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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71852 |
48415538 |
1 |
ClFON3H17C18 |
ABCD3E17F18 |
-37.06 |
3.09 |
-8.9 |
-0.83 |
0 |
|
|
71853 |
48415539 |
1 |
O2N5C23H25 |
A2B5C23D25 |
11.42 |
5.28 |
-8.88 |
-0.86 |
0 |
|
|
71854 |
48415540 |
1 |
O2N5C24H25 |
A2B5C24D25 |
20.43 |
2.26 |
-9.06 |
-0.67 |
0 |
|
|
71855 |
48415541 |
2 |
ON3C10H10 |
AB3C10D10 |
31.34 |
2.66 |
-8.91 |
-1.12 |
0 |
|
|
71856 |
48415542 |
1 |
ClOSN4H19C21 |
ABCD4E19F21 |
51.46 |
3.81 |
-9.04 |
-1.19 |
0 |
|
|
71857 |
48415543 |
1 |
OSF3N3H18C19 |
ABC3D3E18F19 |
-139.97 |
3.34 |
-8.98 |
-1.4 |
0 |
|
|
71858 |
48415544 |
1 |
O2N5C23H23 |
A2B5C23D23 |
30.16 |
8.37 |
-8.9 |
-0.68 |
0 |
|
|
71859 |
48415545 |
1 |
SO2N5C20H21 |
AB2C5D20E21 |
40.82 |
7.69 |
-8.59 |
-1.24 |
0 |
|
|
71860 |
48415546 |
1 |
OSN3C21H21 |
ABC3D21E21 |
29.82 |
7.11 |
-8.72 |
-0.78 |
0 |
|
|
71861 |
48415547 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-59.57 |
4.02 |
-8.81 |
-0.13 |
0 |
|
|
71862 |
48415549 |
2 |
ON2C9H10 |
AB2C9D10 |
-12.39 |
5.72 |
-9.05 |
-0.48 |
0 |
|
|
71863 |
48415550 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-85.27 |
3.61 |
-9.05 |
-0.52 |
0 |
|
|
71864 |
48415551 |
1 |
BrO3N4C18H19 |
AB3C4D18E19 |
-45.38 |
1.89 |
-9.05 |
-0.89 |
0 |
|
|
71865 |
48415552 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-70.26 |
5.04 |
-9.09 |
-0.26 |
0 |
|
|
71866 |
48415553 |
2 |
ON2C11H13 |
AB2C11D13 |
-45.1 |
5.81 |
-8.64 |
-0.51 |
0 |
|
|
71867 |
48415554 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-36.51 |
4.6 |
-8.7 |
-0.56 |
0 |
|
|
71868 |
48415556 |
1 |
ON5C22H23 |
AB5C22D23 |
61.82 |
8.24 |
-9.08 |
-0.66 |
0 |
|
|
71869 |
48415557 |
1 |
Cl2O2N3C19H19 |
A2B2C3D19E19 |
-32.5 |
3.66 |
-8.87 |
-0.75 |
0 |
|
|
71870 |
48415558 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-94.72 |
1.99 |
-8.98 |
-0.19 |
0 |
|
|
71871 |
48415559 |
1 |
ClO2N3C20H20 |
AB2C3D20E20 |
-29.6 |
5.02 |
-8.72 |
-0.41 |
0 |
|
|
71872 |
48415560 |
1 |
ON5C16H19 |
AB5C16D19 |
39.65 |
2.02 |
-8.96 |
-0.15 |
0 |
|
|
71873 |
48415561 |
1 |
OS2N6C19H20 |
AB2C6D19E20 |
72.76 |
2.11 |
-8.88 |
-1.04 |
0 |
|
|
71874 |
48415562 |
1 |
FO2N5H22C23 |
AB2C5D22E23 |
-18.25 |
13.35 |
-8.52 |
-1.16 |
0 |
|
|
71875 |
48415563 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-33.34 |
4.33 |
-8.56 |
0.0 |
0 |
|
|
71876 |
48415566 |
