List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338570 |
127259581 |
1 |
N5O6C12H14 |
A5B6C12D14 |
-145.34 |
2.3 |
0.0 |
0.0 |
0 |
|
|
338571 |
127259582 |
1 |
N5O6C12H15 |
A5B6C12D15 |
-205.62 |
5.35 |
-9.66 |
-1.11 |
0 |
|
|
338572 |
127259583 |
1 |
O3N6C12H20 |
A3B6C12D20 |
-49.35 |
4.11 |
-7.99 |
-0.32 |
0 |
|
|
338573 |
127259584 |
1 |
O4N5C17H23 |
A4B5C17D23 |
-113.17 |
2.5 |
-8.86 |
-0.46 |
0 |
|
|
338574 |
127259585 |
1 |
O4N5C17H23 |
A4B5C17D23 |
-115.3 |
2.3 |
-8.83 |
-0.44 |
0 |
|
|
338575 |
127259586 |
1 |
O4N5C15H21 |
A4B5C15D21 |
-114.02 |
1.69 |
-8.78 |
-0.85 |
0 |
|
|
338576 |
127259587 |
1 |
I2N5O5C19H21 |
A2B5C5D19E21 |
-111.29 |
2.96 |
-9.06 |
-1.41 |
0 |
|
|
338577 |
127259588 |
1 |
N5O5C19H23 |
A5B5C19D23 |
-145.34 |
3.36 |
-8.92 |
-0.61 |
0 |
|
|
338578 |
127259589 |
1 |
N5O5C19H23 |
A5B5C19D23 |
-141.7 |
2.26 |
-8.94 |
-0.57 |
0 |
|
|
338579 |
127259590 |
1 |
N5O7H21C24 |
A5B7C21D24 |
-142.15 |
2.77 |
-8.46 |
-1.28 |
0 |
|
|
338580 |
127259591 |
1 |
N5O6C20H29 |
A5B6C20D29 |
-229.46 |
4.8 |
-9.35 |
-0.96 |
0 |
|
|
338581 |
127259592 |
1 |
SN5O7C17H19 |
AB5C7D17E19 |
-224.78 |
4.51 |
-9.17 |
-0.79 |
0 |
|
|
338582 |
127259593 |
1 |
P2N5C10O11H17 |
A2B5C10D11E17 |
-526.02 |
4.83 |
-9.47 |
-0.8 |
0 |
|
|
338583 |
127259594 |
1 |
O9C16H20 |
A9B16C20 |
-383.85 |
9.6 |
-10.11 |
-1.46 |
0 |
|
|
338584 |
127259595 |
2 |
BrN2O3C19H23 |
AB2C3D19E23 |
-137.07 |
5.5 |
-9.13 |
-1.83 |
0 |
|
|
338586 |
127259597 |
1 |
NSO2C15H23 |
ABC2D15E23 |
-69.13 |
5.76 |
-9.91 |
-0.38 |
0 |
|
|
338587 |
127259598 |
1 |
NSO2C14H19 |
ABC2D14E19 |
-36.31 |
4.78 |
-9.61 |
-0.39 |
0 |
|
|
338588 |
127259599 |
1 |
INOH22C24 |
ABCD22E24 |
90.02 |
1.37 |
-8.74 |
-0.94 |
0 |
|
|
338589 |
127259600 |
1 |
NC12H17 |
AB12C17 |
28.24 |
1.8 |
-9.61 |
0.17 |
0 |
|
|
338590 |
127259601 |
1 |
NOC17H19 |
ABC17D19 |
6.52 |
4.18 |
-9.12 |
-0.82 |
0 |
|
|
338591 |
127259602 |
1 |
O2C19H26 |
A2B19C26 |
-70.32 |
3.75 |
-8.97 |
-0.66 |
0 |
|
|
338592 |
127259603 |
2 |
OC12H19 |
AB12C19 |
-106.77 |
4.84 |
-9.17 |
-0.4 |
0 |
|
|
338593 |
127259604 |
1 |
NO2H15C16 |
AB2C15D16 |
-19.99 |
9.73 |
-8.54 |
-1.32 |
0 |
|
|
338594 |
127259605 |
1 |
N2O4H12C15 |
A2B4C12D15 |
-16.25 |
6.33 |
-9.19 |
-2.11 |
0 |
|
|
338595 |
127259606 |
1 |
NO2C15H23 |
AB2C15D23 |
