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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
122662 |
50816361 |
1 |
ClFSO2N4H18C21 |
ABCD2E4F18G21 |
-35.1 |
4.4 |
-9.17 |
-1.61 |
0 |
|
|
122663 |
50816389 |
1 |
FSO3N4H21C22 |
ABC3D4E21F22 |
-71.12 |
2.22 |
-8.54 |
-1.62 |
0 |
|
|
122664 |
50816414 |
1 |
FSO2N4C16H17 |
ABC2D4E16F17 |
-65.23 |
3.81 |
-9.29 |
-1.78 |
0 |
|
|
122665 |
50816415 |
1 |
FSO2N4H19C21 |
ABC2D4E19F21 |
-28.88 |
2.55 |
-9.28 |
-1.74 |
0 |
|
|
122666 |
50816567 |
1 |
F2S2O3N4H18C20 |
A2B2C3D4E18F20 |
-111.88 |
5.44 |
-9.42 |
-1.88 |
0 |
|
|
122667 |
50816596 |
1 |
ClS2O3N4C21H21 |
AB2C3D4E21F21 |
-37.23 |
2.46 |
-8.61 |
-0.98 |
0 |
|
|
122668 |
50816597 |
1 |
FS2O3N4C21H21 |
AB2C3D4E21F21 |
-76.24 |
6.64 |
-8.46 |
-1.13 |
0 |
|
|
122669 |
50816601 |
1 |
FS2O3N4H19C20 |
AB2C3D4E19F20 |
-67.08 |
3.3 |
-9.14 |
-1.76 |
0 |
|
|
122670 |
50816628 |
1 |
ClS2O4N5C19H20 |
AB2C4D5E19F20 |
-59.56 |
5.43 |
-9.07 |
-1.77 |
0 |
|
|
122671 |
50816669 |
1 |
ClS2O3N4H19C20 |
AB2C3D4E19F20 |
-28.52 |
2.98 |
-9.37 |
-1.86 |
0 |
|
|
122672 |
50816798 |
1 |
ClO2N3C25H28 |
AB2C3D25E28 |
-58.79 |
5.74 |
-8.94 |
-0.7 |
0 |
|
|
122673 |
50816820 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-102.72 |
6.36 |
-8.74 |
-0.3 |
0 |
|
|
122674 |
50816869 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-108.67 |
2.46 |
-8.42 |
-0.4 |
0 |
|
|
122675 |
50816870 |
2 |
N2O2C12H15 |
A2B2C12D15 |
-103.49 |
2.17 |
-8.49 |
-0.39 |
0 |
|
|
122676 |
50816871 |
1 |
SN3O3C25H31 |
AB3C3D25E31 |
-87.99 |
4.49 |
-8.35 |
-0.22 |
0 |
|
|
122677 |
50816872 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-71.23 |
3.15 |
-8.54 |
-0.4 |
0 |
|
|
122678 |
50816873 |
1 |
ClO2N4C22H23 |
AB2C4D22E23 |
-34.33 |
4.52 |
-8.96 |
-0.62 |
0 |
|
|
122679 |
50816874 |
1 |
ClN3O3C22H30 |
AB3C3D22E30 |
-133.68 |
5.63 |
-8.85 |
-0.73 |
0 |
|
|
122680 |
50817025 |
1 |
FSO2N4C19H23 |
ABC2D4E19F23 |
-84.06 |
1.52 |
-9.45 |
-1.93 |
0 |
|
|
122681 |
50817112 |
1 |
ClSO3N5C23H24 |
ABC3D5E23F24 |
-40.98 |
1.29 |
-9.06 |
-1.87 |
0 |
|
|
122682 |
50817234 |
1 |
ClO2S2N4H21C22 |
AB2C2D4E21F22 |
3.99 |
1.01 |
-9.12 |
-1.84 |
0 |
|
|
122683 |
50817235 |
1 |
SO2N4C23H24 |
AB2C4D23E24 |
-2.65 |
4.72 |
-8.85 |
-1.62 |
0 |
|
|
122684 |
50817236 |
1 |
SO2N4C23H24 |
AB2C4D23E24 |
-4.91 |
3.56 |
-8.86 |
-1.69 |
0 |
|
|
122685 |
50817237 |
1 |
FO2S2N4H17C19 |
AB2C2D4E17F19 |
-27.87 |
6.84 |
-9.3 |
-1.73 |
0 |
|
|
122686 |