1 |
OSN5C21H21 |
ABC5D21E21 |
61.33 |
6.38 |
-8.4 |
-0.59 |
0 |
|
|
71877 |
48415567 |
1 |
FON5C23H24 |
ABC5D23E24 |
3.99 |
2.67 |
-9.0 |
-0.79 |
0 |
|
|
71878 |
48415568 |
1 |
O3N4C23H24 |
A3B4C23D24 |
-70.19 |
3.74 |
-9.13 |
-0.33 |
0 |
|
|
71879 |
48415569 |
1 |
OSN3H19C20 |
ABC3D19E20 |
34.83 |
7.35 |
-8.62 |
-1.07 |
0 |
|
|
71880 |
48415570 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-22.61 |
2.96 |
-9.05 |
-0.24 |
0 |
|
|
71881 |
48415571 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
-48.32 |
1.68 |
-9.06 |
-0.37 |
0 |
|
|
71882 |
48415572 |
1 |
ON4C22H22 |
AB4C22D22 |
52.15 |
3.88 |
-8.86 |
-0.85 |
0 |
|
|
71883 |
48415573 |
1 |
SO3N4C21H24 |
AB3C4D21E24 |
-63.97 |
5.74 |
-8.84 |
-0.31 |
0 |
|
|
71884 |
48415574 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-21.6 |
2.39 |
-8.95 |
-0.13 |
0 |
|
|
71885 |
48415575 |
1 |
O2N5C22H25 |
A2B5C22D25 |
-26.1 |
7.62 |
-9.15 |
-0.82 |
0 |
|
|
71886 |
48415576 |
1 |
BrO2N3C19H20 |
AB2C3D19E20 |
-14.79 |
6.88 |
-9.03 |
-0.36 |
0 |
|
|
71887 |
48415577 |
1 |
ON3C18H23 |
AB3C18D23 |
-2.76 |
3.91 |
-8.86 |
-0.04 |
0 |
|
|
71888 |
48415578 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-62.78 |
4.48 |
-8.8 |
-0.72 |
0 |
|
|
71889 |
48415579 |
1 |
O3N4H22C23 |
A3B4C22D23 |
-27.08 |
10.89 |
-8.56 |
-1.05 |
0 |
|
|
71890 |
48415580 |
1 |
ClN3O3C21H22 |
AB3C3D21E22 |
-66.52 |
9.63 |
-8.6 |
-0.73 |
0 |
|
|
71891 |
48415581 |
1 |
F2O2N3C20H21 |
A2B2C3D20E21 |
-137.6 |
5.62 |
-8.69 |
-0.56 |
0 |
|
|
71892 |
48415582 |
1 |
BrFON3H17C18 |
ABCD3E17F18 |
-21.26 |
6.59 |
-9.11 |
-0.53 |
0 |
|
|
71893 |
48415583 |
2 |
ON2C8H9 |
AB2C8D9 |
15.3 |
2.03 |
-9.09 |
-0.64 |
0 |
|
|
71894 |
48415587 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
-72.56 |
10.2 |
-8.59 |
-0.37 |
0 |
|
|
71895 |
48415588 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-92.44 |
5.85 |
-9.03 |
-0.21 |
0 |
|
|
71896 |
48415589 |
1 |
OSN3C18H21 |
ABC3D18E21 |
4.76 |
2.2 |
-8.91 |
-0.21 |
0 |
|
|
71897 |
48415590 |
1 |
OSN4C22H22 |
ABC4D22E22 |
47.77 |
4.25 |
-9.07 |
-1.07 |
0 |
|
|
71898 |
48415591 |
1 |
ON6C23H28 |
AB6C23D28 |
33.04 |
3.89 |
-8.85 |
-0.45 |
0 |
|
|
71899 |
48415596 |
1 |
ON3C22H25 |
AB3C22D25 |
2.72 |
7.02 |
-9.01 |
-0.19 |
0 |
|
|
71900 |
48415597 |
1 |
O2N5C23H29 |
A2B5C23D29 |
-44.09 |
4.76 |
-9.35 |
-0.57 |
0 |
|
|
71901 |
48415598 |
1 |
FOSN4H21C22 |
ABCD4E21F22 |
1.93 |
6.56 |
-9.01 |
