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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
7930 |
74482 |
2 |
F2C3H3 |
A2B3C3 |
-177.42 |
0.0 |
-10.98 |
0.08 |
0 |
|
|
7931 |
74483 |
1 |
HSO3C8F17 |
ABC3D8E17 |
-955.72 |
1.84 |
-12.56 |
-1.54 |
0 |
|
|
7932 |
74484 |
1 |
BrH2F5C7 |
AB2C5D7 |
-198.78 |
1.74 |
-10.59 |
-1.62 |
0 |
|
|
7933 |
74486 |
1 |
ON5C11H11 |
AB5C11D11 |
58.45 |
3.51 |
-8.79 |
-1.27 |
0 |
|
|
7934 |
74487 |
1 |
SN3C13H13 |
AB3C13D13 |
90.97 |
4.65 |
-8.8 |
-0.19 |
0 |
|
|
7935 |
74489 |
1 |
ON3C6H13 |
AB3C6D13 |
-48.86 |
4.43 |
-9.73 |
1.13 |
0 |
|
|
7936 |
74491 |
1 |
NOSH11C13 |
ABCD11E13 |
12.52 |
3.42 |
-7.57 |
-0.23 |
0 |
|
|
7937 |
74492 |
1 |
O3C11H12 |
A3B11C12 |
-111.47 |
6.9 |
-10.37 |
-1.07 |
0 |
|
|
7938 |
74494 |
1 |
NO5C6H13 |
AB5C6D13 |
-220.9 |
2.95 |
-9.91 |
0.01 |
0 |
|
|
7939 |
74495 |
1 |
N4O4H8C13 |
A4B4C8D13 |
66.76 |
1.08 |
-10.04 |
-2.31 |
0 |
|
|
7940 |
74496 |
1 |
NOC6H11 |
ABC6D11 |
-48.22 |
1.11 |
-9.84 |
1.11 |
0 |
|
|
7941 |
74504 |
1 |
O6H12C19 |
A6B12C19 |
-167.53 |
10.12 |
-10.89 |
-2.0 |
0 |
|
|
7942 |
74505 |
1 |
BrPH18C19 |
ABC18D19 |
52.89 |
16.31 |
-7.36 |
-1.04 |
0 |
|
|
7943 |
74508 |
1 |
Cl2N2H4C5 |
A2B2C4D5 |
26.32 |
3.79 |
-10.18 |
-1.12 |
0 |
|
|
7944 |
74509 |
1 |
SO5C16H32 |
AB5C16D32 |
-273.7 |
6.38 |
-10.57 |
-0.56 |
0 |
|
|
7945 |
74510 |
1 |
NSC8H11 |
ABC8D11 |
13.39 |
1.24 |
-8.48 |
-0.01 |
0 |
|
|
7946 |
74511 |
1 |
ClON2C16H19 |
ABC2D16E19 |
-23.71 |
3.41 |
-9.13 |
-0.72 |
0 |
|
|
7947 |
74512 |
1 |
ClHgSC2H5 |
ABCD2E5 |
-7.9 |
2.95 |
-9.13 |
-0.78 |
0 |
|
|
7948 |
74513 |
4 |
OH2C3 |
AB2C3 |
-102.57 |
1.93 |
-10.44 |
-1.92 |
0 |
|
|
7949 |
74514 |
2 |
O3H7C8 |
A3B7C8 |
-214.54 |
2.91 |
-8.6 |
-0.73 |
0 |
|
|
7950 |
74519 |
1 |
ClNOC13H16 |
ABCD13E16 |
-47.84 |
1.37 |
-8.59 |
-0.6 |
0 |
|
|
7951 |
74521 |
1 |
SN2F3O3C10H11 |
AB2C3D3E10F11 |
-255.6 |
8.03 |
-9.52 |
-0.93 |
0 |
|
|
7952 |
74523 |
1 |
ON2C9H20 |
AB2C9D20 |
-82.48 |
3.6 |
-9.56 |
1.35 |
0 |
|
|
7953 |
74524 |
1 |
O2N3H7C8 |
A2B3C7D8 |
34.15 |
6.86 |
-9.82 |
-1.49 |
