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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29423 |
833703 |
1 |
ClNO4H10C17 |
ABC4D10E17 |
-1.07 |
5.56 |
-9.76 |
-1.66 |
0 |
|
|
29424 |
833704 |
1 |
ClNO4H10C17 |
ABC4D10E17 |
-1.08 |
5.56 |
-9.76 |
-1.66 |
0 |
|
|
29425 |
833710 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-105.63 |
7.76 |
-8.77 |
-0.71 |
0 |
|
|
29426 |
833712 |
1 |
FO2N4H13C19 |
AB2C4D13E19 |
32.9 |
4.81 |
-8.76 |
-1.25 |
0 |
|
|
29427 |
833713 |
1 |
BrON3H14C16 |
ABC3D14E16 |
64.93 |
11.7 |
-8.42 |
-1.5 |
0 |
|
|
29428 |
833715 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-52.78 |
4.63 |
-8.45 |
-0.8 |
0 |
|
|
29429 |
833719 |
1 |
O4N5H11C15 |
A4B5C11D15 |
60.19 |
5.01 |
-8.99 |
-1.74 |
0 |
|
|
29430 |
833720 |
1 |
SCl2N4H10C14 |
AB2C4D10E14 |
115.15 |
5.65 |
-9.45 |
-1.25 |
0 |
|
|
29431 |
833722 |
1 |
ClOSN5H8C9 |
ABCD5E8F9 |
55.38 |
2.95 |
-9.74 |
-1.41 |
0 |
|
|
29432 |
833724 |
1 |
ClON2H15C18 |
ABC2D15E18 |
40.98 |
4.7 |
-8.51 |
-1.15 |
0 |
|
|
29433 |
833754 |
1 |
SN2O2H16C17 |
AB2C2D16E17 |
-27.17 |
6.77 |
-8.64 |
-0.72 |
0 |
|
|
29434 |
833796 |
1 |
OSN2C17H22 |
ABC2D17E22 |
-23.97 |
4.52 |
-8.1 |
-0.42 |
0 |
|
|
29435 |
833797 |
1 |
O2N6C13H14 |
A2B6C13D14 |
49.53 |
3.67 |
-8.95 |
-1.03 |
0 |
|
|
29436 |
833806 |
1 |
SN2O2C17H18 |
AB2C2D17E18 |
-35.44 |
3.02 |
-8.75 |
-0.76 |
0 |
|
|
29437 |
833808 |
1 |
OSN2C16H20 |
ABC2D16E20 |
-4.95 |
2.96 |
-8.52 |
-0.52 |
0 |
|
|
29438 |
833813 |
2 |
NOSC7H7 |
ABCD7E7 |
-19.04 |
4.79 |
-8.51 |
-1.31 |
0 |
|
|
29439 |
833816 |
1 |
FOSN2C17H17 |
ABCD2E17F17 |
-44.74 |
2.53 |
-8.79 |
-1.12 |
0 |
|
|
29440 |
833820 |
1 |
ClOSN2C17H17 |
ABCD2E17F17 |
-7.83 |
3.95 |
-8.81 |
-0.93 |
0 |
|
|
29441 |
833822 |
1 |
FON2S2H9C12 |
ABC2D2E9F12 |
-19.31 |
2.94 |
-8.86 |
-1.4 |
0 |
|
|
29442 |
833825 |
1 |
ON5C13H17 |
AB5C13D17 |
37.78 |
5.19 |
-9.57 |
-0.85 |
0 |
|
|
29443 |
833831 |
1 |
NO2H17C22 |
AB2C17D22 |
17.56 |
2.32 |
-9.02 |
-1.26 |
0 |
|
|
29444 |
833835 |
1 |
ON6C15H16 |
AB6C15D16 |
111.91 |
8.02 |
-9.28 |
-0.62 |
0 |
|
|
29445 |
833863 |
1 |
OSN2C19H20 |
ABC2D19E20 |
-2.23 |
3.91 |
-8.72 |
-0.94 |
0 |
|
|
29446 |
833864 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-76.25 |
