List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
136612 |
52074114 |
1 |
O3N4C30H38 |
A3B4C30D38 |
-64.04 |
2.84 |
-8.35 |
-0.24 |
1 |
|
|
136613 |
52074133 |
1 |
N3O3C22H32 |
A3B3C22D32 |
-88.76 |
6.85 |
0.0 |
0.0 |
0 |
|
|
136614 |
52074134 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-107.57 |
3.43 |
-8.47 |
-0.34 |
1 |
|
|
136615 |
52074135 |
1 |
N3O3C23H34 |
A3B3C23D34 |
-85.91 |
6.18 |
0.0 |
0.0 |
0 |
|
|
136616 |
52074190 |
1 |
N3O5C29H37 |
A3B5C29D37 |
-150.07 |
3.61 |
-8.12 |
-0.4 |
1 |
|
|
136617 |
52074191 |
1 |
N3O5C26H30 |
A3B5C26D30 |
-104.64 |
6.78 |
0.0 |
0.0 |
1 |
|
|
136618 |
52074211 |
1 |
ClFN3O3C25H28 |
ABC3D3E25F28 |
-96.31 |
7.57 |
0.0 |
0.0 |
1 |
|
|
136619 |
52074585 |
1 |
N3O4C28H36 |
A3B4C28D36 |
-92.09 |
7.73 |
0.0 |
0.0 |
0 |
|
|
136620 |
52075028 |
1 |
N3O5C24H35 |
A3B5C24D35 |
-173.94 |
3.6 |
-8.3 |
-0.38 |
1 |
|
|
136621 |
52075029 |
1 |
N3O5C25H38 |
A3B5C25D38 |
-172.29 |
6.65 |
0.0 |
0.0 |
1 |
|
|
136622 |
52075031 |
1 |
N3O5C26H40 |
A3B5C26D40 |
-177.61 |
6.32 |
0.0 |
0.0 |
2 |
|
|
136623 |
52075043 |
1 |
N4O4C27H44 |
A4B4C27D44 |
-111.46 |
10.88 |
-5.76 |
0.02 |
0 |
|
|
136624 |
52075044 |
1 |
N4O4C27H42 |
A4B4C27D42 |
-139.13 |
5.8 |
-8.18 |
-0.23 |
1 |
|
|
136625 |
52075261 |
1 |
O3N4C26H33 |
A3B4C26D33 |
-45.99 |
4.58 |
0.0 |
0.0 |
1 |
|
|
136626 |
52075461 |
1 |
ClO2N4C28H34 |
AB2C4D28E34 |
-9.38 |
21.66 |
0.0 |
0.0 |
1 |
|
|
136627 |
52075807 |
1 |
ClSO2N4C20H26 |
ABC2D4E20F26 |
-22.3 |
9.84 |
0.0 |
0.0 |
0 |
|
|
136628 |
52075808 |
1 |
ClSO2N4C20H25 |
ABC2D4E20F25 |
-32.76 |
4.3 |
-8.87 |
-1.31 |
1 |
|
|
136629 |
52075809 |
1 |
ClSO2N4C20H26 |
ABC2D4E20F26 |
-26.96 |
12.18 |
0.0 |
0.0 |
0 |
|
|
136630 |
52075810 |
1 |
ClSO2N4C20H25 |
ABC2D4E20F25 |
-30.52 |
6.42 |
-8.82 |
-1.16 |
0 |
|
|
136631 |
52075860 |
1 |
OSCl2N4C19H22 |
ABC2D4E19F22 |
-1.24 |
4.53 |
-9.12 |
-1.17 |
0 |
|
|
136632 |
52076080 |
1 |
ClSO2N4C22H29 |
ABC2D4E22F29 |
-42.02 |
4.87 |
-8.9 |
-1.26 |
1 |
|
|
136633 |
52076335 |
1 |
ClOSN4C27H32 |
ABCD4E27F32 |
26.49 |
3.38 |
0.0 |
0.0 |
0 |
|
|
136634 |
52076391 |
1 |
SCl2O2N4C25H26 |
AB2C2D4E25F26 |
-13.57 |
3.33 |
-9.26 |
-1.39 |
1 |
|
|
136635 |
52076449 |
1 |
ClOSN4C29H38 |
ABCD4E29F38 |
16.73 |
18.66 |
0.0 |
0.0 |
0 |
|
|
136636 |
52076450 |
1 |
ClOSN4C29H37 |
ABCD4E29F37 |
-1.05 |
4.82 |
-8.86 |
-1.16 |
1 |
|
|
136637 |
52076451 |
