List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420078 |
135111025 |
1 |
O2S2N3C21H27 |
A2B2C3D21E27 |
-22.55 |
3.2 |
-8.81 |
-0.89 |
0 |
|
|
420080 |
135111032 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-60.53 |
3.29 |
-9.75 |
-1.18 |
0 |
|
|
420081 |
135111049 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-159.95 |
5.6 |
-8.74 |
0.01 |
0 |
|
|
420082 |
135111054 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-137.66 |
8.35 |
-9.05 |
0.11 |
0 |
|
|
420083 |
135111055 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-77.22 |
3.65 |
-8.64 |
0.25 |
0 |
|
|
420084 |
135111062 |
1 |
ClFON4C17H22 |
ABCD4E17F22 |
-59.01 |
5.09 |
-8.83 |
-0.23 |
0 |
|
|
420085 |
135111071 |
1 |
ON4C16H28 |
AB4C16D28 |
-46.96 |
4.23 |
-8.66 |
0.88 |
0 |
|
|
420086 |
135111073 |
1 |
N7C14H23 |
A7B14C23 |
58.82 |
5.77 |
-8.72 |
0.19 |
0 |
|
|
420087 |
135111089 |
1 |
NNa2O4C14H17 |
AB2C4D14E17 |
-251.56 |
4.07 |
-7.58 |
0.31 |
0 |
|
|
420088 |
135111091 |
1 |
NO6C24H29 |
AB6C24D29 |
-201.66 |
6.29 |
-8.34 |
-0.11 |
0 |
|
|
420089 |
135111093 |
1 |
SO3N4C16H24 |
AB3C4D16E24 |
-112.6 |
10.55 |
-9.46 |
-0.69 |
0 |
|
|
420090 |
135111094 |
1 |
N2O4C21H32 |
A2B4C21D32 |
-161.64 |
4.42 |
-8.99 |
-0.32 |
0 |
|
|
420092 |
135111110 |
1 |
N5C19H25 |
A5B19C25 |
45.21 |
2.77 |
-8.58 |
-0.26 |
0 |
|
|
420093 |
135111111 |
1 |
FO2N4C19H23 |
AB2C4D19E23 |
-70.13 |
7.67 |
-9.05 |
-0.84 |
0 |
|
|
420095 |
135111116 |
1 |
N7O8C40H49 |
A7B8C40D49 |
-252.43 |
8.4 |
-8.23 |
-0.66 |
0 |
|
|
420096 |
135111117 |
1 |
O2N5C24H25 |
A2B5C24D25 |
2.64 |
2.86 |
-9.37 |
-0.97 |
0 |
|
|
420097 |
135111118 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-114.83 |
2.44 |
-8.98 |
-0.54 |
0 |
|
|
420098 |
135111120 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-110.61 |
7.48 |
-9.17 |
0.25 |
0 |
|
|
420099 |
135111138 |
1 |
NO3C14H19 |
AB3C14D19 |
-127.09 |
5.8 |
-9.22 |
0.13 |
0 |
|
|
420100 |
135111142 |
1 |
ClO3N4C18H19 |
AB3C4D18E19 |
-54.06 |
3.66 |
-9.48 |
-0.66 |
0 |
|
|
420101 |
135111147 |
1 |
O5N7C28H39 |
A5B7C28D39 |
-174.08 |
5.45 |
-9.4 |
-0.54 |
0 |
|
|
420102 |
135111156 |
1 |
SN4O4C17H22 |
AB4C4D17E22 |
-123.31 |
3.98 |
-9.5 |
-0.67 |
0 |
|
|
420103 |
135111157 |
1 |
ON5C23H25 |
AB5C23D25 |
27.38 |
7.68 |
-8.1 |
-0.7 |
0 |
|
|
420104 |
135111158 |
2 |
NOF2C9H11 |
ABC2D9E11 |
-291.18 |
6.02 |
-9.2 |
-0.82 |
0 |
|
|
420105 |
135111160 |
1 |
O4N5C25H33 |
A4B5C25D33 |
-103.68 |
3.5 |
-8.9 |
-0.31 |