0 |
|
|
7954 |
74525 |
1 |
N2C9H10 |
A2B9C10 |
29.7 |
3.67 |
-8.67 |
0.03 |
0 |
|
|
7955 |
74526 |
1 |
O7C21H38 |
A7B21C38 |
-379.61 |
3.55 |
-10.57 |
0.28 |
0 |
|
|
7956 |
74527 |
1 |
NO4C18H37 |
AB4C18D37 |
-237.73 |
1.39 |
-8.98 |
0.72 |
0 |
|
|
7957 |
74531 |
1 |
SC7H10 |
AB7C10 |
-1.36 |
0.77 |
-8.65 |
0.32 |
0 |
|
|
7958 |
74532 |
1 |
Cl2Na2O6H14C23 |
A2B2C6D14E23 |
-284.15 |
10.91 |
-8.43 |
-1.1 |
0 |
|
|
7959 |
74533 |
1 |
Cl2O6H16C23 |
A2B6C16D23 |
-191.38 |
11.01 |
-10.06 |
-2.1 |
0 |
|
|
7960 |
74537 |
1 |
ON2C7H12 |
AB2C7D12 |
-17.57 |
3.18 |
-9.85 |
0.64 |
0 |
|
|
7961 |
74538 |
1 |
VO4C12H30 |
AB4C12D30 |
-252.74 |
5.9 |
0.0 |
0.0 |
0 |
|
|
7962 |
74540 |
1 |
N2O2C3H6 |
A2B2C3D6 |
9.09 |
4.39 |
-8.89 |
-0.96 |
0 |
|
|
7963 |
74542 |
1 |
NaSO5C6H9 |
ABC5D6E9 |
-263.82 |
4.29 |
-9.76 |
0.43 |
0 |
|
|
7964 |
74543 |
1 |
SO5C6H10 |
AB5C6D10 |
-207.17 |
4.44 |
-10.98 |
-0.57 |
0 |
|
|
7965 |
74544 |
1 |
PO4C6H15 |
AB4C6D15 |
-266.97 |
3.38 |
-11.05 |
0.87 |
0 |
|
|
7966 |
74545 |
1 |
ON3C9H11 |
AB3C9D11 |
12.18 |
5.12 |
-8.26 |
-0.17 |
0 |
|
|
7967 |
74546 |
6 |
CF2 |
AB2 |
-592.43 |
0.39 |
-13.62 |
-0.38 |
0 |
|
|
7968 |
74547 |
1 |
ClFOH8C13 |
ABCD8E13 |
-38.55 |
3.44 |
-9.89 |
-0.88 |
0 |
|
|
7969 |
74548 |
1 |
OC22H38 |
AB22C38 |
-103.8 |
1.04 |
-8.57 |
0.31 |
0 |
|
|
7970 |
74549 |
1 |
IC5H11 |
AB5C11 |
-14.98 |
2.52 |
-9.53 |
-0.61 |
0 |
|
|
7971 |
74550 |
1 |
PO3C16H35 |
AB3C16D35 |
-239.31 |
4.9 |
-10.67 |
1.07 |
0 |
|
|
7972 |
74551 |
1 |
NC13H17 |
AB13C17 |
1.11 |
1.0 |
-7.77 |
0.32 |
0 |
|
|
7973 |
74552 |
1 |
SC7H16 |
AB7C16 |
-42.5 |
2.24 |
-8.82 |
0.73 |
0 |
|
|
7974 |
74553 |
1 |
SO2C15H16 |
AB2C15D16 |
-56.95 |
6.88 |
-9.34 |
-0.31 |
0 |
|
|
7975 |
74555 |
1 |
OH8C10 |
AB8C10 |
36.94 |
4.28 |
-9.7 |
-0.62 |
0 |
|
|
7976 |
74556 |
1 |
OC10H14 |
AB10C14 |
-32.62 |
1.46 |
-9.4 |
0.36 |
0 |
|
|
7977 |
74557 |
2 |
O2C6H7 |
A2B6C7 |
-159.14 |
4.11 |
-10.68 |
-1.41 |
0 |
|
|
7978 |
74558 |
1 |
OC14H22 |
AB14C22 |
-52.77 |
1.84 |
-8.77 |
0.34 |
0 |
|
|
7979 |
74560 |
1 |
O4C11H14 |
A4B11C14 |
-134.1 |