50817366 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-127.53 |
3.72 |
-8.39 |
-0.55 |
0 |
|
|
122687 |
50817367 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-72.07 |
7.55 |
-8.24 |
0.12 |
0 |
|
|
122688 |
50817368 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-47.64 |
6.83 |
-8.27 |
-0.38 |
0 |
|
|
122689 |
50817369 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-108.28 |
4.28 |
-8.66 |
-0.25 |
0 |
|
|
122690 |
50817370 |
1 |
FN3O3C20H22 |
AB3C3D20E22 |
-112.13 |
0.69 |
-8.7 |
-0.89 |
0 |
|
|
122691 |
50817371 |
1 |
FN3O3C20H22 |
AB3C3D20E22 |
-108.73 |
3.3 |
-8.63 |
-0.99 |
0 |
|
|
122692 |
50817372 |
1 |
ClF2N3O3C20H20 |
AB2C3D3E20F20 |
-157.86 |
3.82 |
-9.12 |
-1.1 |
0 |
|
|
122693 |
50817373 |
1 |
ClFN3O3C20H21 |
ABC3D3E20F21 |
-112.5 |
2.08 |
-8.91 |
-0.89 |
0 |
|
|
122694 |
50817374 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-55.91 |
6.3 |
-8.15 |
-0.16 |
0 |
|
|
122695 |
50817375 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-116.77 |
3.7 |
-8.68 |
0.02 |
0 |
|
|
122696 |
50817376 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-40.85 |
4.7 |
-8.47 |
-0.53 |
0 |
|
|
122697 |
50817377 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-83.48 |
5.38 |
-8.48 |
-0.74 |
0 |
|
|
122698 |
50817568 |
1 |
FO3N4H21C22 |
AB3C4D21E22 |
-61.67 |
6.07 |
-8.62 |
-0.76 |
0 |
|
|
122699 |
50817676 |
1 |
ClN3O4C22H26 |
AB3C4D22E26 |
-116.73 |
3.73 |
-8.74 |
-0.5 |
0 |
|
|
122700 |
50817682 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
-45.48 |
8.02 |
-8.51 |
-0.52 |
0 |
|
|
122701 |
50817727 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-60.97 |
7.46 |
-8.16 |
-0.69 |
0 |
|
|
122702 |
50817749 |
1 |
O2N5C25H27 |
A2B5C25D27 |
-18.67 |
7.11 |
-8.26 |
-0.7 |
0 |
|
|
122703 |
50817802 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-14.17 |
3.05 |
-9.5 |
-1.3 |
0 |
|
|
122704 |
50817872 |
1 |
F2O3N4C24H24 |
A2B3C4D24E24 |
-113.33 |
7.99 |
-9.62 |
-1.38 |
0 |
|
|
122705 |
50817903 |
1 |
FO3N4H21C23 |
AB3C4D21E23 |
-72.58 |
2.98 |
-9.24 |
-0.71 |
0 |
|
|
122706 |
50817904 |
1 |
ClO3N4H25C27 |
AB3C4D25E27 |
-4.06 |
5.56 |
-9.33 |
-1.38 |
0 |
|
|
122707 |
50818060 |
1 |
ClO2N5C23H24 |
AB2C5D23E24 |
14.13 |
6.39 |
-8.2 |
-0.32 |
0 |
|
|
122708 |
50818070 |
1 |
ClN4O4C25H27 |
AB4C4D25E27 |
-66.44 |
1.32 |
-9.12 |
-1.29 |
0 |
|
|
122709 |
50818125 |
1 |
O2N5H21C22 |
A2B5C21D22 |
10.18 |
4.4 |
-8.4 |
-0.77 |
0 |
|
|
122710 |
50818131 |
1 |
ClN4O4C23H23 |
