List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
50974 |
12013580 |
1 |
CrNOC10H19 |
ABCD10E19 |
-91.79 |
6.34 |
-7.42 |
-0.15 |
0 |
|
|
50975 |
12013581 |
1 |
CrNO7C17H31 |
ABC7D17E31 |
-147.09 |
5.31 |
-7.84 |
-0.9 |
0 |
|
|
50976 |
12013582 |
1 |
CrNO6C17H31 |
ABC6D17E31 |
-235.41 |
6.84 |
-7.28 |
0.29 |
0 |
|
|
50977 |
12013583 |
1 |
CrNOC12H21 |
ABCD12E21 |
80.77 |
4.12 |
-5.94 |
0.98 |
0 |
|
|
50978 |
12013584 |
1 |
CrNO7C17H29 |
ABC7D17E29 |
-170.62 |
7.06 |
-7.49 |
-0.59 |
0 |
|
|
50979 |
12013585 |
1 |
CrNO2C12H19 |
ABC2D12E19 |
-6.34 |
0.47 |
-7.26 |
0.42 |
0 |
|
|
50980 |
12013586 |
1 |
O4C9H12 |
A4B9C12 |
-150.28 |
6.03 |
-10.28 |
-0.81 |
0 |
|
|
50981 |
12013587 |
1 |
O4C11H16 |
A4B11C16 |
-161.16 |
5.9 |
-10.23 |
-0.77 |
0 |
|
|
50982 |
12013588 |
1 |
O4C11H18 |
A4B11C18 |
-190.58 |
3.33 |
-10.05 |
0.15 |
0 |
|
|
50983 |
12013589 |
1 |
O4C13H22 |
A4B13C22 |
-199.03 |
4.98 |
-9.98 |
0.5 |
0 |
|
|
50984 |
12013590 |
1 |
NO2C7H11 |
AB2C7D11 |
-54.06 |
2.85 |
-9.63 |
0.23 |
0 |
|
|
50985 |
12013591 |
1 |
NO2C10H17 |
AB2C10D17 |
-71.13 |
3.67 |
-9.5 |
0.21 |
0 |
|
|
50986 |
12013592 |
1 |
NO2C12H13 |
AB2C12D13 |
-21.58 |
3.92 |
-9.63 |
-0.17 |
0 |
|
|
50987 |
12013593 |
3 |
N2H8C11 |
A2B8C11 |
177.07 |
1.1 |
-8.51 |
-0.68 |
0 |
|
|
50988 |
12013594 |
1 |
OSN4C14H16 |
ABC4D14E16 |
52.99 |
5.29 |
-8.8 |
-0.6 |
0 |
|
|
50989 |
12013595 |
1 |
SO3N5C14H15 |
AB3C5D14E15 |
47.08 |
7.12 |
-9.31 |
-1.29 |
0 |
|
|
50990 |
12013596 |
1 |
OSN5C16H21 |
ABC5D16E21 |
52.54 |
3.99 |
-7.92 |
-0.5 |
0 |
|
|
50991 |
12013598 |
1 |
ClOSN4C14H15 |
ABCD4E14F15 |
42.69 |
7.04 |
-8.91 |
-0.79 |
0 |
|
|
50992 |
12013599 |
1 |
SO2N4C14H16 |
AB2C4D14E16 |
18.36 |
10.98 |
-8.87 |
-1.21 |
0 |
|
|
50993 |
12013600 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
11.93 |
6.45 |
-8.38 |
-0.59 |
0 |
|
|
50994 |
12013601 |
1 |
OSN4C15H18 |
ABC4D15E18 |
42.97 |
5.17 |
-8.58 |
-0.62 |
0 |
|
|
50995 |
12013602 |
1 |
O2C9H12 |
A2B9C12 |
-73.71 |
5.55 |
-9.88 |
0.43 |
0 |
|
|
50996 |
12013603 |
2 |
OC5H7 |
AB5C7 |
-82.89 |
5.06 |
-9.66 |
0.48 |
0 |
|
|
50997 |
12013604 |
1 |
O2C9H12 |
A2B9C12 |
-78.55 |
5.8 |
-9.65 |
0.6 |
0 |
|
|
50998 |
