List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
445087 |
135264517 |
1 |
N5H31C41 |
A5B31C41 |
233.8 |
1.12 |
-7.75 |
-1.25 |
0 |
|
|
445088 |
135264518 |
1 |
N5H33C47 |
A5B33C47 |
240.7 |
1.2 |
-7.74 |
-1.16 |
0 |
|
|
445089 |
135264519 |
1 |
SN4O4C34H40 |
AB4C4D34E40 |
-111.3 |
7.74 |
-9.06 |
-0.96 |
0 |
|
|
445090 |
135264521 |
2 |
N2O3C21H26 |
A2B3C21D26 |
-194.58 |
10.15 |
-8.82 |
-0.99 |
0 |
|
|
445091 |
135264522 |
4 |
NOC8H10 |
ABC8D10 |
-113.54 |
0.19 |
-8.71 |
-0.84 |
0 |
|
|
445092 |
135264523 |
1 |
N3H21C31 |
A3B21C31 |
157.44 |
3.5 |
-7.99 |
-0.72 |
0 |
|
|
445093 |
135264524 |
1 |
SN4O4C36H42 |
AB4C4D36E42 |
-95.63 |
5.3 |
-9.29 |
-0.94 |
0 |
|
|
445094 |
135264525 |
1 |
N3O4C30H35 |
A3B4C30D35 |
-100.17 |
3.35 |
-8.76 |
-0.9 |
0 |
|
|
445095 |
135264526 |
1 |
FSN4O4C40H43 |
ABC4D4E40F43 |
-143.93 |
2.78 |
-9.01 |
-0.91 |
0 |
|
|
445096 |
135264529 |
1 |
BrN2H25C38 |
AB2C25D38 |
175.15 |
4.97 |
-8.08 |
-0.52 |
0 |
|
|
445097 |
135264530 |
1 |
N4H32C49 |
A4B32C49 |
241.06 |
5.19 |
-7.89 |
-0.63 |
0 |
|
|
445098 |
135264531 |
1 |
N5H29C42 |
A5B29C42 |
225.48 |
2.74 |
-7.94 |
-1.14 |
0 |
|
|
445099 |
135264533 |
1 |
N5H29C42 |
A5B29C42 |
228.91 |
3.93 |
-7.91 |
-1.22 |
0 |
|
|
445100 |
135264534 |
1 |
N5H33C48 |
A5B33C48 |
252.05 |
3.7 |
-7.93 |
-1.24 |
0 |
|
|
445101 |
135264535 |
1 |
ClNOSH16C18 |
ABCDE16F18 |
4.72 |
1.36 |
-8.59 |
-0.31 |
0 |
|
|
445102 |
135264536 |
1 |
SO4N5C43H61 |
AB4C5D43E61 |
-168.67 |
1.94 |
-8.31 |
-0.74 |
0 |
|
|
445103 |
135264540 |
1 |
SO4N5C40H49 |
AB4C5D40E49 |
-108.84 |
6.79 |
-8.66 |
-0.75 |
0 |
|
|
445104 |
135264541 |
1 |
SN5O5C37H39 |
AB5C5D37E39 |
-101.76 |
8.39 |
-9.17 |
-1.2 |
0 |
|
|
445105 |
135264542 |
1 |
SN4O4C36H42 |
AB4C4D36E42 |
-120.77 |
3.92 |
-9.03 |
-0.94 |
0 |
|
|
445106 |
135264546 |
1 |
FSN4O4C37H37 |
ABC4D4E37F37 |
-125.97 |
2.64 |
-9.16 |
-1.02 |
0 |
|
|
445107 |
135264547 |
1 |
FSN2O3C24H27 |
ABC2D3E24F27 |
-114.76 |
6.95 |
-8.89 |
-1.45 |
0 |
|
|
445108 |
135264548 |
1 |
SN4O5C40H48 |
AB4C5D40E48 |
-139.55 |
8.26 |
-8.68 |
-0.96 |
0 |
|
|
445109 |
135264549 |
1 |
FSN3O4C28H32 |
ABC3D4E28F32 |
-139.51 |
4.79 |
-8.79 |
-1.34 |
0 |
|
|
445110 |
135264550 |
4 |
NOC10H12 |
ABC10D12 |
-97.33 |
7.27 |
-8.62 |
-0.75 |
0 |
|
|
445111 |
135264551 |
1 |
S2O4N5C41H61 |
A2B4C5D41E61 |
-156.71 |
