List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
215947 |
85085486 |
1 |
O2H12C13 |
A2B12C13 |
-29.41 |
5.39 |
-9.54 |
-1.02 |
0 |
|
|
215948 |
85085488 |
1 |
ON2C12H14 |
AB2C12D14 |
-12.52 |
4.04 |
-8.48 |
-0.15 |
0 |
|
|
215949 |
85085489 |
1 |
ON2C12H14 |
AB2C12D14 |
98.42 |
2.04 |
-9.51 |
0.55 |
0 |
|
|
215950 |
85085490 |
1 |
SO2C10H18 |
AB2C10D18 |
-97.5 |
4.98 |
-8.73 |
0.29 |
0 |
|
|
215951 |
85085491 |
1 |
SiO3C9H18 |
AB3C9D18 |
-169.69 |
3.42 |
-8.78 |
0.07 |
0 |
|
|
215952 |
85085492 |
1 |
BrC9H15 |
AB9C15 |
-11.97 |
4.61 |
-8.98 |
0.15 |
0 |
|
|
215953 |
85085493 |
1 |
NO3H9C11 |
AB3C9D11 |
-56.23 |
2.75 |
-8.76 |
-0.33 |
0 |
|
|
215954 |
85085494 |
1 |
NO3H9C11 |
AB3C9D11 |
-73.79 |
1.7 |
-10.33 |
-1.69 |
0 |
|
|
215955 |
85085495 |
1 |
FNO3C9H14 |
ABC3D9E14 |
-197.2 |
5.14 |
-10.32 |
0.41 |
0 |
|
|
215956 |
85085496 |
1 |
NO4C9H17 |
AB4C9D17 |
-196.4 |
2.93 |
-9.35 |
1.15 |
0 |
|
|
215957 |
85085502 |
3 |
OC4H4 |
AB4C4 |
-102.96 |
3.26 |
-9.73 |
-0.01 |
0 |
|
|
215958 |
85085503 |
2 |
NO2C4H8 |
AB2C4D8 |
-173.22 |
4.22 |
-9.33 |
1.31 |
0 |
|
|
215959 |
85085504 |
2 |
NO2C4H8 |
AB2C4D8 |
-188.97 |
1.06 |
-9.7 |
0.34 |
0 |
|
|
215960 |
85085506 |
1 |
ON2C12H16 |
AB2C12D16 |
4.26 |
3.82 |
-9.43 |
0.32 |
0 |
|
|
215961 |
85085509 |
1 |
OC14H20 |
AB14C20 |
-40.68 |
2.55 |
-9.24 |
0.49 |
0 |
|
|
215962 |
85085510 |
1 |
OC14H20 |
AB14C20 |
-51.39 |
1.87 |
-9.56 |
1.23 |
0 |
|
|
215963 |
85085514 |
1 |
NO2C12H15 |
AB2C12D15 |
-77.42 |
4.93 |
-9.62 |
0.01 |
0 |
|
|
215964 |
85085515 |
1 |
NOSeC7H12 |
ABCD7E12 |
-10.23 |
1.51 |
0.0 |
0.0 |
0 |
|
|
215965 |
85085516 |
1 |
SC6H6O6 |
AB6C6D6 |
-251.31 |
0.53 |
-10.5 |
-1.5 |
0 |
|
|
215966 |
85085517 |
1 |
O4H10C11 |
A4B10C11 |
-115.43 |
8.35 |
-9.87 |
-1.39 |
0 |
|
|
215967 |
85085518 |
1 |
O2N4H8C9 |
A2B4C8D9 |
86.58 |
5.06 |
-7.96 |
-2.34 |
0 |
|
|
215968 |
85085519 |
1 |
ON4C10H14 |
AB4C10D14 |
23.64 |
3.81 |
-10.51 |
-1.47 |
0 |
|
|
215969 |
85085520 |
1 |
O2C13H18 |
A2B13C18 |
-97.05 |
3.99 |
-9.47 |
-0.14 |
0 |
|
|
215970 |
85085521 |
1 |
OSC12H14 |
ABC12D14 |
-2.13 |
1.27 |
-8.82 |
-0.26 |
0 |
|
|
215971 |
85085524 |
1 |
OC14H22 |
AB14C22 |
-85.57 |
3.63 |
-9.75 |
0.88 |
0 |
|
|
215972 |
85085525 |
1 |
OC14H22 |
AB14C22 |