12013606 |
1 |
O2C9H12 |
A2B9C12 |
-74.74 |
5.57 |
-9.99 |
0.38 |
0 |
|
|
50999 |
12013607 |
2 |
OC5H7 |
AB5C7 |
-79.21 |
5.48 |
-9.92 |
0.4 |
0 |
|
|
51000 |
12013608 |
1 |
O2C11H16 |
A2B11C16 |
-83.9 |
5.48 |
-9.88 |
0.43 |
0 |
|
|
51001 |
12013609 |
1 |
ON2C12H14 |
AB2C12D14 |
49.45 |
3.5 |
-9.06 |
-0.42 |
0 |
|
|
51002 |
12013610 |
1 |
ON2C12H14 |
AB2C12D14 |
51.28 |
3.5 |
-8.95 |
-0.68 |
0 |
|
|
51003 |
12013611 |
1 |
ON2H14C16 |
AB2C14D16 |
89.07 |
3.3 |
-8.9 |
-0.86 |
0 |
|
|
51004 |
12013614 |
2 |
NOH8C10 |
ABC8D10 |
66.78 |
3.25 |
-8.77 |
-1.03 |
0 |
|
|
51005 |
12013615 |
2 |
NOC6H7 |
ABC6D7 |
22.16 |
4.21 |
-9.08 |
-0.88 |
0 |
|
|
51006 |
12013616 |
1 |
N3O6C31H33 |
A3B6C31D33 |
-71.82 |
8.7 |
-8.84 |
-0.66 |
0 |
|
|
51007 |
12013618 |
2 |
N2H13C17 |
A2B13C17 |
185.59 |
14.6 |
-8.27 |
-0.8 |
0 |
|
|
51008 |
12013619 |
2 |
ON2H13C17 |
AB2C13D17 |
125.24 |
15.39 |
-8.18 |
-0.76 |
0 |
|
|
51009 |
12013621 |
1 |
FNC12H14 |
ABC12D14 |
-7.89 |
2.96 |
-8.6 |
0.09 |
0 |
|
|
51010 |
12013622 |
1 |
NC13H17 |
AB13C17 |
29.62 |
2.38 |
-8.37 |
0.47 |
0 |
|
|
51014 |
12013626 |
1 |
SO3N4C22H22 |
AB3C4D22E22 |
-37.94 |
7.53 |
-8.74 |
-0.76 |
0 |
|
|
51015 |
12013627 |
1 |
FSO3N4H21C22 |
ABC3D4E21F22 |
-85.57 |
7.86 |
-8.84 |
-0.8 |
0 |
|
|
51017 |
12013630 |
1 |
BrNPC23H25 |
ABCD23E25 |
37.72 |
5.78 |
-7.82 |
-0.25 |
0 |
|
|
51018 |
12013631 |
1 |
BrNPH27C28 |
ABCD27E28 |
74.04 |
3.62 |
-8.3 |
-0.24 |
0 |
|
|
51019 |
12013632 |
1 |
BrNPC24H27 |
ABCD24E27 |
30.3 |
3.24 |
-8.05 |
-0.18 |
0 |
|
|
51020 |
12013633 |
1 |
BrNPH25C26 |
ABCD25E26 |
58.71 |
3.57 |
-8.27 |
-0.23 |
0 |
|
|
51021 |
12013634 |
1 |
NPC22H22 |
ABC22D22 |
65.82 |
7.26 |
-7.04 |
-0.27 |
0 |
|
|
51022 |
12013635 |
1 |
NPC23H24 |
ABC23D24 |
52.29 |
6.15 |
-7.02 |
-0.15 |
0 |
|
|
51023 |
12013636 |
1 |
NPC23H24 |
ABC23D24 |
59.43 |
6.72 |
-7.1 |
-0.3 |
0 |
|
|
51024 |
12013638 |
1 |
NPH24C26 |
ABC24D26 |
75.28 |
5.93 |
-7.19 |
-0.34 |
0 |
|
|
51025 |
12013639 |
1 |
OSC19H28 |
ABC19D28 |
-54.74 |
2.58 |
-8.32 |
0.22 |
0 |
|
|
51026 |
12013640 |
1 |
SO2C19H28 |
AB2C19D28 |
-87.55 |
2.6 |
-8.25 |
-0.09 |
0 |
|
|
51027 |
12013641 |
1 |
OSC20H30 |
ABC20D30 |
-61.44 |
2.96 |