3.84 |
-7.87 |
-0.78 |
0 |
|
|
445112 |
135264552 |
1 |
SO3N6C40H58 |
AB3C6D40E58 |
-110.27 |
6.02 |
-8.06 |
-0.69 |
0 |
|
|
445113 |
135264554 |
1 |
FSN4O4C44H47 |
ABC4D4E44F47 |
-118.43 |
10.32 |
-9.18 |
-1.09 |
0 |
|
|
445114 |
135264555 |
1 |
SO5C9H12 |
AB5C9D12 |
-167.19 |
2.77 |
-9.36 |
-0.58 |
0 |
|
|
445115 |
135264557 |
3 |
O2C3H4 |
A2B3C4 |
-207.4 |
3.51 |
-10.35 |
-0.58 |
0 |
|
|
445116 |
135264562 |
1 |
O3N4C41H46 |
A3B4C41D46 |
-20.19 |
4.75 |
-8.91 |
-0.83 |
0 |
|
|
445117 |
135264568 |
1 |
O4N5C31H41 |
A4B5C31D41 |
-126.49 |
6.88 |
-8.37 |
-0.66 |
0 |
|
|
445118 |
135264569 |
2 |
SN2O2C18H19 |
AB2C2D18E19 |
-81.05 |
3.07 |
-8.95 |
-1.16 |
0 |
|
|
445119 |
135264601 |
1 |
ON4C33H42 |
AB4C33D42 |
107.6 |
8.05 |
-8.72 |
-0.68 |
0 |
|
|
445120 |
135264647 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-135.34 |
6.15 |
-9.25 |
-0.47 |
0 |
|
|
445121 |
135264648 |
1 |
O4N5C22H31 |
A4B5C22D31 |
-159.85 |
5.72 |
-9.53 |
-0.31 |
0 |
|
|
445122 |
135264650 |
1 |
N4O4C25H26 |
A4B4C25D26 |
-132.89 |
2.06 |
-9.36 |
-0.97 |
0 |
|
|
445123 |
135264651 |
1 |
O4N5C21H21 |
A4B5C21D21 |
-92.51 |
3.12 |
-9.32 |
-0.8 |
0 |
|
|
445124 |
135264652 |
1 |
ClO4N5C23H24 |
AB4C5D23E24 |
-128.56 |
7.05 |
-8.79 |
-0.53 |
0 |
|
|
445125 |
135264653 |
1 |
ClO3N4C22H23 |
AB3C4D22E23 |
-98.16 |
5.36 |
-8.91 |
-0.42 |
0 |
|
|
445126 |
135264654 |
1 |
Cl2O3N4H20C21 |
A2B3C4D20E21 |
-101.23 |
4.19 |
-9.25 |
-0.63 |
0 |
|
|
445127 |
135264655 |
1 |
NO3C27H33 |
AB3C27D33 |
-84.33 |
3.03 |
-9.22 |
-0.48 |
0 |
|
|
445128 |
135264656 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-102.29 |
2.44 |
-9.24 |
-0.5 |
0 |
|
|
445129 |
135264657 |
1 |
O4N5C23H25 |
A4B5C23D25 |
-114.88 |
4.96 |
-8.77 |
-0.65 |
0 |
|
|
445130 |
135264659 |
1 |
ClO4N5C22H22 |
AB4C5D22E22 |
-118.51 |
5.05 |
-8.96 |
-0.5 |
0 |
|
|
445131 |
135264660 |
1 |
SN3O5C23H25 |
AB3C5D23E25 |
-172.59 |
10.89 |
-9.49 |
-0.79 |
0 |
|
|
445132 |
135264661 |
1 |
SF2O4N5H21C24 |
AB2C4D5E21F24 |
-180.6 |
2.52 |
-9.26 |
-0.97 |
0 |
|
|
445133 |
135264663 |
1 |
NOC10H17 |
ABC10D17 |
-22.63 |
3.19 |
-9.95 |
0.32 |
0 |
|
|
445134 |
135264664 |
1 |
F3N4O4H21C23 |
A3B4C4D21E23 |
-267.26 |
4.95 |
-9.78 |
-1.05 |
0 |
|
|
445135 |
135264665 |
1 |
F3N4O5H21C23 |
A3B4C5D21E23 |
-309.68 |
2.87 |
-9.72 |
-0.82 |
0 |
|
|
445136 |
