List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
375093 |
131465923 |
1 |
NO2C12H17 |
AB2C12D17 |
-69.49 |
3.34 |
-8.72 |
0.4 |
0 |
|
|
375094 |
131465924 |
1 |
NO2C12H17 |
AB2C12D17 |
-69.46 |
3.91 |
-8.58 |
0.42 |
0 |
|
|
375095 |
131465925 |
1 |
NO2C12H17 |
AB2C12D17 |
-73.75 |
1.25 |
-8.8 |
0.35 |
0 |
|
|
375096 |
131465926 |
1 |
FN3C11H12 |
AB3C11D12 |
3.87 |
2.66 |
-8.29 |
-0.4 |
0 |
|
|
375097 |
131465929 |
2 |
NOC5H6 |
ABC5D6 |
-54.04 |
2.28 |
-9.49 |
-0.29 |
0 |
|
|
375098 |
131465931 |
2 |
NOC5H6 |
ABC5D6 |
-10.06 |
3.21 |
-10.8 |
-0.99 |
0 |
|
|
375099 |
131465932 |
2 |
NOC5H6 |
ABC5D6 |
-54.6 |
7.69 |
-9.51 |
-0.26 |
0 |
|
|
375100 |
131465934 |
2 |
NOC5H6 |
ABC5D6 |
-54.8 |
6.61 |
-9.52 |
-0.26 |
0 |
|
|
375101 |
131465939 |
2 |
NOC5H6 |
ABC5D6 |
-50.06 |
4.21 |
-9.43 |
-0.33 |
0 |
|
|
375102 |
131465955 |
1 |
ISO3H9C11 |
ABC3D9E11 |
-63.92 |
3.26 |
-8.9 |
-1.34 |
0 |
|
|
375103 |
131465962 |
1 |
ISO3H7C10 |
ABC3D7E10 |
-63.61 |
6.04 |
-9.16 |
-1.45 |
0 |
|
|
375104 |
131465966 |
1 |
ISO3H9C11 |
ABC3D9E11 |
-65.25 |
2.48 |
-8.46 |
-0.94 |
0 |
|
|
375105 |
131465981 |
1 |
SN2O3C6H8 |
AB2C3D6E8 |
-86.27 |
3.87 |
-10.0 |
-1.02 |
0 |
|
|
375106 |
131466011 |
1 |
ISO3H7C10 |
ABC3D7E10 |
-77.51 |
3.32 |
-9.14 |
-1.32 |
0 |
|
|
375107 |
131466015 |
1 |
ISO3H7C10 |
ABC3D7E10 |
-80.27 |
4.31 |
-8.98 |
-1.37 |
0 |
|
|
375108 |
131466026 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-38.86 |
2.24 |
-8.98 |
-0.17 |
0 |
|
|
375109 |
131466121 |
1 |
BrSN2O2H5C10 |
ABC2D2E5F10 |
65.73 |
4.34 |
-9.52 |
-2.05 |
0 |
|
|
375110 |
131472492 |
1 |
SO3C10H10 |
AB3C10D10 |
-111.52 |
1.43 |
-8.44 |
-0.17 |
0 |
|
|
375111 |
131472496 |
1 |
NO3C9H9 |
AB3C9D9 |
-67.59 |
4.42 |
-9.22 |
-0.39 |
0 |
|
|
375112 |
131472498 |
1 |
NO3C9H9 |
AB3C9D9 |
-72.62 |
6.34 |
-9.05 |
-1.07 |
0 |
|
|
375113 |
131472500 |
1 |
SO3C12H12 |
AB3C12D12 |
-105.11 |
6.27 |
-9.2 |
-1.04 |
0 |
|
|
375114 |
131472532 |
1 |
ON3C11H17 |
AB3C11D17 |
-15.67 |
2.89 |
-9.24 |
-0.47 |
0 |
|
|
375115 |
131472544 |
1 |
ClFSO3C12H16 |
ABCD3E12F16 |
-179.75 |
10.19 |
-10.28 |
-1.1 |
0 |
|
|
375116 |
131472550 |
1 |
ClFSN2O4H6C9 |
ABCD2E4F6G9 |
-113.0 |
9.35 |
-10.54 |
-1.34 |
0 |
|
|
375117 |
131472553 |
1 |
BrClSO4C11H12 |
ABCD4E11F12 |
-141.53 |
7.88 |
-10.16 |
-1.28 |
0 |
|
|
375118 |
131472556 |
1 |
ClN2O2F3C8H8 |
AB2C2D3E8F8 |
-230.05 |
3.89 |
-9.45 |
-1.07 |
0 |
|
|
375119 |
131472558 |
1 |