AB4C4D23E23 |
-63.49 |
2.54 |
-8.74 |
-0.59 |
0 |
|
|
122711 |
50818132 |
1 |
ClO3N5H22C23 |
AB3C5D22E23 |
-30.9 |
6.65 |
-8.41 |
-0.76 |
0 |
|
|
122712 |
50818283 |
1 |
ON4C22H22 |
AB4C22D22 |
46.78 |
4.8 |
-8.61 |
-0.71 |
0 |
|
|
122713 |
50818478 |
1 |
O3N4C26H28 |
A3B4C26D28 |
-47.79 |
8.29 |
-8.56 |
-0.63 |
0 |
|
|
122714 |
50818488 |
1 |
F2O2N4H18C21 |
A2B2C4D18E21 |
-77.41 |
6.04 |
-8.91 |
-0.96 |
0 |
|
|
122715 |
50818489 |
1 |
F2O3N4H20C22 |
A2B3C4D20E22 |
-119.05 |
5.8 |
-8.98 |
-0.84 |
0 |
|
|
122716 |
50818558 |
1 |
ClO2N4H21C22 |
AB2C4D21E22 |
10.18 |
7.9 |
-8.28 |
-0.61 |
0 |
|
|
122717 |
50818559 |
1 |
ClO3N4H21C22 |
AB3C4D21E22 |
-17.82 |
5.07 |
-8.78 |
-0.5 |
0 |
|
|
122718 |
50818560 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-31.17 |
3.4 |
-8.71 |
-0.42 |
0 |
|
|
122719 |
50818561 |
1 |
ClO3N4H21C23 |
AB3C4D21E23 |
-39.24 |
1.87 |
-9.24 |
-1.02 |
0 |
|
|
122720 |
50818562 |
1 |
OF2N4H18C21 |
AB2C4D18E21 |
-36.05 |
2.02 |
-8.86 |
-1.19 |
0 |
|
|
122721 |
50818563 |
1 |
FON4H19C21 |
ABC4D19E21 |
5.81 |
2.2 |
-8.81 |
-0.92 |
0 |
|
|
122722 |
50818627 |
1 |
FSO3N5C22H22 |
ABC3D5E22F22 |
-71.04 |
2.83 |
-8.58 |
-1.74 |
0 |
|
|
122723 |
50818628 |
1 |
FSO3N5C23H24 |
ABC3D5E23F24 |
-75.82 |
5.3 |
-8.36 |
-1.77 |
0 |
|
|
122724 |
50818629 |
1 |
ClS2N4O4C21H21 |
AB2C4D4E21F21 |
-64.98 |
4.33 |
-8.62 |
-1.72 |
0 |
|
|
122725 |
50818667 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-55.8 |
4.5 |
-9.55 |
-1.24 |
0 |
|
|
122726 |
50818759 |
1 |
O3N5C20H21 |
A3B5C20D21 |
-4.71 |
5.34 |
-8.8 |
-1.3 |
0 |
|
|
122727 |
50818770 |
1 |
FS2O3N4H19C20 |
AB2C3D4E19F20 |
-66.2 |
4.72 |
-9.1 |
-1.67 |
0 |
|
|
122728 |
50818917 |
1 |
Cl2O3N5H19C20 |
A2B3C5D19E20 |
-22.62 |
2.43 |
-9.02 |
-1.39 |
0 |
|
|
122729 |
50819185 |
1 |
ClON5H20C22 |
ABC5D20E22 |
82.71 |
4.17 |
-9.31 |
-0.8 |
0 |
|
|
122730 |
50819247 |
1 |
O2F3N4C23H27 |
A2B3C4D23E27 |
-191.82 |
2.85 |
-8.57 |
-1.12 |
0 |
|
|
122731 |
50819370 |
1 |
ClN4O4C23H27 |
AB4C4D23E27 |
-113.67 |
2.42 |
-8.68 |
-1.44 |
0 |
|
|
122732 |
50819438 |
1 |
O2N4H20C25 |
A2B4C20D25 |
78.63 |
4.66 |
-9.29 |
-0.96 |
0 |
|
|
122733 |
50819483 |
1 |
FO2N4C21H25 |
AB2C4D21E25 |
-67.94 |
6.37 |
-8.6 |
-0.71 |
0 |
|
|
122734 |
50819588 |
1 |
FO2N4C22H27 |
AB2C4D22E27 |
-70.85 |
1.81 |
-8.54 |
-0.79 |
0 |
|
|
122735 |
50819658 |
1 |
OF3N6H25C26 |
AB3C6D25E26 |
-80.52 |
7.17 |
-9.08 |
-1.28 |
0 |
|
|
122736 |
50819659 |
1 |
OF3N6H25C26 |
AB3C6D25E26 |
-82.17 |