135264666 |
1 |
ClFO3N4H20C21 |
ABC3D4E20F21 |
-135.93 |
3.63 |
-9.14 |
-0.55 |
0 |
|
|
445137 |
135264667 |
1 |
N3O4C27H31 |
A3B4C27D31 |
-128.48 |
9.86 |
-8.91 |
-0.72 |
0 |
|
|
445138 |
135264668 |
1 |
N3O3C29H37 |
A3B3C29D37 |
-101.5 |
6.41 |
-8.84 |
-0.14 |
0 |
|
|
445139 |
135264670 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-112.84 |
4.94 |
-9.07 |
-0.34 |
0 |
|
|
445140 |
135264671 |
1 |
Cl3O3N4H19C21 |
A3B3C4D19E21 |
-103.19 |
1.61 |
-9.35 |
-0.9 |
0 |
|
|
445141 |
135264673 |
1 |
ClSO2N4C22H23 |
ABC2D4E22F23 |
-43.42 |
6.59 |
-8.6 |
-0.5 |
0 |
|
|
445142 |
135264674 |
2 |
ClN2O2H10C11 |
AB2C2D10E11 |
-121.42 |
6.57 |
-9.61 |
-0.95 |
0 |
|
|
445143 |
135264675 |
2 |
N2O3C11H13 |
A2B3C11D13 |
-243.52 |
6.14 |
-9.85 |
-0.84 |
0 |
|
|
445144 |
135264676 |
1 |
SN4O5C22H22 |
AB4C5D22E22 |
-161.89 |
6.41 |
-8.94 |
-1.07 |
0 |
|
|
445145 |
135264677 |
1 |
SN3O5C24H25 |
AB3C5D24E25 |
-178.39 |
4.66 |
-8.76 |
-1.08 |
0 |
|
|
445146 |
135264678 |
1 |
N2O4C23H24 |
A2B4C23D24 |
-133.0 |
6.51 |
-8.99 |
-0.29 |
0 |
|
|
445147 |
135264681 |
1 |
Cl2O3N4H20C21 |
A2B3C4D20E21 |
-100.95 |
2.13 |
-9.36 |
-0.58 |
0 |
|
|
445148 |
135264682 |
1 |
NOPC5H12 |
ABCD5E12 |
-66.35 |
2.93 |
-9.52 |
0.94 |
0 |
|
|
445149 |
135264683 |
1 |
ClN4O4C23H23 |
AB4C4D23E23 |
-145.39 |
2.3 |
-8.87 |
-1.08 |
0 |
|
|
445150 |
135264684 |
1 |
Cl2O3N4H20C21 |
A2B3C4D20E21 |
-100.67 |
3.86 |
-9.13 |
-0.67 |
0 |
|
|
445151 |
135264685 |
1 |
N5O6C28H35 |
A5B6C28D35 |
-203.57 |
4.55 |
-9.08 |
-0.84 |
0 |
|
|
445152 |
135264686 |
1 |
ClO3N4C22H23 |
AB3C4D22E23 |
-100.73 |
1.84 |
-8.84 |
-0.31 |
0 |
|
|
445153 |
135264687 |
1 |
N3O5H19C21 |
A3B5C19D21 |
-126.83 |
3.79 |
-9.25 |
-0.84 |
0 |
|
|
445154 |
135264688 |
1 |
Cl2N2O2H14C15 |
A2B2C2D14E15 |
-41.14 |
6.07 |
-8.53 |
-1.03 |
0 |
|
|
445155 |
135264689 |
2 |
N2C5H8 |
A2B5C8 |
66.18 |
1.68 |
-10.04 |
-1.53 |
0 |
|
|
445156 |
135264691 |
1 |
PN2O3C18H19 |
AB2C3D18E19 |
-50.74 |
4.08 |
-9.03 |
-0.87 |
0 |
|
|
445157 |
135264694 |
1 |
OC5N5H13 |
AB5C5D13 |
18.78 |
3.53 |
-9.64 |
-0.09 |
0 |
|
|
445158 |
135264695 |
1 |
N5O5C14H31 |
A5B5C14D31 |
-88.55 |
3.29 |
-9.44 |
-0.24 |
0 |
|
|
445159 |
135264696 |
2 |
NC8H9 |
AB8C9 |
64.74 |
2.7 |
-8.34 |
-0.08 |
0 |
|
|
445160 |
135264697 |
1 |
NO2C8H17 |
AB2C8D17 |
-127.01 |
2.64 |
-10.55 |
0.93 |
0 |
|