-1.28 |
0 |
|
|
71902 |
48415599 |
1 |
ON3C20H23 |
AB3C20D23 |
5.73 |
4.78 |
-9.04 |
-0.28 |
0 |
|
|
71903 |
48415600 |
1 |
N4O5C21H24 |
A4B5C21D24 |
-64.91 |
7.79 |
-8.77 |
-1.51 |
0 |
|
|
71904 |
48415601 |
1 |
O2N4H22C25 |
A2B4C22D25 |
70.63 |
5.76 |
-9.09 |
-1.43 |
0 |
|
|
71905 |
48415602 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-31.3 |
3.76 |
-8.98 |
-0.16 |
0 |
|
|
71906 |
48415603 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-28.19 |
3.38 |
-8.95 |
-0.75 |
0 |
|
|
71907 |
48415604 |
2 |
N2O2C11H13 |
A2B2C11D13 |
-96.53 |
3.32 |
-8.65 |
-0.26 |
0 |
|
|
71908 |
48415605 |
1 |
FO2N4C20H21 |
AB2C4D20E21 |
-67.96 |
2.65 |
-9.05 |
-0.54 |
0 |
|
|
71909 |
48415606 |
1 |
ClO2N4C20H21 |
AB2C4D20E21 |
-29.79 |
2.77 |
-9.01 |
-0.62 |
0 |
|
|
71910 |
48415607 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-73.83 |
6.99 |
-8.56 |
-0.62 |
0 |
|
|
71911 |
48415609 |
1 |
FON3C20H22 |
ABC3D20E22 |
-38.74 |
4.8 |
-9.16 |
-0.34 |
0 |
|
|
71912 |
48415610 |
1 |
ClO2N3H20C22 |
AB2C3D20E22 |
8.36 |
6.92 |
-9.07 |
-0.93 |
0 |
|
|
71913 |
48415611 |
1 |
ON5C21H21 |
AB5C21D21 |
60.97 |
6.5 |
-8.9 |
-0.61 |
0 |
|
|
71914 |
48415612 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-70.6 |
4.34 |
-9.0 |
-0.46 |
0 |
|
|
71915 |
48415613 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-76.76 |
6.44 |
-8.59 |
-0.88 |
0 |
|
|
71916 |
48415614 |
1 |
O2N3C25H27 |
A2B3C25D27 |
-17.34 |
3.13 |
-8.54 |
-0.49 |
0 |
|
|
71917 |
48415615 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
-43.49 |
2.04 |
-8.94 |
-0.57 |
0 |
|
|
71918 |
48415616 |
1 |
ClN3O3H18C19 |
AB3C3D18E19 |
-52.37 |
6.96 |
-8.66 |
-0.92 |
0 |
|
|
71919 |
48415617 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-68.75 |
7.61 |
-8.74 |
-0.09 |
0 |
|
|
71920 |
48415618 |
1 |
FO2N3H20C21 |
AB2C3D20E21 |
-47.19 |
4.89 |
-9.07 |
-0.88 |
0 |
|
|
71921 |
48415619 |
1 |
OSCl2N3H15C16 |
ABC2D3E15F16 |
21.35 |
7.55 |
-8.58 |
-1.29 |
0 |
|
|
71922 |
48415620 |
1 |
OSN3C18H21 |
ABC3D18E21 |
14.6 |
3.14 |
-8.87 |
-0.24 |
0 |
|
|
71923 |
48415622 |
1 |
ClFO2N3C19H19 |
ABC2D3E19F19 |
-70.12 |
6.18 |
-9.05 |
-0.48 |
0 |
|
|
71924 |
48415623 |
1 |
S2O3N4C18H22 |
A2B3C4D18E22 |
-46.93 |
5.5 |
-8.94 |
-1.06 |
0 |
|
|
71925 |
48415624 |
1 |
ON5C21H21 |
AB5C21D21 |
70.55 |
2.47 |
-9.0 |
-0.92 |
0 |
|
|
71926 |
48415625 |
1 |
ON6C24H30 |
AB6C24D30 |
35.77 |
3.35 |
-8.98 |
-0.72 |
0 |
