List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
16899 |
478905 |
1 |
BrO2H15C20 |
AB2C15D20 |
0.67 |
3.94 |
-9.3 |
-0.81 |
0 |
|
|
16900 |
479035 |
1 |
FN3O3C18H22 |
AB3C3D18E22 |
-138.96 |
16.46 |
-8.82 |
-0.78 |
0 |
|
|
16901 |
479182 |
2 |
N3O4C23H28 |
A3B4C23D28 |
-276.1 |
2.68 |
-9.04 |
-0.34 |
0 |
|
|
16902 |
479185 |
3 |
N2O5C19H28 |
A2B5C19D28 |
-577.26 |
4.45 |
-7.27 |
-2.26 |
0 |
|
|
16903 |
479190 |
1 |
N7O9C49H61 |
A7B9C49D61 |
-344.89 |
12.59 |
-8.99 |
-1.25 |
0 |
|
|
16904 |
479217 |
3 |
OC10H16 |
AB10C16 |
-190.25 |
3.51 |
-9.43 |
0.87 |
0 |
|
|
16905 |
479233 |
1 |
O3N5C11H15 |
A3B5C11D15 |
-51.86 |
14.44 |
-8.98 |
-0.01 |
0 |
|
|
16906 |
479239 |
1 |
O3N6C13H18 |
A3B6C13D18 |
-4.56 |
7.23 |
-9.29 |
-1.19 |
0 |
|
|
16907 |
479284 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-70.39 |
1.81 |
-8.02 |
0.2 |
0 |
|
|
16908 |
479290 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-40.85 |
4.77 |
-7.68 |
0.19 |
0 |
|
|
16909 |
479301 |
1 |
OSN2H16C17 |
ABC2D16E17 |
59.68 |
3.67 |
-8.39 |
-1.23 |
0 |
|
|
16910 |
479311 |
1 |
P2N11O17C60H97 |
A2B11C17D60E97 |
-792.68 |
9.51 |
-9.23 |
-3.25 |
0 |
|
|
16911 |
479313 |
1 |
N7O13C52H69 |
A7B13C52D69 |
-449.46 |
14.5 |
-7.68 |
-1.83 |
0 |
|
|
16912 |
479557 |
1 |
FN3O3H12C16 |
AB3C3D12E16 |
-69.84 |
6.32 |
-9.47 |
-2.28 |
0 |
|
|
16913 |
479564 |
1 |
FO3N5C23H30 |
AB3C5D23E30 |
-113.28 |
15.01 |
-8.62 |
-1.3 |
0 |
|
|
16914 |
479597 |
1 |
FO3N5C24H30 |
AB3C5D24E30 |
-89.47 |
15.15 |
-8.78 |
-1.5 |
0 |
|
|
16915 |
479632 |
1 |
F2N3O3C19H21 |
A2B3C3D19E21 |
-163.47 |
11.37 |
-8.86 |
-1.61 |
0 |
|
|
16916 |
479642 |
1 |
N3O3F4C20H21 |
A3B3C4D20E21 |
-279.72 |
9.91 |
-9.11 |
-1.78 |
0 |
|
|
16917 |
479663 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-5.53 |
1.69 |
-9.07 |
-0.74 |
0 |
|
|
16918 |
479742 |
3 |
NOC5H5 |
ABC5D5 |
-30.87 |
5.58 |
-9.15 |
-1.37 |
0 |
|
|
16919 |
479876 |
2 |
NOSC13H16 |
ABCD13E16 |
-15.05 |
3.69 |
-8.61 |
-0.51 |
0 |
|
|
16920 |
479919 |
1 |
ClNBr2O3H6C14 |
ABC2D3E6F14 |
-60.15 |
2.8 |
-9.84 |
-1.75 |
0 |
|
|
16921 |
480016 |
1 |
N2O2S2C9H12 |
A2B2C2D9E12 |
-44.1 |
2.64 |
-9.21 |
-1.21 |
0 |
|
|
16922 |
480144 |
1 |
SO12N32C64H124 |
AB12C32D64E124 |
-431.02 |
22.67 |
-7.38 |
-1.09 |
0 |
|
|
16923 |
480156 |