ClN2O2F3C8H8 |
AB2C2D3E8F8 |
-232.99 |
2.62 |
-9.46 |
-1.14 |
0 |
|
|
375120 |
131472561 |
2 |
NSC4H4 |
ABC4D4 |
59.64 |
2.56 |
-8.6 |
-0.41 |
0 |
|
|
375121 |
131472563 |
2 |
NSC4H4 |
ABC4D4 |
59.43 |
2.3 |
-8.39 |
-0.64 |
0 |
|
|
375122 |
131472564 |
2 |
NSC4H4 |
ABC4D4 |
60.08 |
1.52 |
-8.66 |
-0.51 |
0 |
|
|
375123 |
131472565 |
2 |
NSC4H4 |
ABC4D4 |
50.37 |
1.55 |
-8.31 |
-0.69 |
0 |
|
|
375124 |
131472566 |
2 |
NSC4H4 |
ABC4D4 |
50.38 |
1.99 |
-8.34 |
-0.77 |
0 |
|
|
375125 |
131472567 |
2 |
NSC4H4 |
ABC4D4 |
56.56 |
4.06 |
-8.43 |
-0.73 |
0 |
|
|
375126 |
131472569 |
1 |
BrION2F3H5C7 |
ABCD2E3F5G7 |
-155.25 |
1.68 |
-9.16 |
-1.55 |
0 |
|
|
375127 |
131472570 |
1 |
BrION2F3H5C7 |
ABCD2E3F5G7 |
-157.64 |
4.37 |
-9.03 |
-1.47 |
0 |
|
|
375128 |
131472576 |
1 |
BrION2F3H5C7 |
ABCD2E3F5G7 |
-153.91 |
4.59 |
-9.42 |
-1.53 |
0 |
|
|
375129 |
131472579 |
1 |
FSN2C11H11 |
ABC2D11E11 |
2.05 |
2.03 |
-8.71 |
-0.31 |
0 |
|
|
375130 |
131472583 |
1 |
FON2C12H15 |
ABC2D12E15 |
-65.09 |
3.31 |
-8.53 |
-0.25 |
0 |
|
|
375131 |
131472596 |
1 |
FON2C12H15 |
ABC2D12E15 |
-59.39 |
1.04 |
-9.43 |
-0.78 |
0 |
|
|
375132 |
131472603 |
1 |
N5C10H11 |
A5B10C11 |
91.62 |
10.03 |
-9.2 |
-1.28 |
0 |
|
|
375133 |
131472613 |
1 |
SF2O2H6C11 |
AB2C2D6E11 |
-118.73 |
4.32 |
-9.35 |
-1.51 |
0 |
|
|
375134 |
131472625 |
1 |
BrNSF2H6C11 |
ABCD2E6F11 |
-28.3 |
3.41 |
-9.3 |
-1.28 |
0 |
|
|
375135 |
131472629 |
1 |
BrNSF2H6C11 |
ABCD2E6F11 |
-27.2 |
4.11 |
-9.34 |
-1.23 |
0 |
|
|
375136 |
131472633 |
1 |
BrClNO2F3H4C7 |
ABCD2E3F4G7 |
-211.39 |
3.47 |
-9.94 |
-1.12 |
0 |
|
|
375137 |
131472634 |
1 |
BrClNO2F3H4C7 |
ABCD2E3F4G7 |
-214.26 |
2.72 |
-9.62 |
-1.1 |
0 |
|
|
375138 |
131472635 |
1 |
ClNSO3C6H10 |
ABCD3E6F10 |
-143.95 |
6.94 |
-10.11 |
-1.34 |
0 |
|
|
375139 |
131472645 |
1 |
ClO3C9H9 |
AB3C9D9 |
-123.08 |
4.44 |
-9.66 |
-0.59 |
0 |
|
|
375140 |
131472646 |
1 |
ClO3C9H9 |
AB3C9D9 |
-127.27 |
2.14 |
-9.19 |
-0.97 |
0 |
|
|
375141 |
131472648 |
1 |
BrO2C11H13 |
AB2C11D13 |
-61.16 |
2.77 |
-9.26 |
-0.33 |
0 |
|
|
375142 |
131472649 |
1 |
BrOSC7H9 |
ABCD7E9 |
-17.3 |
2.36 |
-9.12 |
-0.82 |
0 |
|
|
375143 |
131472652 |
1 |
BrFON2H6C8 |
ABCD2E6F8 |
-19.36 |
4.81 |
-8.96 |
-0.99 |
0 |
|
|
375144 |
131472655 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-6.52 |
1.07 |
-9.44 |
-1.89 |
0 |
|
|
375145 |
131472656 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-2.63 |
3.74 |
-9.53 |
