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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
84976 |
49871079 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-70.78 |
2.76 |
-8.82 |
-0.44 |
0 |
|
|
84977 |
49871095 |
1 |
BrClNOF2H3C6 |
ABCDE2F3G6 |
-121.87 |
2.73 |
-9.89 |
-1.35 |
0 |
|
|
84978 |
49871105 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-69.34 |
9.22 |
-8.22 |
-0.56 |
0 |
|
|
84979 |
49871116 |
1 |
ClO4C13H17 |
AB4C13D17 |
-162.39 |
3.02 |
-8.63 |
-0.42 |
0 |
|
|
84980 |
49871122 |
1 |
SN2O2H10C15 |
AB2C2D10E15 |
4.99 |
3.13 |
-8.41 |
-1.33 |
0 |
|
|
84981 |
49871129 |
1 |
ClO6C13H17 |
AB6C13D17 |
-258.71 |
1.23 |
-9.69 |
-0.55 |
0 |
|
|
84982 |
49871130 |
1 |
ClO6C13H17 |
AB6C13D17 |
-259.23 |
3.14 |
-9.79 |
-0.68 |
0 |
|
|
84983 |
49871149 |
1 |
SO3N4C21H28 |
AB3C4D21E28 |
-81.66 |
9.05 |
-7.87 |
-0.7 |
0 |
|
|
84984 |
49871178 |
1 |
O8C15H22 |
A8B15C22 |
-338.66 |
3.0 |
-9.05 |
0.06 |
0 |
|
|
84985 |
49871187 |
1 |
ClNF3H3O3C7 |
ABC3D3E3F7 |
-251.08 |
2.63 |
-10.6 |
-1.98 |
0 |
|
|
84986 |
49871195 |
1 |
ClO4C23H31 |
AB4C23D31 |
-199.32 |
2.22 |
-8.71 |
-0.08 |
0 |
|
|
84987 |
49871196 |
1 |
ClO4C24H33 |
AB4C24D33 |
-203.8 |
5.02 |
-8.7 |
-0.07 |
0 |
|
|
84988 |
49871199 |
1 |
SSiO3C31H52 |
ABC3D31E52 |
-218.47 |
4.3 |
-8.64 |
-0.49 |
0 |
|
|
84989 |
49871202 |
1 |
PO6C16H21 |
AB6C16D21 |
-279.11 |
3.72 |
-8.9 |
-0.06 |
0 |
|
|
84990 |
49871224 |
1 |
OH28C35 |
AB28C35 |
91.81 |
1.55 |
-9.05 |
-0.22 |
0 |
|
|
84991 |
49871227 |
1 |
ClN2O4C30H35 |
AB2C4D30E35 |
-141.31 |
5.3 |
-8.74 |
-0.23 |
0 |
|
|
84992 |
49871235 |
1 |
NOF3C14H14 |
ABC3D14E14 |
-172.82 |
6.05 |
-8.89 |
-1.08 |
0 |
|
|
84993 |
49871236 |
1 |
NOF3H12C14 |
ABC3D12E14 |
-174.23 |
8.51 |
-9.02 |
-0.71 |
0 |
|
|
84994 |
49871237 |
1 |
ON3C18H29 |
AB3C18D29 |
-51.8 |
6.48 |
-8.56 |
-0.01 |
0 |
|
|
84995 |
49871239 |
1 |
NF3C15H16 |
AB3C15D16 |
-99.43 |
5.71 |
-8.98 |
-0.77 |
0 |
|
|
84996 |
49871240 |
1 |
ClNSO3C18H18 |
ABCD3E18F18 |
-73.0 |
4.59 |
-9.48 |
-0.48 |
0 |
|
|
84997 |
49871242 |
1 |
IOSiC10H23 |
ABCD10E23 |
-122.93 |
1.72 |
-8.9 |
-0.75 |
0 |
|
|
84998 |
49871254 |
3 |
OC7H10 |
AB7C10 |
-151.31 |
7.2 |
-9.32 |
0.05 |
0 |
|
|
84999 |
49871271 |
1 |
O4N5C28H35 |