6.55 |
-8.55 |
-1.03 |
0 |
|
|
29447 |
833865 |
1 |
SN2O3C17H18 |
AB2C3D17E18 |
-82.09 |
3.22 |
-8.36 |
-0.91 |
0 |
|
|
29448 |
833869 |
1 |
BrNOF3H9C10 |
ABCD3E9F10 |
-189.19 |
4.51 |
-9.24 |
-0.78 |
0 |
|
|
29449 |
833870 |
1 |
OSN2F3H5C9 |
ABC2D3E5F9 |
-130.38 |
3.94 |
-9.7 |
-1.43 |
0 |
|
|
29450 |
833879 |
1 |
BrNO3H10C16 |
ABC3D10E16 |
-27.59 |
4.0 |
-8.94 |
-1.89 |
0 |
|
|
29451 |
833882 |
1 |
ClOSN2C14H17 |
ABCD2E14F17 |
-44.83 |
5.18 |
-8.65 |
-0.92 |
0 |
|
|
29452 |
833885 |
1 |
ClNO3H12C17 |
ABC3D12E17 |
-31.89 |
2.64 |
-9.03 |
-1.32 |
0 |
|
|
29453 |
833892 |
1 |
ON4C20H22 |
AB4C20D22 |
55.36 |
4.86 |
-8.27 |
-1.2 |
0 |
|
|
29454 |
833902 |
1 |
FOSN2H13C18 |
ABCD2E13F18 |
-8.19 |
3.09 |
-8.84 |
-1.14 |
0 |
|
|
29455 |
833907 |
1 |
OSN2C18H20 |
ABC2D18E20 |
-9.38 |
3.03 |
-8.64 |
-0.81 |
0 |
|
|
29456 |
833916 |
1 |
OSN3C13H15 |
ABC3D13E15 |
1.81 |
2.6 |
-9.01 |
-1.03 |
0 |
|
|
29457 |
833918 |
1 |
ClFSN2O2H10C16 |
ABCD2E2F10G16 |
-45.69 |
7.0 |
-9.03 |
-1.6 |
0 |
|
|
29458 |
833924 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-71.49 |
4.33 |
-8.59 |
-0.91 |
0 |
|
|
29459 |
833930 |
1 |
ClNO2H12C17 |
ABC2D12E17 |
-4.51 |
4.5 |
-9.5 |
-1.38 |
0 |
|
|
29460 |
833934 |
1 |
SN2O2H18C19 |
AB2C2D18E19 |
-12.93 |
4.48 |
-8.72 |
-1.39 |
0 |
|
|
29461 |
833937 |
1 |
ClFSN2O2H12C15 |
ABCD2E2F12G15 |
-78.08 |
5.5 |
-8.86 |
-1.37 |
0 |
|
|
29462 |
833973 |
1 |
NO3C22H23 |
AB3C22D23 |
-51.99 |
4.48 |
-8.05 |
-0.11 |
0 |
|
|
29463 |
833989 |
1 |
BrNOH12C13 |
ABCD12E13 |
7.3 |
1.77 |
-8.27 |
-0.39 |
0 |
|
|
29464 |
834037 |
1 |
ClFNOC11H15 |
ABCDE11F15 |
-94.56 |
3.46 |
-9.3 |
-0.52 |
0 |
|
|
29465 |
834044 |
1 |
ClNO3C19H24 |
ABC3D19E24 |
-97.45 |
1.65 |
-8.71 |
-0.18 |
0 |
|
|
29466 |
834045 |
1 |
ClN2O4C14H21 |
AB2C4D14E21 |
-162.31 |
3.84 |
-9.1 |
-0.47 |
0 |
|
|
29467 |
834046 |
2 |
NO2C9H15 |
AB2C9D15 |
-180.46 |
5.28 |
-8.76 |
-0.07 |
0 |
|
|
29468 |
834047 |
1 |
N3O5C16H17 |
A3B5C16D17 |
-56.59 |
3.77 |
-8.99 |
-1.34 |
0 |
|
|
29469 |
834048 |
1 |
NO2C22H23 |
AB2C22D23 |
-2.14 |
2.94 |
-8.38 |
0.11 |
0 |
|
|
29470 |
834049 |
1 |
NSH17C18 |
ABC17D18 |
79.36 |
1.56 |
-9.12 |
-0.26 |
0 |
|
|
29471 |
834062 |
1 |
ClN2O3H13C17 |
AB2C3D13E17 |
-35.65 |
6.02 |
-8.83 |
-1.48 |