|
|
71927 |
48415626 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-36.8 |
2.51 |
-8.68 |
-0.12 |
0 |
|
|
71928 |
48415627 |
1 |
O2N5H21C22 |
A2B5C21D22 |
45.26 |
3.74 |
-8.92 |
-1.23 |
0 |
|
|
71929 |
48415628 |
1 |
O2N5C22H23 |
A2B5C22D23 |
39.37 |
3.62 |
-8.96 |
-0.73 |
0 |
|
|
71930 |
48415630 |
2 |
ClON2C10H10 |
ABC2D10E10 |
-38.58 |
4.93 |
-9.16 |
-0.84 |
0 |
|
|
71931 |
48415631 |
2 |
ON2C11H13 |
AB2C11D13 |
-41.51 |
3.48 |
-8.87 |
-0.06 |
0 |
|
|
71932 |
48415632 |
1 |
SO3N5C19H21 |
AB3C5D19E21 |
-39.47 |
7.26 |
-8.93 |
-0.72 |
0 |
|
|
71933 |
48415633 |
1 |
ON4H20C21 |
AB4C20D21 |
45.48 |
9.39 |
-8.51 |
-1.24 |
0 |
|
|
71934 |
48415634 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-54.71 |
3.72 |
-9.01 |
-0.31 |
0 |
|
|
71935 |
48415635 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-102.37 |
5.02 |
-9.0 |
-0.18 |
0 |
|
|
71936 |
48415636 |
1 |
ON7C21H25 |
AB7C21D25 |
59.25 |
7.99 |
-9.16 |
-0.84 |
0 |
|
|
71937 |
48415637 |
1 |
SO2N4H22C23 |
AB2C4D22E23 |
12.13 |
6.48 |
-8.99 |
-1.04 |
0 |
|
|
71938 |
48415638 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-9.5 |
2.32 |
-9.06 |
-1.15 |
0 |
|
|
71939 |
48415639 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-56.15 |
5.89 |
-8.65 |
-0.9 |
0 |
|
|
71940 |
48415640 |
1 |
O3N5C19H21 |
A3B5C19D21 |
8.09 |
7.85 |
-9.09 |
-1.01 |
0 |
|
|
71941 |
48415641 |
1 |
O3N4C23H24 |
A3B4C23D24 |
-63.5 |
5.48 |
-9.14 |
-0.93 |
0 |
|
|
71942 |
48415642 |
1 |
FON3C20H22 |
ABC3D20E22 |
-38.67 |
7.78 |
-8.94 |
-0.12 |
0 |
|
|
71943 |
48415643 |
1 |
OCl2N3C16H19 |
AB2C3D16E19 |
-9.93 |
1.53 |
-8.98 |
-0.16 |
0 |
|
|
71944 |
48415644 |
1 |
ON4C19H22 |
AB4C19D22 |
18.67 |
5.2 |
-9.09 |
-0.27 |
0 |
|
|
71945 |
48415645 |
1 |
OS2N3C22H25 |
AB2C3D22E25 |
19.66 |
2.09 |
-8.71 |
-0.39 |
0 |
|
|
71946 |
48415646 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-33.55 |
3.93 |
-8.96 |
-0.87 |
0 |
|
|
71947 |
48415647 |
1 |
SO2N4H22C23 |
AB2C4D22E23 |
13.86 |
7.87 |
-9.03 |
-1.05 |
0 |
|
|
71948 |
48415648 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
-24.15 |
6.87 |
-9.18 |
-0.41 |
0 |
|
|
71949 |
48415649 |
1 |
SO2N4C21H22 |
AB2C4D21E22 |
-14.56 |
2.77 |
-8.5 |
-0.35 |
0 |
|
|
71950 |
48415650 |
1 |
OF2N3H17C18 |
AB2C3D17E18 |
-75.58 |
6.81 |
-8.65 |
-1.07 |
0 |
|
|
71951 |
48415651 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
-26.21 |
3.52 |
-8.95 |
-0.63 |
0 |