A4B5C28D35 |
-99.07 |
5.67 |
-8.91 |
-0.99 |
0 |
|
|
85001 |
49871276 |
1 |
BrNO2C11H20 |
ABC2D11E20 |
-38.51 |
6.28 |
-10.35 |
-0.43 |
0 |
|
|
85002 |
49871278 |
1 |
NSO5C17H25 |
ABC5D17E25 |
-228.77 |
4.05 |
-8.58 |
-0.07 |
0 |
|
|
85003 |
49871282 |
1 |
OC13H18 |
AB13C18 |
-41.23 |
4.23 |
-9.24 |
-0.04 |
0 |
|
|
85004 |
49871283 |
1 |
OC14H20 |
AB14C20 |
-50.41 |
5.74 |
-9.4 |
0.04 |
0 |
|
|
85005 |
49871288 |
1 |
O8C41H62 |
A8B41C62 |
-396.29 |
1.97 |
-9.22 |
0.32 |
0 |
|
|
85006 |
49871289 |
1 |
O8C41H62 |
A8B41C62 |
-396.94 |
4.02 |
-9.24 |
0.34 |
0 |
|
|
85007 |
49871290 |
1 |
O10C43H66 |
A10B43C66 |
-515.87 |
5.38 |
-9.12 |
0.38 |
0 |
|
|
85008 |
49871291 |
1 |
O11C24H26 |
A11B24C26 |
-404.94 |
1.65 |
-9.19 |
-1.24 |
0 |
|
|
85009 |
49871293 |
1 |
O5H12C15 |
A5B12C15 |
-171.48 |
3.27 |
-9.72 |
-1.04 |
0 |
|
|
85010 |
49871295 |
1 |
O5H12C15 |
A5B12C15 |
-166.04 |
4.45 |
-9.81 |
-0.94 |
0 |
|
|
85011 |
49871299 |
1 |
ClPN2H22C31 |
ABC2D22E31 |
126.15 |
3.77 |
-8.13 |
-1.23 |
0 |
|
|
85012 |
49871300 |
1 |
ClON2H15C20 |
ABC2D15E20 |
43.63 |
4.8 |
-8.8 |
-0.89 |
0 |
|
|
85013 |
49871308 |
1 |
NO8C19H31 |
AB8C19D31 |
-376.79 |
3.87 |
-10.18 |
0.4 |
0 |
|
|
85014 |
49871309 |
1 |
NO6C15H25 |
AB6C15D25 |
-260.96 |
3.67 |
-9.26 |
0.37 |
0 |
|
|
85015 |
49871310 |
1 |
NO8C20H33 |
AB8C20D33 |
-372.78 |
2.85 |
-9.55 |
0.58 |
0 |
|
|
85016 |
49871313 |
1 |
O4C23H34 |
A4B23C34 |
-205.14 |
3.51 |
-8.44 |
0.01 |
0 |
|
|
85017 |
49871314 |
1 |
N2O5C18H26 |
A2B5C18D26 |
-203.56 |
5.94 |
-10.11 |
-0.39 |
0 |
|
|
85018 |
49871315 |
1 |
N2O5C20H30 |
A2B5C20D30 |
-207.6 |
1.66 |
-10.22 |
-0.5 |
0 |
|
|
85019 |
49871326 |
1 |
ClN2O3C18H19 |
AB2C3D18E19 |
-20.91 |
6.1 |
-8.86 |
-1.57 |
0 |
|
|
85020 |
49871335 |
1 |
O8C41H62 |
A8B41C62 |
-395.39 |
5.4 |
-9.17 |
0.34 |
0 |
|
|
85021 |
49871348 |
1 |
NO6C18H25 |
AB6C18D25 |
-251.02 |
2.0 |
-9.3 |
0.31 |
0 |
|
|
85022 |
49871349 |
1 |
NO7C18H27 |
AB7C18D27 |
-287.34 |
2.07 |
-9.84 |
-0.12 |
0 |
|
|
85023 |
49871353 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-95.06 |
3.33 |
-10.2 |
-0.29 |
0 |
|
|
85024 |
49871360 |
1 |
O3N5C16H17 |
A3B5C16D17 |
14.26 |
7.8 |
-9.58 |
-1.59 |
0 |
|
|
85026 |
49871381 |
3 |
OC7H8 |
AB7C8 |
-109.34 |
2.52 |
-8.02 |