1 |
ClOSN4C30H38 |
ABCD4E30F38 |
3.53 |
6.25 |
0.0 |
0.0 |
0 |
|
|
136638 |
52076452 |
1 |
ClOSN4C30H37 |
ABCD4E30F37 |
-1.1 |
5.38 |
-8.77 |
-1.23 |
0 |
|
|
136639 |
52076504 |
1 |
ClFOSN4C23H24 |
ABCDE4F23G24 |
-13.13 |
4.22 |
-8.98 |
-1.39 |
1 |
|
|
136640 |
52076521 |
1 |
FOSCl2N4C24H24 |
ABCD2E4F24G24 |
-8.92 |
8.74 |
0.0 |
0.0 |
1 |
|
|
136641 |
52077185 |
1 |
ClSO3N5C21H31 |
ABC3D5E21F31 |
-65.54 |
27.48 |
0.0 |
0.0 |
0 |
|
|
136642 |
52077272 |
1 |
SCl2O3N4C22H22 |
AB2C3D4E22F22 |
-39.47 |
6.22 |
-9.3 |
-1.79 |
0 |
|
|
136643 |
52077366 |
1 |
ClSO3N4C26H29 |
ABC3D4E26F29 |
-52.44 |
6.63 |
-9.17 |
-1.62 |
1 |
|
|
136644 |
52077367 |
1 |
ClSO3N4C26H30 |
ABC3D4E26F30 |
-47.73 |
26.13 |
0.0 |
0.0 |
0 |
|
|
136645 |
52077368 |
1 |
ClSO3N4C26H29 |
ABC3D4E26F29 |
-53.76 |
5.85 |
-9.14 |
-1.61 |
0 |
|
|
136646 |
52077496 |
1 |
F2N3O3H17C18 |
A2B3C3D17E18 |
-89.88 |
1.61 |
-9.11 |
-1.38 |
0 |
|
|
136647 |
52078303 |
1 |
FS2N3O5C23H28 |
AB2C3D5E23F28 |
-213.77 |
11.36 |
-9.64 |
-0.28 |
0 |
|
|
136648 |
52078663 |
1 |
ClSN4O4C24H31 |
ABC4D4E24F31 |
-127.0 |
7.86 |
-8.98 |
-0.14 |
1 |
|
|
136649 |
52078758 |
1 |
S2O3N4C23H33 |
A2B3C4D23E33 |
-82.38 |
5.11 |
0.0 |
0.0 |
0 |
|
|
136650 |
52078799 |
1 |
S2N3O3C23H25 |
A2B3C3D23E25 |
-44.17 |
4.09 |
-8.6 |
-0.02 |
0 |
|
|
136651 |
52078800 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-138.45 |
5.22 |
-8.84 |
0.17 |
0 |
|
|
136652 |
52078912 |
1 |
S2N4O5C24H26 |
A2B4C5D24E26 |
-111.27 |
8.58 |
-8.28 |
-0.58 |
0 |
|
|
136653 |
52078913 |
1 |
S2N4O5C24H26 |
A2B4C5D24E26 |
-110.97 |
3.29 |
-8.38 |
-0.71 |
0 |
|
|
136654 |
52078914 |
1 |
ClSO2N4C17H17 |
ABC2D4E17F17 |
39.63 |
1.65 |
-8.95 |
-1.2 |
0 |
|
|
136655 |
52078915 |
1 |
ClSO2N4C18H19 |
ABC2D4E18F19 |
28.52 |
2.3 |
-8.93 |
-1.02 |
0 |
|
|
136656 |
52078916 |
1 |
SCl2O2N4H16C17 |
AB2C2D4E16F17 |
30.22 |
0.98 |
-9.15 |
-1.43 |
0 |
|
|
136657 |
52078917 |
1 |
SCl2O2N4H16C17 |
AB2C2D4E16F17 |
33.62 |
2.41 |
-9.01 |
-1.39 |
0 |
|
|
136658 |
52079320 |
1 |
NSO4C21H23 |
ABC4D21E23 |
-129.89 |
7.65 |
-8.99 |
-0.57 |
0 |
|
|
136659 |
52080236 |
1 |
SO3N7H11C17 |
AB3C7D11E17 |
135.4 |
10.74 |
-9.34 |
-1.97 |
0 |
|
|
136660 |
52080675 |
1 |
FSO2N3C20H20 |
ABC2D3E20F20 |
-53.17 |
3.22 |
-8.62 |
-0.95 |
0 |
|
|
136661 |
52080949 |
1 |
FSN3O3H18C22 |
ABC3D3E18F22 |
-49.57 |
5.36 |
-8.61 |
-0.99 |
0 |
|
|
136662 |
52081493 |