0 |
|
|
29472 |
834065 |
1 |
ClN3O4H10C16 |
AB3C4D10E16 |
6.0 |
3.89 |
-9.15 |
-1.74 |
0 |
|
|
29473 |
834067 |
1 |
ClN3O4H10C16 |
AB3C4D10E16 |
5.14 |
4.57 |
-9.22 |
-1.75 |
0 |
|
|
29474 |
834077 |
1 |
ClNO3C19H24 |
ABC3D19E24 |
-94.72 |
2.22 |
-8.43 |
-0.11 |
0 |
|
|
29475 |
834079 |
1 |
FNOC19H22 |
ABCD19E22 |
-51.12 |
2.97 |
-8.69 |
-0.4 |
0 |
|
|
29476 |
834081 |
1 |
BrNO2H14C16 |
ABC2D14E16 |
-30.11 |
3.68 |
-9.02 |
-0.25 |
0 |
|
|
29477 |
834083 |
1 |
ClNC12H16 |
ABC12D16 |
0.22 |
3.02 |
-9.13 |
-0.05 |
0 |
|
|
29478 |
834086 |
1 |
NCl2C12H15 |
AB2C12D15 |
-8.65 |
2.43 |
-9.24 |
-0.4 |
0 |
|
|
29479 |
834088 |
1 |
NCl2C12H15 |
AB2C12D15 |
-7.36 |
1.32 |
-8.97 |
-0.44 |
0 |
|
|
29480 |
834091 |
1 |
O3N5C16H23 |
A3B5C16D23 |
-61.29 |
3.07 |
-8.87 |
-0.29 |
0 |
|
|
29481 |
834099 |
1 |
FNOC22H22 |
ABCD22E22 |
-17.78 |
1.85 |
-8.84 |
-0.26 |
0 |
|
|
29482 |
834102 |
1 |
NSC14H17 |
ABC14D17 |
36.47 |
0.65 |
-8.77 |
0.02 |
0 |
|
|
29483 |
834131 |
1 |
BrON2H15C17 |
ABC2D15E17 |
49.53 |
4.38 |
-9.02 |
-0.84 |
0 |
|
|
29484 |
834177 |
1 |
FO2N5H10C16 |
AB2C5D10E16 |
9.62 |
2.58 |
-9.06 |
-1.26 |
0 |
|
|
29485 |
834213 |
1 |
BrNOSC13H14 |
ABCDE13F14 |
15.85 |
3.79 |
-8.96 |
-0.21 |
0 |
|
|
29486 |
834233 |
1 |
BrNOC12H16 |
ABCD12E16 |
-24.97 |
2.99 |
-9.21 |
-0.02 |
0 |
|
|
29487 |
834234 |
2 |
OC8H11 |
AB8C11 |
-92.86 |
4.69 |
-9.55 |
-0.45 |
0 |
|
|
29488 |
834248 |
1 |
BrNO2C17H18 |
ABC2D17E18 |
-64.26 |
5.78 |
-8.99 |
-0.2 |
0 |
|
|
29489 |
834256 |
1 |
ClON2C17H25 |
ABC2D17E25 |
-54.01 |
6.89 |
-8.85 |
-0.08 |
0 |
|
|
29490 |
834258 |
1 |
SN2C14H18 |
AB2C14D18 |
54.27 |
2.3 |
-8.1 |
-0.02 |
0 |
|
|
29491 |
834259 |
1 |
FNSC12H12 |
ABCD12E12 |
6.01 |
2.33 |
-9.16 |
-0.24 |
0 |
|
|
29492 |
834375 |
1 |
SN2O3C13H14 |
AB2C3D13E14 |
-68.77 |
4.76 |
-9.46 |
-1.11 |
0 |
|
|
29493 |
834390 |
1 |
N2H18C19 |
A2B18C19 |
81.68 |
3.21 |
-9.11 |
-0.12 |
0 |
|
|
29494 |
834396 |
1 |
ClFNOC16H17 |
ABCDE16F17 |
-56.06 |
5.69 |
-8.85 |
-0.15 |
0 |
|
|
29495 |
834418 |
1 |
BrFNH13C14 |
ABCD13E14 |
2.46 |
2.92 |
-9.38 |
-0.27 |
0 |
|
|
29496 |
834438 |
1 |
OSCl2N3H7C13 |
ABC2D3E7F13 |
29.81 |
4.93 |
-8.96 |
-1.56 |
0 |
|
|
29497 |
834440 |
1 |
OSCl2N2C12H12 |
ABC2D2E12F12 |
-34.02 |
6.68 |