0 |
|
|
420106 |
135111161 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-117.31 |
6.53 |
-9.54 |
-0.66 |
0 |
|
|
420107 |
135111162 |
1 |
ON5C20H29 |
AB5C20D29 |
2.88 |
1.58 |
-8.09 |
0.32 |
0 |
|
|
420108 |
135111170 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-80.4 |
5.35 |
-9.02 |
0.19 |
0 |
|
|
420109 |
135111193 |
1 |
ClON2C20H25 |
ABC2D20E25 |
-41.86 |
6.74 |
-8.1 |
-0.37 |
0 |
|
|
420110 |
135111196 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-84.42 |
4.48 |
-8.97 |
-0.21 |
0 |
|
|
420111 |
135111199 |
1 |
N2O2C23H32 |
A2B2C23D32 |
-61.07 |
1.67 |
-8.74 |
-0.54 |
0 |
|
|
420112 |
135111213 |
1 |
NO5C21H31 |
AB5C21D31 |
-224.75 |
4.05 |
-9.12 |
-0.12 |
0 |
|
|
420113 |
135111218 |
1 |
SO2N4C16H22 |
AB2C4D16E22 |
-11.14 |
3.71 |
-9.08 |
-0.65 |
0 |
|
|
420114 |
135111222 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-12.99 |
5.39 |
-8.46 |
-0.06 |
0 |
|
|
420115 |
135111237 |
1 |
SO3N10C34H46 |
AB3C10D34E46 |
2.25 |
5.28 |
-7.53 |
-1.13 |
0 |
|
|
420116 |
135111247 |
2 |
N3O3C14H20 |
A3B3C14D20 |
-260.5 |
5.39 |
-9.61 |
0.06 |
0 |
|
|
420117 |
135111250 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-142.52 |
6.21 |
-9.04 |
-0.69 |
0 |
|
|
420118 |
135111251 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-77.98 |
7.64 |
-9.34 |
-0.68 |
0 |
|
|
420119 |
135111252 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-121.44 |
4.96 |
-8.15 |
0.24 |
0 |
|
|
420120 |
135111253 |
1 |
FON3C17H20 |
ABC3D17E20 |
-39.44 |
2.21 |
-9.11 |
-0.89 |
0 |
|
|
420121 |
135111254 |
1 |
SN2O2F4H14C16 |
AB2C2D4E14F16 |
-231.1 |
5.84 |
-8.94 |
-0.89 |
0 |
|
|
420122 |
135111295 |
1 |
SN3O4C17H23 |
AB3C4D17E23 |
-136.3 |
3.68 |
-8.47 |
0.01 |
0 |
|
|
420123 |
135111297 |
1 |
N7O7C39H53 |
A7B7C39D53 |
-169.75 |
4.5 |
-8.68 |
-0.41 |
0 |
|
|
420124 |
135111298 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-60.35 |
5.87 |
-9.77 |
-0.34 |
0 |
|
|
420125 |
135111299 |
1 |
SF2N2O3C16H22 |
AB2C2D3E16F22 |
-199.58 |
2.6 |
-8.92 |
-1.16 |
0 |
|
|
420126 |
135111300 |
1 |
ON4C13H20 |
AB4C13D20 |
-13.41 |
2.66 |
-8.96 |
-0.07 |
0 |
|
|
420127 |
135111316 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-130.01 |
3.46 |
-8.87 |
0.42 |
0 |
|
|
420128 |
135111318 |
1 |
FN6O7C38H43 |
AB6C7D38E43 |
-228.17 |
3.78 |
-9.08 |
-1.86 |
0 |
|
|
420129 |
135111329 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-118.12 |
3.99 |
-8.11 |
-0.02 |
0 |
|
|
420130 |
135111332 |
1 |
