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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226992 87559476 1 ClNBr2O4H16C19 ABC2D4E16F19 -49.73 5.3 -8.8 -0.61 0
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226993 87559485 1 FO3S4N5C18H22 AB3C4D5E18F22 -68.84 2.01 -9.05 -1.41 0
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226994 87559489 1 O6C33H62 A6B33C62 -378.4 3.71 -10.17 -0.29 0
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226995 87559494 1 O3C16H30 A3B16C30 -169.73 2.92 -10.05 0.12 0
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226996 87559498 2 H2O2F5C8 A2B2C5D8 -538.88 0.03 -10.78 -1.52 0
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226997 87559504 1 NSO5C29H35 ABC5D29E35 -135.16 3.35 -8.45 -0.69 0
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226998 87559516 1 SO5C13H18 AB5C13D18 -204.89 3.53 -9.8 -0.31 0
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226999 87559522 1 SO8C28H54 AB8C28D54 -442.03 3.79 -10.74 -1.02 0
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227000 87559530 1 N2O3H8C9 A2B3C8D9 -82.68 3.77 -9.48 -1.14 0
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227001 87559548 1 ORuSCl2N2C34H36 ABCD2E2F34G36 81.66 10.9 -6.45 -1.4 0
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227002 87559550 1 ORuSCl2N2C34H36 ABCD2E2F34G36 79.26 7.18 -7.22 -1.84 0
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227003 87559551 1 ORuSCl2N2C32H34 ABCD2E2F32G34 70.83 10.38 -6.51 -1.17 0
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227004 87559564 1 NF3O5H26C27 AB3C5D26E27 -314.88 7.31 -9.36 -0.94 0
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227005 87559572 1 FNO3H10C14 ABC3D10E14 -96.8 2.11 -9.67 -1.07 0
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227006 87559573 1 SO4F5H11C12 AB4C5D11E12 -367.27 4.25 -10.4 -1.66 0
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227007 87559577 1 N11H41C42 A11B41C42 345.73 2.11 -8.75 -1.75 0
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227008 87559582 1 BrO2C11H19 AB2C11D19 -89.78 1.68 -10.12 -2.35 0
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227009 87559585 1 SnO4C24H44 AB4C24D44 -152.06 2.35 -6.11 -1.35 0
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227010 87559594 1 NBr3O5H18C20 AB3C5D18E20 -75.07 4.02 -8.94 -0.72 0
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227011 87559606 1 SN2O6C20H22 AB2C6D20E22 -168.21 8.38 -7.66 -1.38 0
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227012 87559613 1 BrO2N3C9H16 AB2C3D9E16 -83.81 7.73 -9.36 -0.34 0
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227013 87559616 1 SO2N5F6H21C24 AB2C5D6E21F24 -256.86 1.18 -9.24 -1.05 0
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227014 87559642 1 NSiF2O4C37H41 ABC2D4E37F41 -220.12 3.17 -9.03 -0.9 0
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227015 87559651 1 SO8C24H46 AB8C24D46 -413.43 2.69 -10.89 -1.02 0
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227016 87559653 1 O9N10C57H78 A9B10C57D78 -308.16 8.75 -8.7 -0.37 0
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227017 87559665 1 N3C12H29 A3B12C29 -24.53 4.64 -8.81 2.09 0
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227018 87559667 1 N2O9C54H76 A2B9C54D76 -393.21 8.59 -8.68 -0.34 0
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227019 87559671 1 SiF6H38C40 AB6C38D40 -263.89 2.06 -8.65 -0.52 0
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227020 87559687 1 AlNOC21H22 ABCD21E22 -21.83 4.1 -8.99 -0.77 0
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227021 87559697 1 NO2C5H9 AB2C5D9 -0.82 3.98 -9.21 0.34 0
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227022 87559700 2 SN2O2C12H14 AB2C2D12E14 -81.17 3.31 -8.69 -0.59 0
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227023 87559726 1 NO2Si3C15H39 AB2C3D15E39 -286.93 3.08 -8.52 1.37 0
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227025 87559740 1 N2F3O3C15H21 A2B3C3D15E21 -225.94 7.32 -9.25 -0.53 0
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227026 87559743 1 ClFSO2N4C22H24 ABCD2E4F22G24 -66.72 2.7 -9.25 -1.07 0
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227027 87559745 1 ClFSO2N4C22H24 ABCD2E4F22G24 -71.19 7.64 -8.9 -0.66 0
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227028 87559771 1 SO3C6H12 AB3C6D12 -131.39 3.73 -10.49 -0.04 0
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227030 87559794 1 NO3H13C15 AB3C13D15 -28.25 7.11 -9.38 -0.7 0
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227031 87559799 1 NC6O7H13 AB6C7D13 -287.29 3.12 -10.57 -0.29 0
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227032 87559802 1 FS2O3H27C28 AB2C3D27E28 -74.95 6.34 -8.41 -0.26 0
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227033 87559804 1 CuHO2C3F5 ABC2D3E5 -293.57 5.89 0.0 0.0 0
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227034 87559826 1 PN2O3H15C16 AB2C3D15E16 -75.93 6.09 -9.74 -0.54 0
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227035 87559835 3 OC5H10 AB5C10 -198.38 5.92 -10.46 0.62 0
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227036 87559836 1 ClSN2H7C10 ABC2D7E10 66.17 1.21 -8.98 -0.97 0
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227037 87559847 1 AlNC13H23 ABC13D23 15.47 2.14 0.0 0.0 0
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227038 87559866 2 NO5C32H44 AB5C32D44 -463.78 5.09 -9.09 -0.22 0
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227039 87559868 1 CoSC2O2H4 ABC2D2E4 -62.07 10.17 0.0 0.0 1
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227040 87559874 1 NSO5C13H26 ABC5D13E26 -185.21 5.94 0.0 0.0 0
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227041 87559875 1 ZrF4O4C11H22 AB4C4D11E22 -510.68 7.03 -8.41 -0.46 0
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227042 87559876 2 O3C5H11 A3B5C11 -293.57 7.96 -10.16 0.97 0
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227043 87559877 1 OC23H34 AB23C34 -36.9 1.64 -8.26 0.47 0