1 |
NOS2C19H19 |
ABC2D19E19 |
9.03 |
4.16 |
-8.41 |
-0.41 |
0 |
|
|
136663 |
52082023 |
1 |
FSO5H17C19 |
ABC5D17E19 |
-195.53 |
6.99 |
-9.46 |
-0.94 |
0 |
|
|
136664 |
52082351 |
1 |
SN3O3C23H23 |
AB3C3D23E23 |
-30.02 |
8.26 |
-9.18 |
-0.55 |
0 |
|
|
136665 |
52082503 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-65.0 |
4.21 |
-9.16 |
-0.8 |
0 |
|
|
136666 |
52082760 |
1 |
ClN2O3C21H23 |
AB2C3D21E23 |
-82.45 |
3.4 |
-8.59 |
-0.18 |
0 |
|
|
136667 |
52082761 |
2 |
NO2C11H13 |
AB2C11D13 |
-107.57 |
6.02 |
-8.08 |
-0.02 |
0 |
|
|
136668 |
52083070 |
1 |
NSF3O3H20C23 |
ABC3D3E20F23 |
-206.9 |
3.17 |
-8.7 |
-0.85 |
0 |
|
|
136669 |
52083071 |
1 |
N2O3C27H30 |
A2B3C27D30 |
-61.29 |
4.32 |
-8.52 |
-0.32 |
0 |
|
|
136670 |
52083322 |
1 |
ClSO2N5H16C19 |
ABC2D5E16F19 |
54.91 |
6.99 |
-9.06 |
-1.33 |
0 |
|
|
136671 |
52083359 |
1 |
ClOSN5H12C17 |
ABCD5E12F17 |
99.93 |
4.02 |
-9.33 |
-1.54 |
0 |
|
|
136672 |
52083403 |
1 |
SO3N5H19C20 |
AB3C5D19E20 |
30.11 |
9.0 |
-8.77 |
-1.13 |
0 |
|
|
136673 |
52083495 |
1 |
FOSCl2N5H14C17 |
ABCD2E5F14G17 |
44.42 |
8.27 |
-9.12 |
-1.38 |
0 |
|
|
136674 |
52083496 |
1 |
FOSCl2N5H14C17 |
ABCD2E5F14G17 |
45.88 |
9.76 |
-9.06 |
-1.3 |
0 |
|
|
136675 |
52083497 |
1 |
FSO2N5H14C18 |
ABC2D5E14F18 |
12.66 |
14.14 |
-8.74 |
-1.38 |
0 |
|
|
136676 |
52083710 |
1 |
ClFSO2N5H11C17 |
ABCD2E5F11G17 |
31.1 |
9.04 |
-8.9 |
-1.54 |
0 |
|
|
136677 |
52083711 |
1 |
SCl2O3N5H13C18 |
AB2C3D5E13F18 |
29.52 |
3.8 |
-9.15 |
-1.78 |
0 |
|
|
136678 |
52083793 |
1 |
ClSO3N5H20C21 |
ABC3D5E20F21 |
18.53 |
10.37 |
-8.87 |
-1.52 |
0 |
|
|
136679 |
52084380 |
1 |
NOSC10H21 |
ABCD10E21 |
-83.44 |
2.63 |
-8.64 |
0.64 |
0 |
|
|
136680 |
52084497 |
1 |
Cl2S2N3O3C17H17 |
A2B2C3D3E17F17 |
-52.35 |
11.59 |
-9.32 |
-1.06 |
0 |
|
|
136681 |
52084498 |
1 |
Cl2S2N3O3C17H17 |
A2B2C3D3E17F17 |
-52.91 |
7.92 |
-9.3 |
-1.1 |
0 |
|
|
136682 |
52084719 |
1 |
ClS2N3O5H16C18 |
AB2C3D5E16F18 |
-105.72 |
10.01 |
-9.25 |
-1.3 |
0 |
|
|
136683 |
52084720 |
1 |
S2Cl3N3O4H12C17 |
A2B3C3D4E12F17 |
-78.22 |
5.93 |
-9.11 |
-1.69 |
0 |
|
|
136684 |
52084722 |
1 |
Cl2S2N3O3H13C18 |
A2B2C3D3E13F18 |
-18.82 |
11.12 |
-9.32 |
-1.65 |
0 |
|
|
136685 |
52084828 |
1 |
O2S2N5H11C15 |
A2B2C5D11E15 |
90.78 |
4.13 |
-9.21 |
-1.57 |
0 |
|
|
136686 |
52085191 |
1 |
ClON2S2H15C19 |
ABC2D2E15F19 |
54.62 |
4.4 |
-8.45 |
-0.84 |
0 |
|
|
136687 |