1 |
S2N5O6C33H41 |
A2B5C6D33E41 |
-165.96 |
6.6 |
-8.87 |
-1.23 |
0 |
|
|
16924 |
480161 |
1 |
SN3O4C32H45 |
AB3C4D32E45 |
-176.96 |
3.72 |
-8.64 |
-0.38 |
0 |
|
|
16925 |
480175 |
1 |
O17H34C38 |
A17B34C38 |
-606.55 |
12.42 |
-8.93 |
-1.72 |
0 |
|
|
16926 |
480198 |
1 |
Cl2F2O2N6H20C23 |
A2B2C2D6E20F23 |
-64.39 |
5.23 |
-9.96 |
-1.2 |
0 |
|
|
16927 |
480294 |
2 |
NOSF3H5C8 |
ABCD3E5F8 |
-357.48 |
9.21 |
-9.51 |
-2.04 |
0 |
|
|
16928 |
480353 |
1 |
SN4O9C33H48 |
AB4C9D33E48 |
-374.08 |
2.54 |
-9.49 |
-0.62 |
0 |
|
|
16929 |
480356 |
1 |
SN3O8C30H43 |
AB3C8D30E43 |
-318.21 |
7.86 |
-9.29 |
-0.57 |
0 |
|
|
16930 |
480392 |
1 |
SN3O8C31H43 |
AB3C8D31E43 |
-329.58 |
5.64 |
-8.99 |
-0.65 |
0 |
|
|
16931 |
480462 |
1 |
SN5O8C32H47 |
AB5C8D32E47 |
-332.76 |
6.85 |
-9.13 |
-0.37 |
0 |
|
|
16932 |
480466 |
1 |
SN4O9C32H46 |
AB4C9D32E46 |
-380.48 |
14.71 |
-8.97 |
-0.19 |
0 |
|
|
16933 |
480512 |
1 |
SN3O11C35H43 |
AB3C11D35E43 |
-386.83 |
5.3 |
-9.53 |
-1.07 |
0 |
|
|
16934 |
480513 |
1 |
S2N3O10C35H43 |
A2B3C10D35E43 |
-354.18 |
7.29 |
-9.32 |
-0.98 |
0 |
|
|
16935 |
480550 |
1 |
SN3O10C33H45 |
AB3C10D33E45 |
-399.73 |
5.51 |
-9.24 |
-0.69 |
0 |
|
|
16936 |
480553 |
1 |
SN3O10C36H51 |
AB3C10D36E51 |
-417.07 |
5.17 |
-9.54 |
-1.07 |
0 |
|
|
16937 |
480570 |
1 |
S2N3O11C37H47 |
A2B3C11D37E47 |
-392.69 |
15.5 |
-9.6 |
-1.14 |
0 |
|
|
16938 |
480572 |
1 |
FSN3O10C38H46 |
ABC3D10E38F46 |
-410.82 |
8.5 |
-9.59 |
-1.26 |
0 |
|
|
16939 |
480637 |
1 |
SN3O10C38H55 |
AB3C10D38E55 |
-428.19 |
8.93 |
-9.09 |
-0.6 |
0 |
|
|
16940 |
480639 |
1 |
SN3O10C37H51 |
AB3C10D37E51 |
-382.61 |
9.73 |
-9.45 |
-0.93 |
0 |
|
|
16941 |
480692 |
1 |
SN5O10C40H49 |
AB5C10D40E49 |
-299.34 |
7.18 |
-9.35 |
-0.83 |
0 |
|
|
16942 |
480753 |
1 |
SN2O8C30H44 |
AB2C8D30E44 |
-347.59 |
9.27 |
-9.06 |
-0.43 |
0 |
|
|
16943 |
480777 |
1 |
O5C21H22 |
A5B21C22 |
-150.65 |
0.51 |
-8.29 |
-0.49 |
0 |
|
|
16944 |
480778 |
1 |
O5H16C20 |
A5B16C20 |
-127.01 |
10.82 |
-8.79 |
-1.26 |
0 |
|
|
16945 |
480802 |
1 |
O5C25H26 |
A5B25C26 |
-173.34 |
8.24 |
-8.89 |
-1.0 |
0 |
|
|
16946 |
480813 |
1 |
O9H26C32 |
A9B26C32 |
-218.44 |
12.51 |
-9.2 |
-1.96 |
0 |
|
|
16947 |
480856 |
2 |
O2C11H12 |
A2B11C12 |
-126.22 |
3.86 |
-8.23 |
0.11 |
0 |
|
|
16948 |
480857 |
4 |