5.99 |
-8.34 |
-0.37 |
0 |
|
|
7980 |
74561 |
1 |
C3N3H5 |
A3B3C5 |
44.25 |
3.43 |
-9.01 |
0.65 |
0 |
|
|
7981 |
74562 |
1 |
SO6H10C14 |
AB6C10D14 |
-209.19 |
9.37 |
-9.36 |
-1.28 |
0 |
|
|
7982 |
74563 |
1 |
O3C5H8 |
A3B5C8 |
-127.83 |
3.19 |
-10.53 |
-1.15 |
0 |
|
|
7983 |
74564 |
2 |
O3H7C10 |
A3B7C10 |
-166.84 |
4.75 |
-9.25 |
-1.18 |
0 |
|
|
7984 |
74565 |
1 |
O5H10C12 |
A5B10C12 |
-176.15 |
2.43 |
-9.69 |
-0.86 |
0 |
|
|
7985 |
74573 |
1 |
C11H12 |
A11B12 |
62.71 |
0.99 |
-9.33 |
0.4 |
0 |
|
|
7986 |
74580 |
1 |
OSiC2Cl2H6 |
ABC2D2E6 |
-169.1 |
3.39 |
-10.81 |
0.08 |
0 |
|
|
7987 |
74582 |
1 |
ON2H10C12 |
AB2C10D12 |
63.19 |
2.09 |
-9.38 |
-0.44 |
0 |
|
|
7988 |
74584 |
1 |
BrMgC2H3 |
ABC2D3 |
-9.44 |
2.54 |
-9.64 |
-0.3 |
0 |
|
|
7989 |
74585 |
1 |
ClO3H5C7 |
AB3C5D7 |
-114.17 |
4.81 |
-9.63 |
-1.32 |
0 |
|
|
7990 |
74591 |
1 |
O5C7H10 |
A5B7C10 |
-220.25 |
2.49 |
-10.95 |
-0.19 |
0 |
|
|
7991 |
74593 |
1 |
NO2H17C22 |
AB2C17D22 |
-8.81 |
5.01 |
-8.52 |
-1.44 |
0 |
|
|
7992 |
74594 |
1 |
O5C11H16 |
A5B11C16 |
-200.67 |
3.81 |
-10.64 |
-0.24 |
0 |
|
|
7993 |
74595 |
1 |
NSO4H9C12 |
ABC4D9E12 |
-48.35 |
7.01 |
-10.08 |
-1.66 |
0 |
|
|
7994 |
74598 |
1 |
ClSiC9H13 |
ABC9D13 |
-20.61 |
1.72 |
-9.39 |
0.03 |
0 |
|
|
7995 |
74620 |
1 |
CNOPSCl2 |
ABCDEF2 |
-80.73 |
1.75 |
-10.07 |
-1.34 |
0 |
|
|
7996 |
74626 |
1 |
O2H6C7 |
A2B6C7 |
-50.95 |
1.45 |
-9.46 |
-0.21 |
0 |
|
|
7997 |
74644 |
1 |
SN5H11C12 |
AB5C11D12 |
97.1 |
5.2 |
-8.73 |
-0.8 |
0 |
|
|
7998 |
74651 |
1 |
O3C9H10 |
A3B9C10 |
-105.43 |
4.62 |
-9.36 |
-0.19 |
0 |
|
|
7999 |
74653 |
1 |
BrO2H7C8 |
AB2C7D8 |
-65.67 |
3.65 |
-10.09 |
-0.72 |
0 |
|
|
8000 |
74674 |
1 |
NO2C10H13 |
AB2C10D13 |
-2.66 |
4.62 |
-10.12 |
-0.82 |
0 |
|
|
8001 |
74680 |
1 |
SO2C4H8 |
AB2C4D8 |
-71.39 |
5.61 |
-10.77 |
-0.08 |
0 |
|
|
8002 |
74682 |
1 |
O3C9H14 |
A3B9C14 |
-124.69 |
6.01 |
-8.8 |
-0.15 |
0 |
|
|
8003 |
74684 |
1 |
NOF3H6C8 |
ABC3D6E8 |
-180.38 |
3.76 |
-10.64 |
-1.12 |
0 |
|
|
8004 |
74688 |
1 |
NO2H9C10 |
AB2C9D10 |
-38.76 |
4.52 |
-8.53 |
-0.39 |
0 |
|
|
8005 |
74692 |