-54.9 |
2.46 |
-8.96 |
-0.17 |
0 |
|
|
338596 |
127259607 |
1 |
ClO3H11C13 |
AB3C11D13 |
-53.93 |
8.09 |
-9.57 |
-0.96 |
0 |
|
|
338597 |
127259608 |
1 |
OH16C17 |
AB16C17 |
67.31 |
4.88 |
-9.2 |
-0.81 |
0 |
|
|
338598 |
127259609 |
1 |
SO3C10H10 |
AB3C10D10 |
-72.95 |
4.87 |
-10.27 |
-1.13 |
0 |
|
|
338599 |
127259610 |
1 |
BrNO3H10C14 |
ABC3D10E14 |
-40.66 |
5.4 |
-8.66 |
-1.69 |
0 |
|
|
338600 |
127259611 |
1 |
BrNO2C16H24 |
ABC2D16E24 |
-60.45 |
2.37 |
-9.22 |
-0.24 |
0 |
|
|
338601 |
127259612 |
1 |
O3H14C19 |
A3B14C19 |
-10.59 |
2.58 |
-9.96 |
-1.49 |
0 |
|
|
338602 |
127259613 |
1 |
NO2C12H13 |
AB2C12D13 |
-54.33 |
4.68 |
-9.18 |
-0.61 |
0 |
|
|
338603 |
127259614 |
1 |
OSC11H12 |
ABC11D12 |
3.31 |
4.5 |
-8.65 |
-0.74 |
0 |
|
|
338604 |
127259615 |
1 |
SO3H12C15 |
AB3C12D15 |
-38.37 |
3.42 |
-10.24 |
-1.05 |
0 |
|
|
338605 |
127259616 |
1 |
OSH12C15 |
ABC12D15 |
38.39 |
3.88 |
-8.63 |
-0.88 |
0 |
|
|
338606 |
127259617 |
1 |
O2C13H14 |
A2B13C14 |
-41.18 |
1.5 |
-9.96 |
-1.18 |
0 |
|
|
338607 |
127259618 |
2 |
OC6H6 |
AB6C6 |
-35.66 |
4.26 |
-9.94 |
-1.25 |
0 |
|
|
338608 |
127259619 |
1 |
ON2C16H22 |
AB2C16D22 |
3.47 |
4.48 |
-8.38 |
-0.65 |
0 |
|
|
338609 |
127259620 |
1 |
NO2H13C15 |
AB2C13D15 |
22.11 |
5.77 |
-9.17 |
-0.63 |
0 |
|
|
338610 |
127259621 |
1 |
O3C14H18 |
A3B14C18 |
-88.71 |
4.54 |
-8.73 |
-0.52 |
0 |
|
|
338611 |
127259622 |
1 |
N2O2C15H16 |
A2B2C15D16 |
29.05 |
3.12 |
-8.6 |
-0.44 |
0 |
|
|
338612 |
127259623 |
1 |
Cl2N3H9C12 |
A2B3C9D12 |
106.72 |
2.75 |
-9.07 |
-1.35 |
0 |
|
|
338613 |
127259624 |
2 |
ClON2H4C6 |
ABC2D4E6 |
106.55 |
4.28 |
-9.49 |
-2.18 |
0 |
|
|
338614 |
127259625 |
1 |
ClN3H10C12 |
AB3C10D12 |
111.25 |
2.94 |
-9.06 |
-0.96 |
0 |
|
|
338615 |
127259626 |
1 |
ON3C13H13 |
AB3C13D13 |
84.44 |
1.74 |
-8.73 |
-0.42 |
0 |
|
|
338616 |
127259627 |
2 |
ClON2H4C6 |
ABC2D4E6 |
80.8 |
7.74 |
-9.21 |
-1.86 |
0 |
|
|
338617 |
127259628 |
2 |
N2O2C7H7 |
A2B2C7D7 |
20.78 |
9.37 |
-9.07 |
-1.47 |
0 |
|
|
338618 |
127259629 |
3 |
NC9H9 |
AB9C9 |
118.75 |
5.2 |
-7.88 |
-0.29 |
0 |
|
|
338619 |
127259630 |
3 |
NC9H9 |
AB9C9 |
116.52 |
3.32 |
-7.69 |
-0.6 |
0 |
|
|
338620 |
127259631 |
1 |
N3C22H23 |
A3B22C23 |
109.84 |
4.08 |
-8.11 |
-0.11 |
0 |
|
|
338621 |
127259632 |
1 |
N3C15H17 |
A3B15C17 |
85.49 |