|
445161 |
135264707 |
2 |
NOC8H9 |
ABC8D9 |
-27.98 |
4.96 |
-8.24 |
-0.53 |
0 |
|
|
445162 |
135264731 |
1 |
N11H71C118 |
A11B71C118 |
638.23 |
8.6 |
-8.07 |
-1.3 |
0 |
|
|
445163 |
135264738 |
2 |
N3H26C43 |
A3B26C43 |
437.23 |
6.15 |
-8.24 |
-0.97 |
0 |
|
|
445164 |
135264744 |
1 |
ON6H34C55 |
AB6C34D55 |
306.2 |
2.23 |
-8.05 |
-1.39 |
0 |
|
|
445165 |
135264753 |
1 |
NF2O4C19H27 |
AB2C4D19E27 |
-266.58 |
2.0 |
-9.19 |
0.27 |
0 |
|
|
445166 |
135264761 |
1 |
O3C12H20 |
A3B12C20 |
-145.36 |
6.19 |
-10.46 |
-0.86 |
0 |
|
|
445167 |
135264768 |
1 |
N3O5C21H33 |
A3B5C21D33 |
-246.75 |
4.23 |
-9.0 |
-0.21 |
0 |
|
|
445168 |
135264769 |
2 |
ON3H12C13 |
AB3C12D13 |
94.22 |
2.06 |
-8.58 |
-1.02 |
0 |
|
|
445169 |
135264772 |
1 |
ON4H8C11 |
AB4C8D11 |
58.06 |
8.06 |
-8.59 |
-1.16 |
0 |
|
|
445170 |
135264773 |
1 |
ON5C15H15 |
AB5C15D15 |
100.5 |
3.27 |
-8.91 |
-1.28 |
0 |
|
|
445171 |
135264774 |
1 |
INSO2C7H8 |
ABCD2E7F8 |
-44.66 |
0.74 |
-9.15 |
-2.51 |
0 |
|
|
445172 |
135264775 |
1 |
N4H22C27 |
A4B22C27 |
195.31 |
0.71 |
-9.14 |
-1.13 |
0 |
|
|
445173 |
135264776 |
1 |
INSO2C10H10 |
ABCD2E10F10 |
-22.77 |
1.91 |
-9.26 |
-2.59 |
0 |
|
|
445174 |
135264778 |
1 |
O4N9H25C30 |
A4B9C25D30 |
77.89 |
9.63 |
-9.06 |
-1.43 |
0 |
|
|
445175 |
135264779 |
1 |
N4C17H18 |
A4B17C18 |
104.5 |
3.77 |
-8.79 |
-0.69 |
0 |
|
|
445176 |
135264781 |
1 |
N2H18C21 |
A2B18C21 |
112.76 |
1.32 |
-9.3 |
-0.7 |
0 |
|
|
445177 |
135264784 |
1 |
N3C23H31 |
A3B23C31 |
28.27 |
1.46 |
-8.11 |
-0.18 |
0 |
|
|
445178 |
135264785 |
1 |
OSC100H128 |
ABC100D128 |
-28.8 |
3.34 |
-8.02 |
-0.74 |
0 |
|
|
445179 |
135264786 |
1 |
OF2N6C16H18 |
AB2C6D16E18 |
-11.96 |
6.35 |
-9.24 |
-1.46 |
0 |
|
|
445180 |
135264787 |
1 |
N5H35C54 |
A5B35C54 |
279.24 |
3.38 |
-8.12 |
-1.1 |
0 |
|
|
445181 |
135264788 |
1 |
SN3O3C23H23 |
AB3C3D23E23 |
-37.58 |
4.41 |
-8.56 |
-0.98 |
0 |
|
|
445182 |
135264790 |
1 |
ON7C23H23 |
AB7C23D23 |
150.65 |
5.79 |
-8.88 |
-1.42 |
0 |
|
|
445183 |
135264791 |
1 |
O2N8C23H24 |
A2B8C23D24 |
69.11 |
5.59 |
-9.07 |
-1.4 |
0 |
|
|
445184 |
135264792 |
1 |
N3O5H21C23 |
A3B5C21D23 |
-122.16 |
7.69 |
-9.21 |
-1.2 |
0 |
|
|
445185 |
135264794 |
1 |
ON4C10H14 |
AB4C10D14 |
33.86 |
3.08 |
-9.24 |
-0.14 |
0 |
|
|
445186 |
135264795 |
1 |
O2N4C13H16 |
A2B4C13D16 |
-7.85 |
4.78 |
-9.12 |
-1.09 |
0 |