OC6H6 |
AB6C6 |
-125.72 |
3.57 |
-8.46 |
-1.0 |
0 |
|
|
16949 |
480883 |
1 |
O18H38C43 |
A18B38C43 |
-604.23 |
3.05 |
-8.81 |
-1.04 |
0 |
|
|
16950 |
480929 |
1 |
N3O6C13H21 |
A3B6C13D21 |
-257.64 |
4.44 |
-10.04 |
-1.1 |
0 |
|
|
16951 |
480969 |
1 |
SN2O6H20C23 |
AB2C6D20E23 |
-151.54 |
2.52 |
-9.47 |
-1.14 |
0 |
|
|
16952 |
480970 |
1 |
SN2O5H22C23 |
AB2C5D22E23 |
-124.41 |
3.02 |
-9.3 |
-1.0 |
0 |
|
|
16953 |
480983 |
1 |
SCl2N2O3H16C21 |
AB2C2D3E16F21 |
-41.82 |
5.03 |
-9.27 |
-0.96 |
0 |
|
|
16954 |
481052 |
1 |
SF2O2N8H20C26 |
AB2C2D8E20F26 |
18.63 |
7.41 |
-9.17 |
-1.64 |
0 |
|
|
16955 |
481053 |
1 |
BN5O7C22H36 |
AB5C7D22E36 |
-389.97 |
9.84 |
-9.57 |
0.05 |
0 |
|
|
16956 |
481056 |
1 |
BN5O7C21H34 |
AB5C7D21E34 |
-383.21 |
8.03 |
-9.69 |
-0.01 |
0 |
|
|
16957 |
481069 |
1 |
SN4O4C21H28 |
AB4C4D21E28 |
-136.57 |
7.24 |
-9.15 |
-0.55 |
0 |
|
|
16958 |
481070 |
1 |
SN5O7C36H57 |
AB5C7D36E57 |
-338.47 |
4.01 |
-9.26 |
-0.5 |
0 |
|
|
16959 |
481071 |
1 |
SN5O9C37H57 |
AB5C9D37E57 |
-411.65 |
2.9 |
-9.25 |
-0.5 |
0 |
|
|
16960 |
481082 |
1 |
O2N6C11H14 |
A2B6C11D14 |
-4.14 |
4.09 |
-8.82 |
-0.25 |
0 |
|
|
16961 |
481111 |
1 |
SN4O7C10H12 |
AB4C7D10E12 |
-203.53 |
11.85 |
-9.31 |
-1.92 |
0 |
|
|
16962 |
481112 |
1 |
O10C43H80 |
A10B43C80 |
-570.78 |
5.74 |
-9.25 |
0.71 |
0 |
|
|
16963 |
481149 |
1 |
BrFN2O2H20C21 |
ABC2D2E20F21 |
-76.44 |
3.67 |
-9.04 |
-0.9 |
0 |
|
|
16964 |
481152 |
1 |
BrN2O2C22H23 |
AB2C2D22E23 |
-41.06 |
2.6 |
-9.4 |
-0.68 |
0 |
|
|
16965 |
481305 |
1 |
N3S3O6C28H45 |
A3B3C6D28E45 |
-251.33 |
10.23 |
-9.31 |
-0.58 |
0 |
|
|
16966 |
481318 |
1 |
N2S2O7C27H40 |
A2B2C7D27E40 |
-287.62 |
6.97 |
-9.09 |
-0.46 |
0 |
|
|
16967 |
481324 |
1 |
SN2O4C27H42 |
AB2C4D27E42 |
-162.49 |
8.98 |
-8.84 |
-0.58 |
0 |
|
|
16968 |
481330 |
1 |
SO4N5C22H35 |
AB4C5D22E35 |
-161.02 |
4.5 |
-8.61 |
-0.47 |
0 |
|
|
16969 |
481360 |
1 |
N2S2O8C23H28 |
A2B2C8D23E28 |
-287.96 |
6.2 |
-9.93 |
-1.11 |
0 |
|
|
16970 |
481376 |
1 |
SO4N5C29H45 |
AB4C5D29E45 |
-149.15 |
9.32 |
-8.71 |
-0.76 |
0 |
|
|
16971 |
481386 |
1 |
SN2O4C31H40 |
AB2C4D31E40 |
-121.78 |
9.39 |
-8.77 |
-0.85 |
0 |
|
|
16972 |
481396 |
1 |
NSO2H13C14 |
ABC2D13E14 |
-21.82 |
5.78 |
-9.58 |
-0.65 |
0 |
|
|
16973 |
481413 |
2 |
NSC6H8 |
ABC6D8 |
31.59 |