2.86 |
-7.72 |
-0.17 |
0 |
|
|
338622 |
127259633 |
1 |
ClO2N4H9C12 |
AB2C4D9E12 |
80.29 |
8.48 |
-9.31 |
-1.72 |
0 |
|
|
338623 |
127259634 |
1 |
OF2N7H9C15 |
AB2C7D9E15 |
46.83 |
8.4 |
-8.67 |
-2.16 |
0 |
|
|
338624 |
127259635 |
1 |
ClON2C18H19 |
ABC2D18E19 |
-6.96 |
5.09 |
-8.57 |
-0.16 |
0 |
|
|
338625 |
127259636 |
1 |
ClON2C17H17 |
ABC2D17E17 |
-3.31 |
2.47 |
-8.64 |
-0.38 |
0 |
|
|
338626 |
127259637 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-137.61 |
3.9 |
-8.76 |
-0.3 |
0 |
|
|
338627 |
127259638 |
1 |
NO3H8C17F17 |
AB3C8D17E17 |
-913.83 |
3.76 |
-10.6 |
-1.27 |
0 |
|
|
338628 |
127259639 |
1 |
NO2H10F17C19 |
AB2C10D17E19 |
-851.52 |
5.43 |
-10.26 |
-1.14 |
0 |
|
|
338629 |
127259640 |
1 |
OSN4C11H14 |
ABC4D11E14 |
25.11 |
5.69 |
-8.85 |
-1.12 |
0 |
|
|
338630 |
127259641 |
2 |
NOH10C14 |
ABC10D14 |
60.76 |
3.22 |
-8.88 |
-1.17 |
0 |
|
|
338631 |
127259642 |
1 |
N2O2H18C23 |
A2B2C18D23 |
24.11 |
3.72 |
-8.99 |
-1.07 |
0 |
|
|
338632 |
127259643 |
1 |
N3O3H19C21 |
A3B3C19D21 |
-15.49 |
4.64 |
-9.3 |
-1.63 |
0 |
|
|
338633 |
127259644 |
1 |
O2N3C23H23 |
A2B3C23D23 |
-10.5 |
5.8 |
-9.34 |
-1.22 |
0 |
|
|
338634 |
127259645 |
1 |
O2N3C21H21 |
A2B3C21D21 |
0.86 |
3.48 |
-9.58 |
-1.24 |
0 |
|
|
338635 |
127259646 |
1 |
O2N3H21C22 |
A2B3C21D22 |
3.49 |
2.49 |
-9.52 |
-1.22 |
0 |
|
|
338636 |
127259647 |
1 |
O2N3H19C21 |
A2B3C19D21 |
10.32 |
3.31 |
-9.53 |
-1.22 |
0 |
|
|
338637 |
127259648 |
1 |
S2N4O7C15H24 |
A2B4C7D15E24 |
-225.04 |
4.45 |
-9.62 |
-1.66 |
0 |
|
|
338638 |
127259649 |
1 |
ClNO2H20C22 |
ABC2D20E22 |
-42.3 |
3.62 |
-9.13 |
-0.83 |
0 |
|
|
338639 |
127259650 |
1 |
NO3C21H25 |
AB3C21D25 |
-70.44 |
4.3 |
-8.5 |
-0.26 |
0 |
|
|
338640 |
127259651 |
1 |
N3O5H13C15 |
A3B5C13D15 |
-54.08 |
6.38 |
-9.65 |
-1.7 |
0 |
|
|
338641 |
127259652 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-52.7 |
3.88 |
-10.14 |
-0.86 |
0 |
|
|
338642 |
127259653 |
1 |
NO3H10F11C15 |
AB3C10D11E15 |
-624.16 |
1.63 |
-10.12 |
-1.36 |
0 |
|
|
338643 |
127259654 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-58.38 |
4.44 |
-9.62 |
-1.67 |
0 |
|
|
338645 |
127259656 |
1 |
SN3O6C11H17 |
AB3C6D11E17 |
-192.11 |
5.83 |
-8.69 |
-0.9 |
0 |
|
|
338646 |
127259657 |
1 |
N3O3C13H15 |
A3B3C13D15 |
-30.58 |
6.87 |
-9.56 |
-0.98 |
0 |