-1.66 |
0 |
|
|
375146 |
131472658 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-4.96 |
3.83 |
-9.3 |
-1.55 |
0 |
|
|
375147 |
131472659 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-12.72 |
4.96 |
-9.39 |
-1.75 |
0 |
|
|
375148 |
131472660 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-10.55 |
5.26 |
-9.29 |
-1.55 |
0 |
|
|
375149 |
131472662 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-10.35 |
5.62 |
-9.3 |
-1.36 |
0 |
|
|
375150 |
131472665 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-14.87 |
2.51 |
-9.64 |
-1.79 |
0 |
|
|
375151 |
131472669 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-14.92 |
5.07 |
-9.62 |
-1.61 |
0 |
|
|
375152 |
131472693 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-5.37 |
4.25 |
-9.53 |
-1.6 |
0 |
|
|
375153 |
131472696 |
1 |
ClF3H3N3O3C6 |
AB3C3D3E3F6 |
-170.95 |
8.6 |
-9.79 |
-1.65 |
0 |
|
|
375154 |
131472697 |
1 |
ClF3H3N3O3C6 |
AB3C3D3E3F6 |
-174.06 |
7.49 |
-9.6 |
-1.82 |
0 |
|
|
375155 |
131472701 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-37.53 |
4.32 |
-9.22 |
-0.7 |
0 |
|
|
375156 |
131472702 |
1 |
ON2C12H18 |
AB2C12D18 |
-48.69 |
4.44 |
-8.65 |
0.19 |
0 |
|
|
375157 |
131472703 |
1 |
NOC13H19 |
ABC13D19 |
-48.47 |
2.99 |
-8.62 |
0.5 |
0 |
|
|
375158 |
131472716 |
1 |
F2N3H7C10 |
A2B3C7D10 |
-8.29 |
4.89 |
-10.35 |
-1.45 |
0 |
|
|
375159 |
131472723 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-97.5 |
3.59 |
-8.73 |
-1.11 |
0 |
|
|
375160 |
131472728 |
1 |
ON2F3C9H13 |
AB2C3D9E13 |
-188.8 |
6.13 |
-9.48 |
0.91 |
0 |
|
|
375161 |
131472731 |
1 |
ON2F3C9H13 |
AB2C3D9E13 |
-192.39 |
5.5 |
-9.7 |
1.16 |
0 |
|
|
375162 |
131472732 |
1 |
O3N4C9H10 |
A3B4C9D10 |
-41.85 |
5.33 |
-9.58 |
-1.35 |
0 |
|
|
375163 |
131472735 |
1 |
O3N4C9H10 |
A3B4C9D10 |
-56.12 |
5.05 |
-9.13 |
-0.83 |
0 |
|
|
375164 |
131472738 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-96.35 |
5.03 |
-8.77 |
-1.27 |
0 |
|
|
375165 |
131472739 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-98.87 |
5.36 |
-9.26 |
-1.19 |
0 |
|
|
375166 |
131472741 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-97.4 |
5.2 |
-9.18 |
-1.2 |
0 |
|
|
375167 |
131472743 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-98.42 |
6.23 |
-8.83 |
-1.21 |
0 |
|
|
375168 |
131472745 |
1 |
BrSO3H9C11 |
ABC3D9E11 |
-100.2 |
5.33 |
-8.88 |
-1.14 |
0 |
|
|
375169 |
131472747 |
1 |
BrNSO3H8C10 |
ABCD3E8F10 |