3.32 |
-9.03 |
-0.79 |
0 |
|
|
16974 |
481453 |
1 |
ON6C22H22 |
AB6C22D22 |
70.21 |
4.8 |
-8.2 |
-0.34 |
0 |
|
|
16975 |
481458 |
1 |
SO2N3H17C20 |
AB2C3D17E20 |
25.08 |
3.87 |
-8.4 |
-0.61 |
0 |
|
|
16976 |
481470 |
1 |
N6O11C36H54 |
A6B11C36D54 |
-488.73 |
8.38 |
-9.27 |
-0.61 |
0 |
|
|
16977 |
481492 |
1 |
N2O3H12C17 |
A2B3C12D17 |
17.47 |
9.77 |
-9.59 |
-1.38 |
0 |
|
|
16978 |
481512 |
1 |
PSN6O12C32H45 |
ABC6D12E32F45 |
-525.94 |
6.91 |
-9.48 |
-0.56 |
0 |
|
|
16979 |
481526 |
1 |
IN3O4C11H12 |
AB3C4D11E12 |
-75.71 |
2.96 |
-9.51 |
-1.43 |
0 |
|
|
16980 |
481548 |
1 |
MnS4N8O8C56H56 |
AB4C8D8E56F56 |
25.08 |
6.66 |
0.0 |
0.0 |
0 |
|
|
16981 |
481555 |
1 |
MnN4Cl8H20C44 |
AB4C8D20E44 |
383.46 |
3.47 |
0.0 |
0.0 |
0 |
|
|
16982 |
481581 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-152.26 |
1.84 |
-8.37 |
-0.62 |
0 |
|
|
16983 |
481599 |
1 |
N4O5C10H12 |
A4B5C10D12 |
-95.07 |
2.67 |
-9.62 |
-0.91 |
0 |
|
|
16984 |
481668 |
1 |
Cl2N2O2H12C15 |
A2B2C2D12E15 |
-61.31 |
3.96 |
-9.02 |
-0.74 |
0 |
|
|
16985 |
481712 |
1 |
BOSN3H10C12 |
ABCD3E10F12 |
-23.27 |
2.02 |
-8.9 |
-0.67 |
0 |
|
|
16986 |
481719 |
1 |
ClN2O5C21H21 |
AB2C5D21E21 |
-192.2 |
3.21 |
-9.31 |
-0.76 |
0 |
|
|
16987 |
481720 |
2 |
NO3C11H12 |
AB3C11D12 |
-223.08 |
4.1 |
-9.22 |
-0.63 |
0 |
|
|
16988 |
481730 |
1 |
N2O3H22C23 |
A2B3C22D23 |
-79.3 |
3.58 |
-8.76 |
-0.86 |
0 |
|
|
16989 |
481759 |
1 |
ClFSO2N4H18C26 |
ABCD2E4F18G26 |
7.93 |
3.98 |
-8.89 |
-1.34 |
0 |
|
|
16990 |
481760 |
1 |
SF2O2N4H18C27 |
AB2C2D4E18F27 |
-30.76 |
4.58 |
-9.02 |
-1.61 |
0 |
|
|
16991 |
481776 |
1 |
O7N9C21H29 |
A7B9C21D29 |
-198.68 |
8.98 |
-8.58 |
-0.72 |
0 |
|
|
16992 |
481777 |
1 |
O8N9C21H29 |
A8B9C21D29 |
-245.22 |
7.9 |
-8.81 |
-0.42 |
0 |
|
|
16993 |
481813 |
1 |
N3O6C33H43 |
A3B6C33D43 |
-228.38 |
3.94 |
-9.11 |
0.28 |
0 |
|
|
16994 |
481814 |
1 |
O4N5C30H47 |
A4B5C30D47 |
-203.63 |
0.9 |
-9.1 |
0.34 |
0 |
|
|
16995 |
481828 |
1 |
N4O7C44H56 |
A4B7C44D56 |
-272.25 |
4.91 |
-9.18 |
-0.4 |
0 |
|
|
16996 |
481830 |
1 |
N5O7C37H51 |
A5B7C37D51 |
-294.16 |
2.37 |
-9.14 |
-0.25 |
0 |
|
|
16997 |
481835 |
2 |
N3O3C19H27 |
A3B3C19D27 |
-244.53 |
5.7 |
-9.24 |
-0.19 |
0 |
|
|
16998 |
481854 |
2 |
N3O3C19H25 |
A3B3C19D25 |
-222.9 |
2.96 |
-9.23 |
-0.98 |
0 |