-54.7 |
3.28 |
-9.57 |
0.94 |
0 |
|
|
215973 |
85085526 |
2 |
OSC4H7 |
ABC4D7 |
-110.81 |
4.08 |
-9.21 |
-0.32 |
0 |
|
|
215974 |
85085527 |
1 |
C15H26 |
A15B26 |
-28.98 |
0.48 |
-9.1 |
1.42 |
0 |
|
|
215975 |
85085528 |
3 |
NOC3H3 |
ABC3D3 |
-41.23 |
4.46 |
-9.76 |
-1.91 |
0 |
|
|
215976 |
85085529 |
1 |
NPO3C8H18 |
ABC3D8E18 |
-206.93 |
2.88 |
-9.43 |
0.99 |
0 |
|
|
215977 |
85085530 |
1 |
OSH5N5C7 |
ABC5D5E7 |
71.67 |
6.8 |
-9.45 |
-1.94 |
0 |
|
|
215978 |
85085531 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-45.81 |
4.33 |
-9.35 |
-0.72 |
0 |
|
|
215979 |
85085532 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-78.64 |
5.09 |
-10.27 |
-0.3 |
0 |
|
|
215980 |
85085534 |
1 |
NSO2H9C10 |
ABC2D9E10 |
-14.97 |
4.72 |
-8.68 |
-1.13 |
0 |
|
|
215981 |
85085535 |
1 |
NO2C12H17 |
AB2C12D17 |
-77.32 |
2.72 |
-9.53 |
0.07 |
0 |
|
|
215982 |
85085537 |
1 |
O3C12H16 |
A3B12C16 |
-116.63 |
2.04 |
-8.95 |
0.16 |
0 |
|
|
215983 |
85085538 |
1 |
O3C12H16 |
A3B12C16 |
-123.91 |
3.56 |
-9.86 |
0.39 |
0 |
|
|
215984 |
85085539 |
1 |
O3C12H16 |
A3B12C16 |
-134.71 |
1.7 |
-9.67 |
0.55 |
0 |
|
|
215985 |
85085540 |
1 |
OH12C15 |
AB12C15 |
53.57 |
2.99 |
-8.58 |
-0.52 |
0 |
|
|
215986 |
85085541 |
1 |
OH12C15 |
AB12C15 |
45.51 |
3.85 |
-9.44 |
-0.4 |
0 |
|
|
215987 |
85085544 |
1 |
O2C13H20 |
A2B13C20 |
-82.28 |
2.71 |
-9.57 |
1.26 |
0 |
|
|
215988 |
85085545 |
1 |
PS2C8H17 |
AB2C8D17 |
-28.84 |
3.58 |
-8.33 |
0.53 |
0 |
|
|
215989 |
85085546 |
1 |
OC14H24 |
AB14C24 |
-66.04 |
2.0 |
-9.19 |
0.96 |
0 |
|
|
215990 |
85085547 |
1 |
NC6O7H11 |
AB6C7D11 |
-233.19 |
2.04 |
-10.6 |
-1.05 |
0 |
|
|
215991 |
85085549 |
1 |
NO4C10H11 |
AB4C10D11 |
-90.66 |
7.71 |
-9.26 |
-0.74 |
0 |
|
|
215992 |
85085550 |
1 |
N3O3C9H11 |
A3B3C9D11 |
-66.66 |
7.86 |
-9.67 |
-0.6 |
0 |
|
|
215993 |
85085551 |
1 |
NO3C11H15 |
AB3C11D15 |
-67.44 |
4.36 |
-9.96 |
-0.19 |
0 |
|
|
215994 |
85085552 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-43.37 |
2.67 |
-8.2 |
-0.31 |
0 |
|
|
215995 |
85085553 |
1 |
OSN3C9H11 |
ABC3D9E11 |
21.65 |
5.24 |
-8.32 |
0.02 |
0 |
|
|
215996 |
85085555 |
1 |
NOSC11H15 |
ABCD11E15 |
-14.55 |
6.7 |
-9.38 |
-0.54 |
0 |
|
|
215997 |
85085556 |
1 |
SN3C10H15 |
AB3C10D15 |
41.51 |
3.24 |
