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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303597 124489945 2 O3C10H16 A3B10C16 -132.77 5.6 -9.15 0.06 0
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303598 124489946 2 O3C10H17 A3B10C17 -308.48 6.1 -9.83 0.35 0
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303599 124489947 2 O3C10H16 A3B10C16 -295.59 6.01 -10.15 0.15 0
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303600 124489948 2 O3C10H16 A3B10C16 -295.66 2.82 -10.03 0.33 0
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303601 124489949 2 O3C10H16 A3B10C16 -287.1 6.42 -10.16 0.23 0
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303602 124489950 1 O5C20H34 A5B20C34 -270.35 5.15 -10.44 0.23 0
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303603 124489951 1 O5C20H34 A5B20C34 -271.15 6.11 -9.66 0.25 0
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303604 124489952 1 O5C20H36 A5B20C36 -279.31 6.69 -10.18 0.55 0
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303605 124489953 1 O5C21H36 A5B21C36 -262.59 7.26 -10.02 0.54 0
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303606 124489954 1 N2S2O6C15H16 A2B2C6D15E16 -208.86 3.77 -9.6 -0.91 0
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303607 124489955 1 O3C12H20 A3B12C20 -154.21 4.27 -9.78 0.56 0
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303608 124489956 3 O3C5H6 A3B5C6 -345.52 7.49 -9.53 -1.16 0
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303609 124489957 1 O9C16H16 A9B16C16 -351.25 2.4 -9.66 -1.22 0
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303610 124489958 1 O7C16H16 A7B16C16 -258.05 4.82 -9.14 -0.87 0
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303611 124489959 1 F2O5C20H32 A2B5C20D32 -384.75 4.16 -10.35 0.19 0
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303612 124489960 1 F2O5C20H32 A2B5C20D32 -379.5 6.18 -10.38 0.24 0
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303613 124489961 1 O5C18H30 A5B18C30 -254.48 3.05 -10.09 0.34 0
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303614 124489962 1 Cl3O7C8H11 A3B7C8D11 -320.67 6.99 -10.88 -0.76 0
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303619 124489967 1 N2O7C12H20 A2B7C12D20 -291.54 8.83 -9.94 -0.06 0
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303620 124489968 1 N2O7C12H20 A2B7C12D20 -290.78 7.97 -9.69 -0.28 0
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303621 124489969 2 NO4C6H10 AB4C6D10 -336.51 5.27 -10.35 -0.09 0
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303622 124489970 2 NO4C6H10 AB4C6D10 -345.58 4.21 -10.0 -0.04 0
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303623 124489971 2 NO4C6H10 AB4C6D10 -334.51 3.06 -10.18 -0.13 0
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303624 124489972 2 NO4C6H10 AB4C6D10 -339.21 6.99 -9.85 -0.29 0
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303625 124489973 1 N3O5C20H27 A3B5C20D27 -190.44 2.33 -9.47 -0.42 0
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303626 124489974 1 NO2H15C16 AB2C15D16 -6.29 5.18 -9.17 -0.15 0
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303627 124489975 1 NO2H15C16 AB2C15D16 -11.52 3.71 -9.03 -0.07 0
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303628 124489976 1 NO2C15H15 AB2C15D15 -43.28 2.9 -9.06 -0.16 0
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303634 124489982 2 ClON2C13H13 ABC2D13E13 -16.92 2.96 -8.52 -0.98 0
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303635 124489983 1 N2O4H20C23 A2B4C20D23 -5.09 5.11 -9.75 -1.44 0
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303636 124489984 1 N2O4H20C23 A2B4C20D23 -4.31 5.09 -9.8 -1.46 0
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303637 124489986 1 O3Cl6H8C12 A3B6C8D12 -103.18 3.98 -10.33 -0.99 0
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303638 124489987 1 O3Cl6H8C12 A3B6C8D12 -110.13 4.57 -10.43 -1.13 0
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303641 124489990 1 PN2O5C16H17 AB2C5D16E17 -195.25 7.34 -8.85 -1.89 0
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303643 124489993 1 ON4C16H16 AB4C16D16 43.95 3.58 -8.84 -0.46 0
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303644 124489994 1 ON4C16H16 AB4C16D16 43.79 3.79 -8.88 -0.51 0
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303645 124489995 1 NOH25C28 ABC25D28 110.32 4.03 -8.04 -0.27 0
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303646 124489996 1 NOH25C28 ABC25D28 45.81 2.23 -8.36 -0.33 0
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303647 124489997 1 ON2H26C30 AB2C26D30 62.59 0.97 -8.22 -0.52 0
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303648 124489998 1 ON2H26C30 AB2C26D30 62.52 0.62 -8.36 -0.53 0
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303649 124489999 1 SN2O7C21H24 AB2C7D21E24 -206.36 4.06 -9.58 -1.27 0
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303650 124490000 1 SN2O7C21H24 AB2C7D21E24 -228.18 2.94 -9.72 -1.45 0
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303651 124490001 1 SN2O7C21H24 AB2C7D21E24 -220.99 3.63 -9.71 -1.38 0
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303652 124490002 1 SN2O7C21H24 AB2C7D21E24 -213.7 2.51 -9.7 -1.44 0
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303653 124490003 1 O4N5C19H27 A4B5C19D27 -135.91 1.6 -8.69 -0.3 1
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303654 124490005 1 N3O4H16C17 A3B4C16D17 -18.24 4.49 0.0 0.0 0
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303655 124490006 3 OC10H16 AB10C16 -204.68 6.21 -9.31 0.7 0
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303657 124490013 2 NO4C10H11 AB4C10D11 -304.64 5.45 -9.85 -1.16 0
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303658 124490014 2 NO4C10H11 AB4C10D11 -307.16 3.88 -9.55 -0.85 0
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303670 124490028 1 NO8C12H25 AB8C12D25 -392.95 4.28 -10.08 0.56 0