-0.27 |
0 |
|
|
85027 |
49871395 |
1 |
O2N4C11H14 |
A2B4C11D14 |
-44.12 |
4.29 |
-9.02 |
-0.6 |
0 |
|
|
85028 |
49871406 |
1 |
NO4C16H27 |
AB4C16D27 |
-211.5 |
1.35 |
-9.73 |
-0.66 |
0 |
|
|
85029 |
49871407 |
2 |
NO2H6C11 |
AB2C6D11 |
28.18 |
5.4 |
-9.2 |
-1.84 |
0 |
|
|
85030 |
49871411 |
1 |
BrN2O4C22H25 |
AB2C4D22E25 |
-146.48 |
5.21 |
-8.86 |
-0.53 |
0 |
|
|
85031 |
49871413 |
2 |
O2F3H9C12 |
A2B3C9D12 |
-421.09 |
3.38 |
-9.82 |
-1.19 |
0 |
|
|
85032 |
49871414 |
2 |
O2F3H9C12 |
A2B3C9D12 |
-417.43 |
4.75 |
-9.6 |
-1.22 |
0 |
|
|
85033 |
49871415 |
2 |
NO3C8H10 |
AB3C8D10 |
-160.68 |
3.6 |
-9.7 |
-0.59 |
0 |
|
|
85034 |
49871421 |
2 |
O5C18H28 |
A5B18C28 |
-508.51 |
3.92 |
-9.76 |
0.2 |
0 |
|
|
85035 |
49871422 |
2 |
O5C18H28 |
A5B18C28 |
-514.4 |
4.33 |
-9.77 |
0.41 |
0 |
|
|
85036 |
49871431 |
2 |
ON2C8H12 |
AB2C8D12 |
-69.98 |
5.58 |
-8.83 |
-0.58 |
0 |
|
|
85037 |
49871432 |
2 |
ON2C8H8 |
AB2C8D8 |
-10.68 |
4.54 |
-9.02 |
-0.5 |
0 |
|
|
85038 |
49871433 |
1 |
N4O5C19H22 |
A4B5C19D22 |
-124.65 |
6.6 |
-8.88 |
-0.69 |
0 |
|
|
85039 |
49871434 |
2 |
ON2H12C14 |
AB2C12D14 |
37.31 |
4.7 |
-8.95 |
-0.52 |
0 |
|
|
85040 |
49871437 |
2 |
NC9H9 |
AB9C9 |
68.92 |
3.69 |
-8.5 |
-0.08 |
0 |
|
|
85041 |
49871441 |
1 |
O5C16H22 |
A5B16C22 |
-208.82 |
5.73 |
-8.37 |
0.0 |
0 |
|
|
85042 |
49871442 |
1 |
N2O5C25H32 |
A2B5C25D32 |
-162.84 |
4.67 |
-8.45 |
-0.04 |
0 |
|
|
85043 |
49871443 |
1 |
O5C16H22 |
A5B16C22 |
-206.95 |
4.84 |
-8.25 |
0.12 |
0 |
|
|
85044 |
49871444 |
1 |
N2O5C25H32 |
A2B5C25D32 |
-163.36 |
5.67 |
-8.43 |
-0.02 |
0 |
|
|
85045 |
49871450 |
1 |
N3F6O9C32H43 |
A3B6C9D32E43 |
-732.46 |
7.04 |
-9.72 |
-0.1 |
0 |
|
|
85046 |
49871451 |
1 |
OF2H12C17 |
AB2C12D17 |
-61.79 |
3.88 |
-8.58 |
-0.86 |
0 |
|
|
85047 |
49871455 |
1 |
ClN3O4C21H22 |
AB3C4D21E22 |
-113.53 |
2.39 |
-8.42 |
-0.75 |
0 |
|
|
85048 |
49871456 |
1 |
ClO4H15C16 |
AB4C15D16 |
-139.78 |
4.92 |
-9.55 |
-0.39 |
0 |
|
|
85049 |
49871462 |
1 |
O2C15H24 |
A2B15C24 |
-110.72 |
2.81 |
-9.77 |
0.53 |
0 |
|
|
85050 |
49871463 |
1 |
O2C15H24 |
A2B15C24 |
-124.38 |
4.82 |
-9.7 |
0.91 |
0 |
|
|
85051 |
49871464 |
1 |
O3C19H32 |
A3B19C32 |
-144.65 |
1.05 |
-9.22 |
0.88 |
0 |
|
|
85052 |
49871470 |
2 |
NOC9H9 |
ABC9D9 |