11.95 |
-8.8 |
-1.06 |
0 |
|
|
122737 |
50819660 |
1 |
ON6C25H32 |
AB6C25D32 |
31.07 |
4.25 |
-8.74 |
-1.01 |
0 |
|
|
122738 |
50819941 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-89.02 |
4.83 |
-8.78 |
-0.51 |
0 |
|
|
122739 |
50819942 |
1 |
ClF2O2N4C21H23 |
AB2C2D4E21F23 |
-116.81 |
3.32 |
-8.82 |
-1.08 |
0 |
|
|
122740 |
50819983 |
1 |
ClF2N3O3C20H20 |
AB2C3D3E20F20 |
-155.91 |
4.0 |
-8.59 |
-1.21 |
0 |
|
|
122741 |
50820056 |
1 |
N4O5C24H28 |
A4B5C24D28 |
-152.09 |
9.24 |
-7.95 |
-0.67 |
0 |
|
|
122742 |
50820057 |
1 |
ClN3O4C22H26 |
AB3C4D22E26 |
-120.76 |
5.47 |
-8.9 |
-0.18 |
0 |
|
|
122743 |
50820058 |
1 |
ClO3N4C22H25 |
AB3C4D22E25 |
-88.71 |
4.21 |
-8.71 |
-0.49 |
0 |
|
|
122744 |
50820091 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-76.92 |
4.02 |
-8.61 |
-0.91 |
0 |
|
|
122745 |
50820275 |
1 |
N3O4C24H29 |
A3B4C24D29 |
-113.2 |
5.88 |
-8.09 |
-0.58 |
0 |
|
|
122746 |
50820286 |
1 |
ClO3N4C22H27 |
AB3C4D22E27 |
-69.92 |
5.71 |
-8.32 |
-0.57 |
0 |
|
|
122747 |
50820361 |
1 |
SN2O3C25H26 |
AB2C3D25E26 |
-46.07 |
3.29 |
-8.72 |
-0.62 |
0 |
|
|
122748 |
50820393 |
1 |
FOSN3C19H24 |
ABCD3E19F24 |
-47.04 |
3.54 |
-8.79 |
-0.92 |
0 |
|
|
122749 |
50820400 |
1 |
OSN3C22H29 |
ABC3D22E29 |
-12.48 |
4.34 |
-8.7 |
-0.8 |
0 |
|
|
122750 |
50820401 |
1 |
ClFSN2O3C21H24 |
ABCD2E3F21G24 |
-133.02 |
3.06 |
-9.01 |
-1.24 |
0 |
|
|
122751 |
50820411 |
1 |
SN2O4C22H26 |
AB2C4D22E26 |
-111.96 |
5.56 |
-9.4 |
-0.45 |
0 |
|
|
122752 |
50820429 |
1 |
OSN3C21H27 |
ABC3D21E27 |
-9.33 |
3.07 |
-8.76 |
-0.73 |
0 |
|
|
122753 |
50820430 |
1 |
OSN6C21H28 |
ABC6D21E28 |
28.06 |
6.99 |
-8.86 |
-0.77 |
0 |
|
|
122754 |
50820431 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-75.25 |
7.88 |
-7.99 |
-0.16 |
0 |
|
|
122755 |
50820432 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-79.55 |
4.97 |
-8.86 |
-0.88 |
0 |
|
|
122756 |
50820433 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-89.79 |
5.7 |
-8.57 |
-0.68 |
0 |
|
|
122757 |
50820434 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-150.1 |
7.94 |
-8.52 |
-0.9 |
0 |
|
|
122758 |
50820435 |
1 |
SN2O5C21H26 |
AB2C5D21E26 |
-148.29 |
6.89 |
-8.72 |
-0.79 |
0 |
|
|
122759 |
50820436 |
1 |
SN2O5C25H26 |
AB2C5D25E26 |
-108.44 |
8.78 |
-8.56 |
-0.89 |
0 |
|
|
122760 |
50820437 |
1 |
SN2O5C25H26 |
AB2C5D25E26 |
-106.57 |
4.59 |
-8.68 |
-0.66 |
0 |
|
|
122761 |
50820438 |
1 |
SN2O5C22H28 |
AB2C5D22E28 |
-151.62 |
7.1 |
-8.9 |
-0.87 |
0 |