1 |
NSO4H12C13F13 |
ABC4D12E13F13 |
-790.57 |
6.01 |
-10.22 |
-1.09 |
0 |
|
|
8006 |
74694 |
2 |
NCl2C4 |
AB2C4 |
69.39 |
0.01 |
-10.22 |
-2.34 |
0 |
|
|
8007 |
74707 |
2 |
ClPSN2O7H8C11 |
ABCD2E7F8G11 |
-549.69 |
3.92 |
-9.29 |
-2.96 |
0 |
|
|
8008 |
74708 |
1 |
O3H8C13 |
A3B8C13 |
-61.55 |
3.98 |
-8.97 |
-1.11 |
0 |
|
|
8009 |
74709 |
1 |
O5C9H10 |
A5B9C10 |
-175.46 |
6.19 |
-8.96 |
-0.77 |
0 |
|
|
8010 |
74712 |
1 |
Cl2O3C15H20 |
A2B3C15D20 |
-146.6 |
4.12 |
-9.11 |
-0.48 |
0 |
|
|
8011 |
74741 |
1 |
OC8H14 |
AB8C14 |
-55.73 |
1.87 |
-10.15 |
0.99 |
0 |
|
|
8012 |
74742 |
1 |
O2Cl6H6C13 |
A2B6C6D13 |
-90.92 |
2.23 |
-9.26 |
-1.0 |
0 |
|
|
8013 |
74743 |
1 |
N2O3C4H12 |
A2B3C4D12 |
-46.26 |
14.26 |
-9.61 |
-0.31 |
0 |
|
|
8014 |
74744 |
1 |
N2O3C8H20 |
A2B3C8D20 |
-65.74 |
15.5 |
-9.37 |
-0.18 |
0 |
|
|
8015 |
74745 |
1 |
BrNC12H28 |
ABC12D28 |
-48.14 |
12.82 |
-7.64 |
0.09 |
0 |
|
|
8016 |
74749 |
1 |
ClOPS2C10H14 |
ABCD2E10F14 |
-115.32 |
2.28 |
-9.05 |
-0.65 |
0 |
|
|
8017 |
74750 |
1 |
BrNC12H28 |
ABC12D28 |
-52.44 |
12.24 |
-7.86 |
-0.02 |
0 |
|
|
8018 |
74753 |
1 |
OC13H18 |
AB13C18 |
-53.62 |
2.26 |
-9.16 |
0.54 |
0 |
|
|
8019 |
74754 |
1 |
ON3C20H29 |
AB3C20D29 |
-8.63 |
1.09 |
-8.61 |
-0.53 |
0 |
|
|
8020 |
74756 |
1 |
O4C7H10 |
A4B7C10 |
-170.57 |
2.61 |
-9.88 |
0.13 |
0 |
|
|
8021 |
74757 |
1 |
N3O5C8H9 |
A3B5C8D9 |
-40.94 |
6.61 |
-9.97 |
-1.73 |
0 |
|
|
8022 |
74759 |
1 |
I2O3H6C8 |
A2B3C6D8 |
-77.76 |
3.69 |
-9.62 |
-1.7 |
0 |
|
|
8023 |
74760 |
1 |
I2O2H4C7 |
A2B2C4D7 |
-14.85 |
2.06 |
-9.63 |
-1.59 |
0 |
|
|
8024 |
74761 |
1 |
OS2C6H14 |
AB2C6D14 |
-55.06 |
2.6 |
-8.45 |
-0.62 |
0 |
|
|
8025 |
74762 |
1 |
SN2O4H10C12 |
AB2C4D10E12 |
-34.36 |
8.72 |
-9.39 |
-1.71 |
0 |
|
|
8026 |
74763 |
1 |
ON2Cl4C26H26 |
AB2C4D26E26 |
-31.29 |
3.94 |
-8.98 |
-0.45 |
0 |
|
|
8027 |
74764 |
1 |
ON2Cl3H25C26 |
AB2C3D25E26 |
3.52 |
5.18 |
-8.92 |
-0.44 |
0 |
|
|
8028 |
74770 |
1 |
NO2C10H13 |
AB2C10D13 |
-44.0 |
4.87 |
-8.86 |
-0.23 |
0 |
|
|
8029 |
74773 |
1 |
N2O5H8C9 |
A2B5C8D9 |
-101.87 |
5.08 |
-10.58 |
-2.12 |
0 |