.78 |
2.26 |
-9.19 |
-0.4 |
0 |
|
|
49083 |
11528692 |
1 |
NSH11C14 |
ABC11D14 |
78.4 |
5.12 |
-8.97 |
-0.98 |
0 |
|
|
49084 |
11528693 |
1 |
NO2C13H23 |
AB2C13D23 |
-106.77 |
2.65 |
-9.34 |
0.72 |
0 |
|
|
49085 |
11528694 |
1 |
ClON3C10H12 |
ABC3D10E12 |
14.23 |
2.66 |
-9.15 |
-0.76 |
0 |
|
|
49086 |
11528695 |
1 |
ClNOC12H16 |
ABCD12E16 |
-45.97 |
1.41 |
-9.05 |
-0.07 |
0 |
|
|
49087 |
11528696 |
1 |
ClNC13H20 |
ABC13D20 |
-15.81 |
2.37 |
-8.79 |
-0.06 |
0 |
|
|
49088 |
11528697 |
1 |
BrNOH8C9 |
ABCD8E9 |
12.31 |
5.61 |
-9.03 |
-0.79 |
0 |
|
|
49089 |
11528698 |
1 |
O5C11H14 |
A5B11C14 |
-219.67 |
5.69 |
-10.27 |
0.38 |
0 |
|
|
49090 |
11528699 |
2 |
O2C6H9 |
A2B6C9 |
-147.47 |
4.91 |
-9.96 |
-0.76 |
0 |
|
|
49091 |
11528700 |
1 |
SN2O4C7H18 |
AB2C4D7E18 |
-196.68 |
4.19 |
-9.35 |
-1.01 |
0 |
|
|
49092 |
11528701 |
1 |
N2C7H16 |
A2B7C16 |
-24.96 |
3.15 |
-9.1 |
3.15 |
0 |
|
|
49093 |
11528702 |
1 |
ClN2O3H7C9 |
AB2C3D7E9 |
-93.75 |
2.02 |
-9.6 |
-0.92 |
0 |
|
|
49094 |
11528703 |
1 |
NPO3C10H14 |
ABC3D10E14 |
-168.52 |
4.66 |
-9.23 |
0.38 |
0 |
|
|
49095 |
11528704 |
1 |
O2N3H9C12 |
A2B3C9D12 |
-16.7 |
5.57 |
-10.02 |
-0.82 |
0 |
|
|
49096 |
11528705 |
1 |
NO2H13C14 |
AB2C13D14 |
1.96 |
5.07 |
-8.74 |
-0.69 |
0 |
|
|
49097 |
11528707 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-58.23 |
1.61 |
-9.4 |
-0.11 |
0 |
|
|
49098 |
11528708 |
1 |
F2N2O3H6C9 |
A2B2C3D6E9 |
-176.74 |
1.62 |
-9.68 |
-1.22 |
0 |
|
|
49099 |
11528709 |
1 |
F2N2O3H6C9 |
A2B2C3D6E9 |
-173.6 |
2.23 |
-9.73 |
-1.12 |
0 |
|
|
49100 |
11528710 |
1 |
PO4C10H13 |
AB4C10D13 |
-192.29 |
4.73 |
-9.68 |
0.07 |
0 |
|
|
49101 |
11528711 |
1 |
OF3H11C12 |
AB3C11D12 |
-148.54 |
5.33 |
-9.82 |
-0.89 |
0 |
|
|
49102 |
11528712 |
1 |
ON4C12H12 |
AB4C12D12 |
23.54 |
5.59 |
-8.69 |
-0.23 |
0 |
|
|
49103 |
11528713 |
1 |
FN2H13C14 |
AB2C13D14 |
22.36 |
1.5 |
-8.13 |
-0.6 |
0 |
|
|
49104 |
11528715 |
1 |
N4C13H16 |
A4B13C16 |
116.27 |
2.9 |
-9.04 |
-0.1 |
0 |
|
|
49105 |
11528716 |
1 |
N2C15H20 |
A2B15C20 |
33.31 |
5.8 |
-8.23 |
0.34 |
0 |
|
|
49106 |
11528717 |
1 |
N2C15H20 |
A2B15C20 |
29.01 |
4.04 |
-8.77 |
-0.48 |
0 |
|
|
49107 |
11528718 |
2 |
OC7H14 |
AB7C14 |
-144.76 |
2.8 |
-9.6 |
2.11 |
0 |
|
|
49108 |
11528719 |
1 |
ClN2O3C9H9 |
AB2C3D9E9 |
-62.38 |
3.12 |
-9.79 |
-0.99 |