-8.98 |
-0.81 |
0 |
|
|
215998 |
85085558 |
1 |
O3N4C8H12 |
A3B4C8D12 |
-114.72 |
2.34 |
-10.44 |
-0.56 |
0 |
|
|
215999 |
85085559 |
1 |
O4C11H14 |
A4B11C14 |
-149.12 |
5.05 |
-10.2 |
-0.56 |
0 |
|
|
216000 |
85085560 |
1 |
O4C11H14 |
A4B11C14 |
-146.96 |
2.73 |
-9.1 |
-0.73 |
0 |
|
|
216001 |
85085561 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-94.97 |
1.42 |
-9.77 |
-0.72 |
0 |
|
|
216002 |
85085562 |
1 |
O2N4C9H14 |
A2B4C9D14 |
-44.36 |
7.14 |
-8.8 |
-0.36 |
0 |
|
|
216003 |
85085564 |
3 |
OC4H6 |
AB4C6 |
-128.36 |
4.44 |
-8.65 |
0.21 |
0 |
|
|
216004 |
85085565 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-114.45 |
5.65 |
-10.01 |
0.18 |
0 |
|
|
216005 |
85085566 |
1 |
SN4C9H14 |
AB4C9D14 |
65.77 |
6.99 |
-8.3 |
-0.53 |
0 |
|
|
216006 |
85085570 |
1 |
NO3C11H17 |
AB3C11D17 |
-133.76 |
4.51 |
-10.32 |
0.5 |
0 |
|
|
216007 |
85085571 |
1 |
NO3C11H17 |
AB3C11D17 |
-92.14 |
5.52 |
-9.55 |
0.21 |
0 |
|
|
216008 |
85085573 |
1 |
NO2C12H21 |
AB2C12D21 |
-99.02 |
2.53 |
-8.22 |
1.39 |
0 |
|
|
216009 |
85085574 |
1 |
NO2C12H21 |
AB2C12D21 |
-98.76 |
2.06 |
-8.1 |
1.52 |
0 |
|
|
216010 |
85085575 |
1 |
ClNO2C10H10 |
ABC2D10E10 |
-49.72 |
5.63 |
-9.83 |
-0.78 |
0 |
|
|
216011 |
85085577 |
1 |
N2F3H7C10 |
A2B3C7D10 |
-80.18 |
3.88 |
-9.16 |
-1.13 |
0 |
|
|
216012 |
85085579 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-98.13 |
0.34 |
-8.96 |
0.72 |
0 |
|
|
216013 |
85085580 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-132.91 |
2.95 |
-9.3 |
0.45 |
0 |
|
|
216014 |
85085581 |
1 |
SiO2C11H20 |
AB2C11D20 |
-134.08 |
2.46 |
-9.52 |
1.36 |
0 |
|
|
216015 |
85085583 |
1 |
NO2C12H23 |
AB2C12D23 |
-119.55 |
3.22 |
-8.57 |
2.24 |
0 |
|
|
216016 |
85085584 |
1 |
S2N3C8H13 |
A2B3C8D13 |
48.93 |
3.25 |
-8.71 |
-1.25 |
0 |
|
|
216017 |
85085585 |
1 |
NOC13H27 |
ABC13D27 |
-86.93 |
3.35 |
-9.64 |
1.12 |
0 |
|
|
216018 |
85085588 |
1 |
O4C11H18 |
A4B11C18 |
-118.91 |
3.18 |
-9.34 |
0.11 |
0 |
|
|
216019 |
85085589 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-134.49 |
2.3 |
-9.71 |
0.38 |
0 |
|
|
216020 |
85085590 |
1 |
O3C12H22 |
A3B12C22 |
-180.14 |
1.81 |
-10.19 |
0.77 |
0 |
|
|
216021 |
85085591 |
1 |
O3C12H22 |
A3B12C22 |
-177.07 |
6.03 |
-10.46 |
0.91 |
0 |