-8.8 |
-0.87 |
0 |
|
|
29498 |
834450 |
1 |
BrFNOC15H15 |
ABCDE15F15 |
-37.7 |
5.11 |
-8.97 |
-0.15 |
0 |
|
|
29499 |
834464 |
1 |
ClON4H17C18 |
ABC4D17E18 |
46.01 |
7.25 |
-9.82 |
-1.47 |
0 |
|
|
29500 |
834495 |
1 |
ClNO3C19H24 |
ABC3D19E24 |
-97.42 |
3.71 |
-8.87 |
-0.13 |
0 |
|
|
29501 |
834497 |
1 |
ClSN2O2C17H17 |
ABC2D2E17F17 |
-22.52 |
6.07 |
-8.56 |
-0.58 |
0 |
|
|
29502 |
834499 |
1 |
ClOSN2C18H21 |
ABCD2E18F21 |
1.82 |
3.38 |
-8.28 |
-0.53 |
0 |
|
|
29503 |
834507 |
1 |
ClNOC16H18 |
ABCD16E18 |
-10.97 |
3.93 |
-9.32 |
-0.18 |
0 |
|
|
29504 |
834516 |
1 |
BrN2C13H13 |
AB2C13D13 |
59.47 |
1.78 |
-9.36 |
-0.26 |
0 |
|
|
29505 |
834518 |
1 |
NOSC16H19 |
ABCD16E19 |
-0.39 |
2.59 |
-8.55 |
-0.12 |
0 |
|
|
29506 |
834550 |
1 |
SN2C15H22 |
AB2C15D22 |
19.84 |
3.39 |
-8.5 |
-0.1 |
0 |
|
|
29507 |
834589 |
1 |
FNC15H16 |
ABC15D16 |
-16.84 |
0.82 |
-8.08 |
-0.18 |
0 |
|
|
29508 |
834594 |
1 |
ClN5C9H10 |
AB5C9D10 |
95.82 |
6.43 |
-9.71 |
-0.66 |
0 |
|
|
29509 |
834601 |
1 |
NSC12H19 |
ABC12D19 |
1.05 |
2.23 |
-8.15 |
0.3 |
0 |
|
|
29510 |
834611 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-52.3 |
3.38 |
-8.96 |
-0.39 |
0 |
|
|
29511 |
834614 |
1 |
FON2C21H27 |
ABC2D21E27 |
-49.88 |
5.47 |
-8.67 |
0.06 |
0 |
|
|
29512 |
834616 |
1 |
ClO2N6C14H17 |
AB2C6D14E17 |
8.96 |
1.84 |
-9.14 |
-0.64 |
0 |
|
|
29513 |
834619 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-60.6 |
2.27 |
-8.95 |
-0.01 |
0 |
|
|
29514 |
834627 |
1 |
SN2C13H16 |
AB2C13D16 |
32.38 |
5.17 |
-8.3 |
-0.33 |
0 |
|
|
29515 |
834637 |
1 |
ClNOSC15H16 |
ABCDE15F16 |
0.44 |
2.93 |
-8.12 |
-0.12 |
0 |
|
|
29516 |
834639 |
1 |
BrNSC14H14 |
ABCD14E14 |
48.49 |
3.33 |
-8.53 |
-0.46 |
0 |
|
|
29517 |
834640 |
2 |
NOSC7H8 |
ABCD7E8 |
-32.02 |
7.61 |
-8.88 |
-0.67 |
0 |
|
|
29518 |
834641 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-99.03 |
4.03 |
-8.43 |
0.31 |
0 |
|
|
29519 |
834684 |
1 |
NO3C18H23 |
AB3C18D23 |
-87.86 |
3.33 |
-8.74 |
0.26 |
0 |
|
|
29520 |
834688 |
1 |
NO4C17H19 |
AB4C17D19 |
-109.55 |
8.83 |
-8.59 |
-0.5 |
0 |
|
|
29521 |
834701 |
1 |
BrNO2C12H18 |
ABC2D12E18 |
-68.74 |
2.21 |
-8.95 |
-0.21 |
0 |
|
|
29522 |
834706 |
1 |
FON2C17H19 |
ABC2D17E19 |
-37.29 |
2.4 |
-7.79 |
-0.26 |
0 |