-10.58 |
6.97 |
-9.05 |
-1.61 |
0 |
|
|
375170 |
131472749 |
1 |
BrNSO3H8C10 |
ABCD3E8F10 |
-5.54 |
6.78 |
-9.13 |
-1.76 |
0 |
|
|
375171 |
131472751 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
-1.96 |
7.31 |
-9.27 |
-1.78 |
0 |
|
|
375172 |
131472753 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
2.62 |
5.55 |
-9.07 |
-1.72 |
0 |
|
|
375173 |
131472755 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
1.12 |
5.19 |
-9.05 |
-1.63 |
0 |
|
|
375174 |
131472757 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
1.42 |
7.58 |
-8.86 |
-1.89 |
0 |
|
|
375175 |
131472759 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
2.01 |
7.58 |
-8.96 |
-1.93 |
0 |
|
|
375176 |
131472761 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
-2.54 |
7.51 |
-9.43 |
-1.68 |
0 |
|
|
375177 |
131472763 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
4.06 |
6.52 |
-8.85 |
-1.9 |
0 |
|
|
375178 |
131472765 |
1 |
BrO4H9C11 |
AB4C9D11 |
-126.88 |
1.03 |
-9.07 |
-0.71 |
0 |
|
|
375179 |
131472780 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-87.9 |
6.19 |
-9.1 |
-1.3 |
0 |
|
|
375180 |
131472781 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-91.14 |
4.69 |
-9.33 |
-1.11 |
0 |
|
|
375181 |
131472783 |
1 |
OSN3C10H11 |
ABC3D10E11 |
5.99 |
5.95 |
-8.24 |
-0.78 |
0 |
|
|
375182 |
131472792 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-88.76 |
3.41 |
-8.88 |
-1.2 |
0 |
|
|
375183 |
131472793 |
1 |
SN5C9H11 |
AB5C9D11 |
76.34 |
3.05 |
-8.52 |
-0.92 |
0 |
|
|
375184 |
131472794 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
1.72 |
7.66 |
-9.18 |
-1.58 |
0 |
|
|
375185 |
131472795 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
0.35 |
6.5 |
-9.27 |
-1.65 |
0 |
|
|
375186 |
131472797 |
1 |
BrNSO3H6C9 |
ABCD3E6F9 |
-3.75 |
6.02 |
-9.04 |
-1.45 |
0 |
|
|
375187 |
131472800 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-87.96 |
4.47 |
-8.82 |
-1.26 |
0 |
|
|
375188 |
131472802 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-91.78 |
5.33 |
-9.33 |
-1.09 |
0 |
|
|
375189 |
131472811 |
1 |
NOC14H21 |
ABC14D21 |
-55.02 |
3.7 |
-8.6 |
0.41 |
0 |
|
|
375190 |
131472813 |
1 |
NO2C13H19 |
AB2C13D19 |
-89.58 |
2.8 |
-8.71 |
0.36 |
0 |
|
|
375191 |
131472814 |
1 |
NOC14H21 |
ABC14D21 |
-54.41 |
3.59 |
-8.6 |
0.43 |
0 |
|
|
375192 |
131472818 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-91.15 |
6.31 |
-9.07 |
-1.3 |
0 |