0 |
|
|
49109 |
11528720 |
1 |
ClN2O2C10H13 |
AB2C2D10E13 |
-79.67 |
2.56 |
-8.45 |
-0.06 |
0 |
|
|
49110 |
11528721 |
1 |
ClN2H9C13 |
AB2C9D13 |
84.78 |
5.46 |
-8.81 |
-0.92 |
0 |
|
|
49111 |
11528722 |
1 |
ClFN2C11H14 |
ABC2D11E14 |
-36.07 |
1.55 |
-9.12 |
-0.41 |
0 |
|
|
49112 |
11528723 |
1 |
NO2F3H6C10 |
AB2C3D6E10 |
-184.42 |
0.91 |
-9.86 |
-1.67 |
0 |
|
|
49113 |
11528724 |
1 |
N3O5C8H11 |
A3B5C8D11 |
-151.37 |
5.23 |
-9.68 |
-0.81 |
0 |
|
|
49114 |
11528725 |
1 |
N3H7C15 |
A3B7C15 |
175.83 |
2.63 |
-9.81 |
-1.63 |
0 |
|
|
49115 |
11528726 |
1 |
NPO2C11H20 |
ABC2D11E20 |
-143.04 |
4.28 |
-9.59 |
0.6 |
0 |
|
|
49116 |
11528727 |
1 |
NSO2C11H19 |
ABC2D11E19 |
-110.47 |
3.13 |
-8.99 |
0.11 |
0 |
|
|
49117 |
11528728 |
1 |
ClN3H8C12 |
AB3C8D12 |
99.85 |
4.87 |
-10.19 |
-1.63 |
0 |
|
|
49118 |
11528729 |
1 |
O4H10C13 |
A4B10C13 |
-72.76 |
9.04 |
-9.2 |
-1.36 |
0 |
|
|
49119 |
11528730 |
1 |
OF3C12H13 |
AB3C12D13 |
-181.42 |
4.84 |
-10.06 |
-0.57 |
0 |
|
|
49120 |
11528731 |
1 |
O5C11H18 |
A5B11C18 |
-228.33 |
1.32 |
-10.3 |
-0.46 |
0 |
|
|
49121 |
11528732 |
1 |
O5C11H18 |
A5B11C18 |
-234.84 |
2.12 |
-10.32 |
0.02 |
0 |
|
|
49122 |
11528734 |
1 |
O3C14H14 |
A3B14C14 |
-70.11 |
2.26 |
-9.27 |
-0.93 |
0 |
|
|
49123 |
11528735 |
1 |
O3C14H14 |
A3B14C14 |
-94.43 |
5.42 |
-9.96 |
-0.89 |
0 |
|
|
49124 |
11528736 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-54.42 |
3.84 |
-9.01 |
-1.44 |
0 |
|
|
49125 |
11528737 |
1 |
N2O2C13H14 |
A2B2C13D14 |
9.76 |
7.54 |
-8.84 |
-1.04 |
0 |
|
|
49126 |
11528738 |
1 |
ON4C12H14 |
AB4C12D14 |
27.43 |
3.48 |
-8.71 |
-0.75 |
0 |
|
|
49127 |
11528739 |
2 |
O2C6H11 |
A2B6C11 |
-223.14 |
4.01 |
-10.04 |
0.75 |
0 |
|
|
49128 |
11528740 |
1 |
ON2C14H18 |
AB2C14D18 |
34.63 |
2.12 |
-8.06 |
-1.0 |
0 |
|
|
49129 |
11528741 |
1 |
OC16H22 |
AB16C22 |
2.89 |
6.99 |
-8.3 |
-0.71 |
0 |
|
|
49130 |
11528742 |
1 |
ClN2H11C13 |
AB2C11D13 |
98.28 |
2.49 |
-9.41 |
-0.59 |
0 |
|
|
49131 |
11528743 |
1 |
BrO3H7C8 |
AB3C7D8 |
-89.77 |
5.05 |
-9.63 |
-0.31 |
0 |
|
|
49132 |
11528745 |
1 |
NO3C13H13 |
AB3C13D13 |
-40.79 |
3.85 |
-8.76 |
-0.71 |
0 |
|
|
49133 |
11528746 |
1 |
NSF2O3C7H15 |
ABC2D3E7F15 |
-261.08 |
3.54 |
-9.86 |
-0.36 |
0 |
|
|
49134 |
11528747 |
1 |
NO2C14H17 |
AB2C14D17 |
-53.7 |
2.3 |
-9.46 |
0.08 |
0 |