FN2O4C16H19 |
AB2C4D16E19 |
-146.98 |
4.82 |
-9.32 |
-1.33 |
0 |
|
|
420131 |
135111333 |
1 |
N4O6H26C27 |
A4B6C26D27 |
-143.89 |
3.39 |
-9.16 |
-0.7 |
0 |
|
|
420132 |
135111355 |
1 |
ON4C26H32 |
AB4C26D32 |
23.31 |
2.72 |
-8.58 |
-0.6 |
0 |
|
|
420133 |
135111360 |
2 |
NOC10H12 |
ABC10D12 |
-54.15 |
3.97 |
-8.48 |
-0.11 |
0 |
|
|
420134 |
135111361 |
1 |
SN4O5C15H24 |
AB4C5D15E24 |
-209.01 |
8.42 |
-9.5 |
-0.14 |
0 |
|
|
420135 |
135111362 |
1 |
NSO3C13H23 |
ABC3D13E23 |
-124.43 |
5.09 |
-9.42 |
0.53 |
0 |
|
|
420136 |
135111366 |
1 |
OSN6C18H22 |
ABC6D18E22 |
25.97 |
6.96 |
-8.84 |
-0.88 |
0 |
|
|
420137 |
135111372 |
1 |
SN6O8C33H44 |
AB6C8D33E44 |
-260.37 |
8.22 |
-9.23 |
-1.49 |
0 |
|
|
420138 |
135111380 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-102.98 |
4.37 |
-8.43 |
0.41 |
0 |
|
|
420139 |
135111382 |
1 |
NO4C20H29 |
AB4C20D29 |
-182.58 |
6.79 |
-9.22 |
-0.37 |
0 |
|
|
420140 |
135111383 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-95.5 |
4.75 |
-9.68 |
-0.23 |
0 |
|
|
420141 |
135111386 |
1 |
ClFNO3C21H21 |
ABCD3E21F21 |
-142.84 |
6.0 |
-9.02 |
-0.66 |
0 |
|
|
420142 |
135111387 |
1 |
NO2C13H25 |
AB2C13D25 |
-117.68 |
0.82 |
-8.58 |
2.42 |
0 |
|
|
420143 |
135111389 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-100.76 |
3.51 |
-8.49 |
-0.13 |
0 |
|
|
420144 |
135111390 |
1 |
OF3N3C15H20 |
AB3C3D15E20 |
-174.39 |
3.47 |
-8.73 |
-0.47 |
0 |
|
|
420146 |
135111392 |
1 |
SN2O3C14H22 |
AB2C3D14E22 |
-123.38 |
4.5 |
-9.11 |
-0.54 |
0 |
|
|
420147 |
135111398 |
1 |
S2O5N9C37H53 |
A2B5C9D37E53 |
-166.67 |
5.05 |
-8.35 |
-0.72 |
0 |
|
|
420148 |
135111403 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-24.01 |
2.28 |
-8.58 |
-0.09 |
0 |
|
|
420150 |
135111424 |
1 |
SN7O7C37H47 |
AB7C7D37E47 |
-186.44 |
11.53 |
-8.16 |
-1.35 |
0 |
|
|
420151 |
135111427 |
2 |
ON2C9H13 |
AB2C9D13 |
-52.32 |
5.04 |
-8.96 |
0.17 |
0 |
|
|
420152 |
135111428 |
1 |
ON4C17H24 |
AB4C17D24 |
-6.06 |
2.5 |
-9.01 |
0.22 |
0 |
|
|
420153 |
135111429 |
1 |
SN3O5C18H23 |
AB3C5D18E23 |
-162.08 |
3.74 |
-9.2 |
-1.06 |
0 |
|
|
420154 |
135111430 |
1 |
ON2C24H32 |
AB2C24D32 |
-9.17 |
3.56 |
-8.16 |
0.22 |
0 |
|
|
420155 |
135111449 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-55.98 |
3.49 |
-9.33 |
-0.5 |
0 |
|
|
420156 |
135111463 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-149.72 |
2.28 |
-9.15 |
-0.42 |
0 |
|
|
420157 |
135111503 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-25.43 |
