List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
361114 |
127302030 |
2 |
ON2C9H17 |
AB2C9D17 |
-118.16 |
4.61 |
-8.68 |
1.12 |
0 |
|
|
361115 |
127302031 |
1 |
SO2N4C15H24 |
AB2C4D15E24 |
-61.83 |
2.69 |
-8.43 |
-0.77 |
0 |
|
|
361116 |
127302032 |
1 |
N4O4C17H24 |
A4B4C17D24 |
-125.22 |
3.05 |
-8.25 |
-0.88 |
0 |
|
|
361117 |
127302033 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-60.17 |
2.18 |
-8.54 |
-0.18 |
0 |
|
|
361118 |
127302034 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-74.55 |
8.64 |
-8.7 |
0.03 |
0 |
|
|
361119 |
127302035 |
2 |
ON2C11H17 |
AB2C11D17 |
-84.95 |
6.75 |
-8.56 |
0.38 |
0 |
|
|
361120 |
127302036 |
1 |
ON5C18H25 |
AB5C18D25 |
24.0 |
7.53 |
-8.43 |
-0.64 |
0 |
|
|
361121 |
127302037 |
1 |
SO2N5C16H27 |
AB2C5D16E27 |
-65.18 |
6.73 |
-8.59 |
-0.5 |
0 |
|
|
361122 |
127302038 |
2 |
ON2C9H13 |
AB2C9D13 |
-48.41 |
4.82 |
-8.37 |
-0.36 |
0 |
|
|
361123 |
127302039 |
1 |
SO2N4C14H22 |
AB2C4D14E22 |
-55.08 |
2.81 |
-8.23 |
-0.82 |
0 |
|
|
361124 |
127302040 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-119.78 |
2.63 |
-8.23 |
0.75 |
0 |
|
|
361125 |
127302041 |
1 |
ON4C18H26 |
AB4C18D26 |
-18.69 |
6.28 |
-8.36 |
0.0 |
0 |
|
|
361126 |
127302042 |
2 |
ON3C8H11 |
AB3C8D11 |
-10.63 |
6.22 |
-8.44 |
-1.36 |
0 |
|
|
361127 |
127302043 |
2 |
FON2C10H14 |
ABC2D10E14 |
-166.32 |
6.45 |
-8.57 |
-0.6 |
0 |
|
|
361128 |
127302044 |
2 |
ON2C6H10 |
AB2C6D10 |
-21.83 |
3.26 |
-8.67 |
-0.79 |
0 |
|
|
361129 |
127302045 |
1 |
OSN6C15H22 |
ABC6D15E22 |
35.89 |
5.89 |
-8.35 |
-0.9 |
0 |
|
|
361130 |
127302046 |
1 |
ON5C16H23 |
AB5C16D23 |
10.26 |
8.06 |
-8.73 |
-0.35 |
0 |
|
|
361131 |
127302047 |
1 |
ClON6C16H21 |
ABC6D16E21 |
40.95 |
3.47 |
-8.33 |
-1.06 |
0 |
|
|
361132 |
127302076 |
2 |
ON3C10H16 |
AB3C10D16 |
-38.86 |
4.54 |
-8.29 |
-0.06 |
0 |
|
|
361133 |
127302077 |
1 |
SO3N4C13H14 |
AB3C4D13E14 |
-60.04 |
6.32 |
-8.99 |
-0.73 |
0 |
|
|
361134 |
127302078 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-70.17 |
7.15 |
-9.12 |
-0.27 |
0 |
|
|
361135 |
127302079 |
1 |
SO2N3C22H27 |
AB2C3D22E27 |
-63.28 |
3.58 |
-8.77 |
-0.38 |
0 |
|
|
361136 |
127302080 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-43.91 |
2.7 |
-8.89 |
-0.88 |
0 |
|
|
361137 |
127302081 |
1 |
ClN2O4C19H25 |
AB2C4D19E25 |
-147.67 |
1.91 |
-8.85 |
-0.8 |
0 |
|
|
361138 |
127302082 |
1 |
O3N6C19H28 |
A3B6C19D28 |
-83.36 |
2.73 |
-8.83 |
-0.81 |
0 |
|
|
361139 |
127302083 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-35.64 |
2.69 |
-8.92 |
-0.34 |
0 |
|
|
361140 |
127302084 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-111.67 |
4.32 |
-8.83 |
-0.92 |
0 |
|
|
361141 |
127302085 |
1 |
O2N3C24H31 |
A2B3C24D31 |
-57.68 |
4.58 |
-8.94 |
-0.72 |
0 |
|
|
361142 |
127302086 |
1 |
O2N3C24H33 |
A2B3C24D33 |
-81.83 |
4.59 |
-8.36 |
-0.06 |
0 |
|
|
361143 |
127302087 |
1 |
N2O3C23H32 |
A2B3C23D32 |
-122.0 |
4.9 |
-8.77 |
-0.16 |
0 |
|
|
361144 |
127302088 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-40.64 |
2.71 |
-8.58 |
-1.09 |
0 |
|
|
361145 |
127302089 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-103.98 |
2.73 |
-8.9 |
-0.84 |
0 |
|
|
361146 |
127302090 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-161.48 |
5.44 |
-8.56 |
-0.11 |
0 |
|
|
361147 |
127302091 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-112.99 |
4.41 |
-8.82 |
-0.6 |
0 |
|
|
361148 |
127302092 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-93.86 |
3.81 |
-8.71 |
-0.7 |
0 |
|
|
361149 |
127302093 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-116.09 |
4.57 |
-8.58 |
-0.99 |
0 |
|
|
361150 |
127302094 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-83.24 |
6.26 |
-8.39 |
-0.03 |
0 |
|
|
361151 |
127302095 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-69.97 |
5.41 |
