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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37653 8022851 1 O2N5C22H25 A2B5C22D25 12.1 5.18 -9.1 -0.69 0
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37654 8022863 1 SN2O6H18C19 AB2C6D18E19 -171.97 2.76 -8.88 -1.13 0
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37655 8022866 1 N4O5C20H22 A4B5C20D22 -137.52 8.32 -8.94 -0.84 1
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37656 8022867 1 N4O4C16H23 A4B4C16D23 -98.18 3.07 0.0 0.0 -2
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37657 8022878 1 PO6H17C18 AB6C17D18 -182.39 2.04 -9.27 0.08 0
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37658 8022879 1 PO6C18H19 AB6C18D19 -279.67 2.87 -9.45 -0.15 0
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37659 8022885 4 OH4C5 AB4C5 -98.74 6.8 -9.34 -1.33 0
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37660 8022887 1 BrN3O4H14C16 AB3C4D14E16 -7.79 6.83 -9.29 -1.8 0
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37661 8022890 1 INO3H10C16 ABC3D10E16 12.8 1.76 -8.99 -1.9 0
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37662 8022891 1 BrN3O4H12C15 AB3C4D12E15 2.11 5.84 -9.66 -1.36 0
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37663 8022923 1 BrN3O3H18C19 AB3C3D18E19 -41.91 4.57 -8.28 -0.88 0
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37664 8022924 1 BrN3O3H18C19 AB3C3D18E19 -42.33 4.74 -8.26 -0.92 0
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37665 8022937 1 ClO2N3C18H18 AB2C3D18E18 -7.5 5.7 -8.82 -1.08 0
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37666 8022984 1 N3O4H19C20 A3B4C19D20 -89.21 5.37 -8.75 -1.24 0
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37667 8023000 1 NO4H17C18 AB4C17D18 -99.15 2.51 -8.6 -0.5 0
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37668 8023002 1 FN4O4C21H23 AB4C4D21E23 -81.63 1.97 -9.26 -1.81 0
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37669 8023006 1 O2N4C19H20 A2B4C19D20 23.9 7.05 -8.06 -1.4 0
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37670 8023009 1 N2O3C20H20 A2B3C20D20 -36.61 5.64 -8.06 -1.0 0
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37671 8023013 1 ON4C18H18 AB4C18D18 40.45 5.38 -8.08 -1.16 0
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37672 8023018 1 SN4H8C11 AB4C8D11 126.09 3.27 -9.47 -1.28 0
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37673 8023019 1 BrON3C14H20 ABC3D14E20 -16.45 7.5 -8.66 -0.02 0
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37674 8023021 1 O3N4C16H20 A3B4C16D20 -79.16 2.62 -9.39 -0.8 0
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37675 8023032 1 BrO4H11C14 AB4C11D14 -87.58 3.39 -9.92 -1.03 0
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37676 8023035 1 O7H18C19 A7B18C19 -218.39 6.74 -8.57 -0.61 0
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37677 8023055 1 SN3O5C20H21 AB3C5D20E21 -113.23 5.37 -9.2 -0.94 0
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37678 8023056 1 FN3O3C16H18 AB3C3D16E18 -99.77 4.04 -9.59 -0.57 0
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37679 8023059 1 S2O3N4C16H16 A2B3C4D16E16 -15.78 3.5 -8.74 -0.85 0
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37680 8023076 1 ClO2N6H13C18 AB2C6D13E18 38.59 2.12 -9.52 -1.2 0
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37681 8023088 1 SN3O5C18H21 AB3C5D18E21 -194.78 2.0 -9.41 -1.27 0
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37682 8023123 1 SN3O4C20H21 AB3C4D20E21 -138.57 7.55 -8.6 -1.68 0
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37683 8023171 1 OSN4C21H26 ABC4D21E26 19.54 8.13 -8.25 -0.33 0
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37684 8023197 1 S2N3O3C15H15 A2B3C3D15E15 -50.13 2.82 -9.16 -0.83 1
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37685 8023212 1 NO3C18H30 AB3C18D30 -117.04 2.58 0.0 0.0 0
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37686 8023214 1 OF3N4H19C21 AB3C4D19E21 -118.91 8.81 -9.03 -1.57 0
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37687 8023216 2 ClNOC10H12 ABCD10E12 -49.11 4.15 -8.85 -0.66 0
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37688 8023217 1 SO3N4C21H22 AB3C4D21E22 -37.94 5.83 -9.31 -1.72 0
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37689 8023282 2 NOH8C9 ABC8D9 -12.45 3.17 -8.81 -0.89 0
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37690 8023283 1 NSO3C23H27 ABC3D23E27 -92.13 7.08 -9.48 -0.17 0
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37691 8023285 1 SN2F3O3C19H19 AB2C3D3E19F19 -234.99 6.7 -9.73 -1.13 0
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37692 8023334 1 OSCl2N3C17H21 ABC2D3E17F21 -25.46 3.62 -8.56 -0.76 0
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37693 8023340 1 ClS2N4H11C16 AB2C4D11E16 118.52 2.18 -8.8 -1.12 0
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37694 8023352 1 SN2O2C21H22 AB2C2D21E22 -10.46 4.17 -8.98 -1.34 0
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37695 8023357 1 ClN2O3C21H25 AB2C3D21E25 -115.58 6.24 -9.31 -0.4 0
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37696 8023370 1 O2S2N3C18H23 A2B2C3D18E23 -37.07 7.69 -8.88 -0.55 0
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37697 8023381 1 ClSO2N3C21H22 ABC2D3E21F22 -17.53 3.82 -8.5 -0.89 1
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37698 8023387 1 SO3N4C15H17 AB3C4D15E17 26.81 5.78 0.0 0.0 0
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37699 8023388 1 O3N5H21C23 A3B5C21D23 40.12 7.03 -9.11 -1.16 0
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37700 8023394 1 OSN3C21H21 ABC3D21E21 40.64 5.92 -7.97 -1.04 0
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37701 8023401 1 ClON4C22H25 ABC4D22E25 8.41 3.92 -8.48 -0.17 0
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37702 8023431 1 NO5H13C17 AB5C13D17 -139.15 2.99 -8.55 -1.0 0