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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150934 53790631 2 C4H5 A4B5 97.3 1.13 -8.59 0.49 0
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150935 53790632 1 O2S2C35H50 A2B2C35D50 -86.98 4.27 -8.74 -1.23 0
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150936 53790633 1 O2S2C35H50 A2B2C35D50 -87.77 5.14 -8.73 -1.24 0
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150937 53790634 1 ClOH13C17 ABC13D17 41.09 2.73 -9.36 -0.02 0
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150938 53790635 2 OC7H7 AB7C7 -63.82 5.1 -9.14 -0.81 0
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150939 53790636 1 N2O7C27H30 A2B7C27D30 -176.24 4.8 -9.74 -1.26 0
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150940 53790637 1 N2O7C27H30 A2B7C27D30 -172.68 5.25 -9.67 -1.49 0
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150941 53790638 1 N2O7C27H30 A2B7C27D30 -172.34 4.45 -9.68 -1.56 0
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150942 53790639 1 O3C12H14 A3B12C14 -104.71 4.5 -9.07 -0.17 0
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150943 53790640 1 PN6O9C15H21 AB6C9D15E21 -393.05 4.83 -9.18 -0.62 0
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150944 53790641 1 O2F8H12C17 A2B8C12D17 -456.2 8.31 -10.06 -1.08 0
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150945 53790642 1 FNSO8C36H40 ABCD8E36F40 -222.54 8.77 -8.62 -1.48 0
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150946 53790643 1 O4C17H30 A4B17C30 -185.86 2.48 -9.78 0.31 0
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150947 53790644 1 IF4O4C23H35 AB4C4D23E35 -420.37 5.0 -9.6 -0.83 1
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150948 53790645 1 Cl2O3C5H9 A2B3C5D9 -132.42 5.05 0.0 0.0 0
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150949 53790646 1 Cl2O3C5H8 A2B3C5D8 -140.93 2.28 -10.19 -0.75 0
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150950 53790647 1 O4C9H14 A4B9C14 -125.96 2.38 -10.45 0.18 0
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150951 53790648 1 N3O7C30H51 A3B7C30D51 -341.26 2.56 -8.86 -0.22 0
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150952 53790649 1 ClN2O2F3H4C9 AB2C2D3E4F9 -201.4 5.68 -9.66 -1.48 0
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150953 53790650 1 Cl2O4C25H32 A2B4C25D32 -153.67 1.36 -8.03 -0.22 0
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150954 53790651 1 NSO3C11H15 ABC3D11E15 -103.53 7.06 -9.36 -0.44 0
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150955 53790652 1 SN2O2C11H14 AB2C2D11E14 -38.25 10.2 -8.9 -0.74 0
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150956 53790653 1 N2O3C20H20 A2B3C20D20 -17.92 4.5 -8.2 -0.77 0
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150957 53790654 1 NO3C21H43 AB3C21D43 -206.28 2.88 -9.86 0.75 0
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150958 53790655 1 ClON3C11H14 ABC3D11E14 -32.75 6.52 -8.64 -0.32 0
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150959 53790656 1 N4O4C7H8 A4B4C7D8 -98.46 3.34 -10.45 -1.46 0
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150960 53790657 1 NO6C17H21 AB6C17D21 -226.5 6.44 -8.55 -0.92 0
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150961 53790658 1 ClNS2O4C18H18 ABC2D4E18F18 -110.02 4.5 -9.11 -1.0 0
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150962 53790659 1 NO3C10H11 AB3C10D11 -75.94 3.08 -9.09 -1.01 0
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150963 53790660 1 NSO5C12H13 ABC5D12E13 -164.69 7.69 -9.33 -1.11 0
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150964 53790661 1 ON4C9H14 AB4C9D14 -15.87 5.96 -9.41 0.42 0
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150965 53790662 1 O3C11H14 A3B11C14 -136.37 6.79 -9.54 -0.36 0
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150966 53790663 1 PSN2O8H29C34 ABC2D8E29F34 -142.57 10.11 -8.74 -1.29 0
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150967 53790664 2 O2C12H17 A2B12C17 -163.31 7.58 -9.56 0.18 0
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150968 53790665 1 SN6O6C22H34 AB6C6D22E34 -198.93 4.38 -9.3 -0.46 0
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150969 53790666 2 C6H11 A6B11 -17.99 0.25 -9.36 1.38 0
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150970 53790667 1 NOC8H17 ABC8D17 -51.99 2.08 -9.0 2.34 0
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150971 53790668 2 C3O3H7 A3B3C7 -282.27 2.5 -10.6 1.63 0
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150974 53790671 2 C3O3H7 A3B3C7 -287.51 2.08 -10.41 1.44 0
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150975 53790672 1 O2N3C25H33 A2B3C25D33 -66.2 3.25 -8.9 -0.21 0
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150976 53790673 1 NO4C24H31 AB4C24D31 -177.05 5.35 -8.79 -0.66 0
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150977 53790674 2 ClON2H11C14 ABC2D11E14 29.58 9.76 -9.05 -0.86 0
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150978 53790675 2 ClON2H11C14 ABC2D11E14 30.6 10.36 -8.99 -0.78 0
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150979 53790676 1 SCl2N2O4C14H16 AB2C2D4E14F16 -72.51 3.88 -9.22 -1.67 0
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150980 53790677 1 PN8O8C40H57 AB8C8D40E57 -200.04 11.86 -8.73 -0.92 0
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150981 53790678 1 O3N4C19H24 A3B4C19D24 -52.42 9.47 -8.62 -0.83 0
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150982 53790679 1 PN4O5C21H33 AB4C5D21E33 -144.44 7.46 -9.09 -0.51 0
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150983 53790680 1 OSN2C23H24 ABC2D23E24 29.79 3.0 -8.91 -1.14 0
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150984 53790681 1 SO2N3H15C20 AB2C3D15E20 41.92 0.52 -9.01 -1.41 0
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150985 53790682 1 NC24H41 AB24C41 -44.92 4.99 -10.31 -0.12 0