4.88 |
-8.88 |
-0.5 |
0 |
|
|
420158 |
135111507 |
2 |
ON2C9H14 |
AB2C9D14 |
-81.97 |
2.67 |
-9.42 |
0.01 |
0 |
|
|
420159 |
135111514 |
1 |
O2N5C19H27 |
A2B5C19D27 |
-65.32 |
8.61 |
-8.64 |
0.14 |
0 |
|
|
420160 |
135111515 |
1 |
ClO2N4C15H19 |
AB2C4D15E19 |
-42.92 |
3.9 |
-8.98 |
0.06 |
0 |
|
|
420161 |
135111517 |
3 |
NO2C11H11 |
AB2C11D11 |
-57.92 |
5.76 |
-8.14 |
-1.36 |
0 |
|
|
420162 |
135111518 |
2 |
NOC11H13 |
ABC11D13 |
-37.75 |
4.23 |
-8.68 |
-0.24 |
0 |
|
|
420163 |
135111519 |
2 |
ON2C10H15 |
AB2C10D15 |
-53.97 |
3.13 |
-8.32 |
0.53 |
0 |
|
|
420164 |
135111524 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-116.64 |
3.66 |
-8.71 |
-0.12 |
0 |
|
|
420165 |
135111536 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-65.91 |
5.51 |
-8.58 |
-0.68 |
0 |
|
|
420166 |
135111559 |
1 |
OF2N4C21H24 |
AB2C4D21E24 |
-90.21 |
2.65 |
-8.7 |
-0.38 |
0 |
|
|
420167 |
135111585 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
-13.28 |
1.37 |
-7.87 |
-0.43 |
0 |
|
|
420168 |
135111588 |
1 |
SO3N5C18H19 |
AB3C5D18E19 |
-10.09 |
6.23 |
-9.12 |
-1.08 |
0 |
|
|
420169 |
135111593 |
1 |
ClO3N4H21C22 |
AB3C4D21E22 |
-30.0 |
3.61 |
-9.26 |
-1.44 |
0 |
|
|
420170 |
135111597 |
1 |
ON4C16H18 |
AB4C16D18 |
45.74 |
5.35 |
-8.64 |
-0.36 |
0 |
|
|
420171 |
135111644 |
1 |
SN2O6C17H20 |
AB2C6D17E20 |
-214.03 |
7.15 |
-9.39 |
-1.18 |
0 |
|
|
420172 |
135111650 |
1 |
FN2O5H15C18 |
AB2C5D15E18 |
-185.01 |
7.24 |
-9.62 |
-1.48 |
0 |
|
|
420173 |
135111652 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-100.16 |
9.8 |
-9.39 |
-1.06 |
0 |
|
|
420174 |
135111655 |
1 |
N5O7C31H47 |
A5B7C31D47 |
-329.2 |
8.89 |
-9.28 |
-0.32 |
0 |
|
|
420175 |
135111668 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-112.86 |
4.29 |
-8.89 |
-0.09 |
0 |
|
|
420176 |
135111678 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-56.42 |
3.88 |
-8.72 |
-0.29 |
0 |
|
|
420177 |
135111681 |
1 |
FSO2N4C11H11 |
ABC2D4E11F11 |
-24.82 |
2.72 |
-8.99 |
-1.28 |
0 |
|
|
420178 |
135111682 |
1 |
ClSN2O5C15H21 |
ABC2D5E15F21 |
-194.02 |
6.21 |
-9.07 |
-0.42 |
0 |
|
|
420179 |
135111685 |
1 |
NO6C16H19 |
AB6C16D19 |
-200.77 |
5.39 |
-9.02 |
-0.36 |
0 |
|
|
420180 |
135111700 |
1 |
ON7C17H21 |
AB7C17D21 |
59.89 |
4.71 |
-9.23 |
-1.0 |
0 |
|
|
420181 |
135111702 |
1 |
O2N5C23H27 |
A2B5C23D27 |
-18.31 |
2.02 |
-9.23 |
-0.72 |
0 |
|
|
420182 |
135111707 |
1 |
N4O5C30H40 |
A4B5C30D40 |
-185.44 |
8.28 |
-8.36 |
0.05 |
0 |