-8.63 |
-1.42 |
0 |
|
|
361152 |
127302096 |
1 |
FO2N4C21H27 |
AB2C4D21E27 |
-86.73 |
4.25 |
-8.82 |
-0.81 |
0 |
|
|
361153 |
127302097 |
1 |
O2S2N3C19H25 |
A2B2C3D19E25 |
-34.28 |
2.4 |
-8.57 |
-1.32 |
0 |
|
|
361154 |
127302098 |
1 |
SO2N5C19H27 |
AB2C5D19E27 |
-25.23 |
7.3 |
-8.75 |
-0.92 |
0 |
|
|
361155 |
127302099 |
2 |
ON2C10H14 |
AB2C10D14 |
-49.15 |
6.1 |
-8.8 |
-0.64 |
0 |
|
|
361156 |
127302100 |
1 |
ClN2O3C21H27 |
AB2C3D21E27 |
-110.68 |
2.81 |
-8.81 |
-0.92 |
0 |
|
|
361157 |
127302101 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-20.13 |
4.43 |
-8.76 |
-1.14 |
0 |
|
|
361158 |
127302102 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-170.33 |
5.35 |
-8.72 |
0.77 |
0 |
|
|
361159 |
127302103 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-35.68 |
5.23 |
-8.63 |
-0.72 |
0 |
|
|
361160 |
127302104 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-47.71 |
3.68 |
-8.69 |
-1.25 |
0 |
|
|
361161 |
127302105 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-41.85 |
3.98 |
-8.64 |
-1.42 |
0 |
|
|
361162 |
127302106 |
1 |
ClN2O3C21H27 |
AB2C3D21E27 |
-113.06 |
4.06 |
-8.88 |
-0.98 |
0 |
|
|
361163 |
127302107 |
1 |
SN2O4C16H28 |
AB2C4D16E28 |
-196.45 |
5.03 |
-8.88 |
0.61 |
0 |
|
|
361164 |
127302108 |
1 |
ClN2O3C20H25 |
AB2C3D20E25 |
-100.03 |
2.35 |
-8.85 |
-1.09 |
0 |
|
|
361165 |
127302109 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-74.06 |
6.42 |
-8.91 |
-0.86 |
0 |
|
|
361166 |
127302110 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-108.54 |
3.52 |
-8.5 |
-0.93 |
0 |
|
|
361167 |
127302111 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-70.71 |
6.18 |
-8.76 |
-0.87 |
0 |
|
|
361168 |
127302112 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-41.81 |
6.49 |
-8.64 |
-0.81 |
0 |
|
|
361169 |
127302113 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-103.22 |
8.67 |
-8.99 |
-1.06 |
0 |
|
|
361170 |
127302114 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-76.74 |
5.66 |
-8.53 |
-0.97 |
0 |
|
|
361171 |
127302115 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-41.44 |
6.98 |
-9.1 |
-0.91 |
0 |
|
|
361172 |
127302116 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-76.84 |
6.64 |
-8.49 |
-0.99 |
0 |
|
|
361173 |
127302117 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-41.62 |
6.14 |
-8.92 |
-1.08 |
0 |
|
|
361174 |
127302118 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-67.28 |
4.22 |
-8.6 |
-0.9 |
0 |
|
|
361175 |
127302119 |
2 |
ON2C9H12 |
AB2C9D12 |
-36.72 |
5.91 |
-8.65 |
-0.91 |
0 |
|
|
361176 |
127302120 |
2 |
ON2C9H12 |
AB2C9D12 |
-38.01 |
6.01 |
-8.61 |
-0.92 |
0 |
|
|
361177 |
127302121 |
1 |
O2N5C20H21 |
A2B5C20D21 |
20.23 |
10.05 |
-8.76 |
-1.08 |
0 |
|
|
361178 |
127302122 |
1 |
FO2N4C22H23 |
AB2C4D22E23 |
-37.93 |
7.21 |
-8.93 |
-0.98 |
0 |
|
|
361179 |
127302123 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-68.63 |
5.73 |
-8.3 |
-0.95 |
0 |
|
|
361180 |
127302124 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
13.27 |
8.55 |
-8.46 |
-1.35 |
0 |
|
|
361181 |
127302125 |
1 |
O2N6C19H22 |
A2B6C19D22 |
10.38 |
6.71 |
-9.22 |
-1.02 |
0 |
|
|
361182 |
127302126 |
1 |
SO2N5C19H21 |
AB2C5D19E21 |
14.84 |
6.9 |
-8.76 |
-0.94 |
0 |
|
|
361183 |
127302127 |
2 |
ON3C9H10 |
AB3C9D10 |
20.35 |
4.63 |
-9.11 |
-0.97 |
0 |
|
|
361184 |
127302128 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-32.63 |
5.92 |
-8.69 |
-0.91 |
0 |
|
|
361185 |
127302129 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
0.74 |
9.24 |
-8.37 |
-1.45 |
0 |
|
|
361186 |
127302130 |
2 |
ON2C9H11 |
AB2C9D11 |
-5.5 |
6.87 |
-8.3 |
-1.07 |
0 |
|
|
361187 |
127302131 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
4.57 |
7.0 |
-8.41 |
-1.29 |
0 |
|
|
361188 |
127302132 |
4 |
NOC5H6 |
ABC5D6 |
-110.37 |
8.72 |
-9.19 |
-1.08 |
0 |