52085192 |
1 |
ON2S2H18C20 |
AB2C2D18E20 |
53.74 |
6.46 |
-8.38 |
-0.8 |
0 |
|
|
136688 |
52085193 |
1 |
OCl2N2S2H14C19 |
AB2C2D2E14F19 |
45.98 |
5.54 |
-8.42 |
-1.27 |
0 |
|
|
136689 |
52085407 |
1 |
N2S2O3C22H22 |
A2B2C3D22E22 |
-21.16 |
5.96 |
-8.29 |
-0.75 |
0 |
|
|
136690 |
52085759 |
1 |
N2O2S2C21H22 |
A2B2C2D21E22 |
-7.64 |
5.82 |
-8.38 |
-0.82 |
0 |
|
|
136691 |
52086089 |
1 |
N2S2O3C20H22 |
A2B2C3D20E22 |
-47.83 |
5.67 |
-8.51 |
-0.9 |
0 |
|
|
136692 |
52086176 |
1 |
FN2O4C19H19 |
AB2C4D19E19 |
-162.99 |
4.34 |
-8.59 |
-0.52 |
0 |
|
|
136693 |
52086177 |
1 |
FN2O4C19H19 |
AB2C4D19E19 |
-173.54 |
4.64 |
-8.67 |
-0.57 |
0 |
|
|
136694 |
52086486 |
2 |
NO2C10H11 |
AB2C10D11 |
-128.98 |
4.02 |
-8.51 |
-0.36 |
0 |
|
|
136695 |
52086531 |
1 |
FN2O4C20H21 |
AB2C4D20E21 |
-172.84 |
3.12 |
-8.51 |
-0.52 |
0 |
|
|
136696 |
52086600 |
2 |
NO2C11H13 |
AB2C11D13 |
-141.33 |
6.21 |
-8.44 |
-0.37 |
0 |
|
|
136697 |
52086601 |
2 |
NO2C11H13 |
AB2C11D13 |
-140.39 |
4.56 |
-8.43 |
-0.38 |
0 |
|
|
136698 |
52086631 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-75.15 |
6.69 |
-8.46 |
-0.89 |
0 |
|
|
136699 |
52087321 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-152.71 |
6.6 |
-8.45 |
-0.4 |
0 |
|
|
136700 |
52087392 |
1 |
N3O6C21H23 |
A3B6C21D23 |
-133.6 |
6.24 |
-8.41 |
-1.68 |
0 |
|
|
136701 |
52087393 |
1 |
N3O6C21H23 |
A3B6C21D23 |
-136.15 |
7.54 |
-8.43 |
-1.73 |
0 |
|
|
136702 |
52087394 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-167.21 |
3.79 |
-8.5 |
-0.37 |
0 |
|
|
136703 |
52087395 |
1 |
N2O5C22H26 |
A2B5C22D26 |
-165.82 |
6.67 |
-8.39 |
-0.27 |
0 |
|
|
136704 |
52087396 |
1 |
Cl2N2O4C21H22 |
A2B2C4D21E22 |
-145.92 |
3.06 |
-8.5 |
-0.92 |
0 |
|
|
136705 |
52087397 |
1 |
Cl2N2O4C21H22 |
A2B2C4D21E22 |
-145.86 |
4.13 |
-8.53 |
-1.01 |
0 |
|
|
136706 |
52087398 |
2 |
NO2C11H13 |
AB2C11D13 |
-135.79 |
4.53 |
-8.42 |
-0.31 |
0 |
|
|
136707 |
52087537 |
1 |
FN2O4C23H27 |
AB2C4D23E27 |
-187.53 |
3.2 |
-8.45 |
-0.54 |
0 |
|
|
136708 |
52087565 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-135.53 |
3.68 |
-8.75 |
-0.5 |
0 |
|
|
136709 |
52087760 |
1 |
SN3O4H23C25 |
AB3C4D23E25 |
-65.77 |
3.56 |
-8.55 |
-0.73 |
0 |
|
|
136710 |
52087914 |
1 |
N3O5C27H27 |
A3B5C27D27 |
-79.94 |
2.42 |
-8.62 |
-0.6 |
1 |
|
|
136711 |
52087983 |
1 |
O2N3C25H30 |
A2B3C25D30 |
-2.9 |
2.71 |
0.0 |
0.0 |
0 |