-8.45 |
-0.08 |
0 |
|
|
51028 |
12013642 |
1 |
NOS2C19H25 |
ABC2D19E25 |
-14.12 |
3.46 |
-9.06 |
-1.0 |
0 |
|
|
51029 |
12013644 |
1 |
SO2C20H22 |
AB2C20D22 |
-22.46 |
4.6 |
-8.36 |
-0.09 |
0 |
|
|
51030 |
12013645 |
1 |
SO3C18H18 |
AB3C18D18 |
-45.18 |
4.41 |
-8.36 |
-0.09 |
0 |
|
|
51031 |
12013646 |
1 |
SO2C13H16 |
AB2C13D16 |
-44.89 |
4.71 |
-8.34 |
-0.06 |
0 |
|
|
51032 |
12013647 |
1 |
SO2C18H18 |
AB2C18D18 |
-6.42 |
4.46 |
-8.4 |
-0.12 |
0 |
|
|
51033 |
12013648 |
1 |
SO2H14C16 |
AB2C14D16 |
1.82 |
3.99 |
-8.52 |
-0.22 |
0 |
|
|
51034 |
12013649 |
1 |
SO2C13H16 |
AB2C13D16 |
-35.85 |
4.86 |
-8.37 |
-0.1 |
0 |
|
|
51035 |
12013650 |
1 |
SO2C21H32 |
AB2C21D32 |
-74.75 |
2.94 |
-8.31 |
-0.02 |
0 |
|
|
51036 |
12013651 |
1 |
NO2C16H21 |
AB2C16D21 |
-70.3 |
4.34 |
-8.76 |
-0.3 |
0 |
|
|
51037 |
12013652 |
1 |
NOSC15H19 |
ABCD15E19 |
-24.98 |
1.28 |
-8.69 |
-0.69 |
0 |
|
|
51038 |
12013655 |
1 |
ON2H18C23 |
AB2C18D23 |
50.59 |
7.73 |
-9.04 |
-0.55 |
0 |
|
|
51039 |
12013656 |
1 |
ON2H20C24 |
AB2C20D24 |
41.44 |
7.15 |
-9.06 |
-0.56 |
0 |
|
|
51040 |
12013657 |
1 |
ON2H22C25 |
AB2C22D25 |
31.34 |
7.74 |
-9.03 |
-0.53 |
0 |
|
|
51041 |
12013658 |
1 |
ClON2H17C23 |
ABC2D17E23 |
40.42 |
6.75 |
-9.13 |
-0.63 |
0 |
|
|
51042 |
12013659 |
2 |
NOH9C12 |
ABC9D12 |
21.11 |
8.33 |
-8.94 |
-0.83 |
0 |
|
|
51043 |
12013660 |
1 |
ON2H16C18 |
AB2C16D18 |
21.49 |
7.42 |
-9.07 |
-0.55 |
0 |
|
|
51044 |
12013661 |
1 |
S2H18C19 |
A2B18C19 |
77.74 |
3.14 |
-8.41 |
-0.24 |
0 |
|
|
51045 |
12013662 |
1 |
S2H18C23 |
A2B18C23 |
117.91 |
2.88 |
-8.15 |
-0.3 |
0 |
|
|
51046 |
12013663 |
1 |
S2O4H18C19 |
A2B4C18D19 |
-71.67 |
9.97 |
-9.85 |
-0.72 |
0 |
|
|
51047 |
12013664 |
1 |
NO2C10H11 |
AB2C10D11 |
-49.31 |
3.43 |
-9.72 |
-0.03 |
0 |
|
|
51048 |
12013665 |
1 |
O3C10H10 |
A3B10C10 |
-92.44 |
5.07 |
-10.14 |
-0.46 |
0 |
|
|
51049 |
12013666 |
14 |
SiC6H11 |
AB6C11 |
-360.18 |
1.16 |
-7.54 |
0.61 |
0 |
|
|
51050 |
12013667 |
1 |
OC13H16 |
AB13C16 |
-19.99 |
0.87 |
-8.76 |
0.48 |
0 |
|
|
51051 |
12013668 |
1 |
OSiC17H26 |
ABC17D26 |
-80.41 |
0.64 |
-8.96 |
0.35 |
0 |
|
|
51052 |
12013669 |
1 |
OSiC17H26 |
ABC17D26 |
-84.07 |
0.79 |
-8.85 |
0.36 |
0 |