20.18 |
7.82 |
-8.39 |
-0.88 |
0 |
|
|
85053 |
49871487 |
1 |
S2O4H32C35 |
A2B4C32D35 |
-35.0 |
5.81 |
-8.79 |
-0.96 |
0 |
|
|
85054 |
49871490 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-73.7 |
4.48 |
-8.94 |
-0.39 |
0 |
|
|
85055 |
49871492 |
1 |
N2O2C29H32 |
A2B2C29D32 |
-37.92 |
7.3 |
-8.64 |
-0.46 |
0 |
|
|
85056 |
49871502 |
1 |
SiO6C42H64 |
AB6C42D64 |
-354.68 |
5.94 |
-8.87 |
0.23 |
0 |
|
|
85057 |
49871534 |
1 |
BrH17C20 |
AB17C20 |
90.01 |
2.14 |
-9.19 |
-0.18 |
0 |
|
|
85058 |
49871536 |
1 |
O3C23H24 |
A3B23C24 |
-24.65 |
2.43 |
-8.62 |
-0.1 |
0 |
|
|
85060 |
49871545 |
1 |
SN3H21C24 |
AB3C21D24 |
149.39 |
6.98 |
-5.7 |
-0.38 |
0 |
|
|
85061 |
49871553 |
1 |
SN4O5C24H38 |
AB4C5D24E38 |
-182.69 |
1.75 |
-8.88 |
-1.37 |
0 |
|
|
85062 |
49871566 |
1 |
SiN3O6C29H47 |
AB3C6D29E47 |
-338.18 |
3.14 |
-8.68 |
-0.04 |
0 |
|
|
85063 |
49871567 |
1 |
N3O7C23H31 |
A3B7C23D31 |
-305.23 |
5.0 |
-9.56 |
-0.42 |
0 |
|
|
85064 |
49871570 |
1 |
N2O5H16C19 |
A2B5C16D19 |
-110.55 |
6.43 |
-9.69 |
-1.11 |
0 |
|
|
85065 |
49871572 |
2 |
NO2C6H6 |
AB2C6D6 |
-103.1 |
3.75 |
-9.51 |
-0.89 |
0 |
|
|
85066 |
49871575 |
2 |
OSC3H3 |
ABC3D3 |
-63.94 |
2.4 |
-8.6 |
-0.77 |
0 |
|
|
85067 |
49871578 |
1 |
O7C23H30 |
A7B23C30 |
-239.17 |
5.67 |
-8.4 |
0.0 |
0 |
|
|
85068 |
49871580 |
2 |
O2C10H13 |
A2B10C13 |
-144.45 |
2.31 |
-8.56 |
0.09 |
0 |
|
|
85069 |
49871581 |
1 |
O5C22H30 |
A5B22C30 |
-179.67 |
5.86 |
-8.17 |
0.22 |
0 |
|
|
85070 |
49871582 |
1 |
NO4C15H21 |
AB4C15D21 |
-157.2 |
7.41 |
-8.82 |
0.32 |
0 |
|
|
85071 |
49871583 |
1 |
ON2C10H14 |
AB2C10D14 |
-35.34 |
3.61 |
-8.66 |
0.86 |
0 |
|
|
85072 |
49871584 |
1 |
NSO3C12H15 |
ABC3D12E15 |
-96.22 |
1.76 |
-8.5 |
-0.3 |
0 |
|
|
85073 |
49871585 |
1 |
SN2O3C27H36 |
AB2C3D27E36 |
-116.19 |
5.02 |
-8.45 |
-0.18 |
0 |
|
|
85074 |
49871587 |
1 |
NSiO3C17H25 |
ABC3D17E25 |
-110.53 |
4.65 |
-8.67 |
-1.84 |
0 |
|
|
85075 |
49871590 |
22 |
CH |
AB |
69.83 |
1.25 |
-8.84 |
0.07 |
0 |
|
|
85076 |
49871616 |
1 |
NO4C12H17 |
AB4C12D17 |
-172.3 |
2.71 |
-10.34 |
-0.07 |
0 |
|
|
85077 |
49871629 |
1 |
O26C59H94 |
A26B59C94 |
-1230.6 |
3.33 |
-9.37 |
-0.22 |
0 |
|
|
85078 |
49871630 |
1 |
SiN2O4C19H26 |
AB2C4D19E26 |
-127.48 |
9.05 |
-8.52 |
-2.26 |
0 |