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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9728 92658 2 OC7H11 AB7C11 -108.98 1.09 -8.96 1.5 0
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9729 92659 1 O2C11H20 A2B11C20 -131.67 2.48 -9.68 2.34 0
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9730 92660 1 OCl2N3C9H9 AB2C3D9E9 -8.04 3.86 -9.1 -0.84 0
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9731 92661 1 NO2C13H25 AB2C13D25 -120.97 2.34 -9.92 0.8 0
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9732 92678 1 N2O3C18H22 A2B3C18D22 -98.55 3.88 -8.74 -0.89 0
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9733 92688 2 Br2O2H5C6 A2B2C5D6 -145.08 3.29 -9.8 -1.25 0
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9734 92691 1 NC26H55 AB26C55 -122.64 1.9 -8.79 3.14 0
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9735 92863 1 NSO2C5H11 ABC2D5E11 -107.43 3.74 -9.56 -0.11 0
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9736 92865 1 N2O7C10H16 A2B7C10D16 -328.92 6.66 -10.58 -0.16 0
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9737 92885 1 O3C20H32 A3B20C32 -184.79 7.13 -9.66 0.71 0
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9738 92890 1 O2C9H10 A2B9C10 -69.69 0.79 -9.02 -0.01 0
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9739 92891 1 N3O3C4H9 A3B3C4D9 -136.66 6.16 -10.09 0.46 0
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9740 92901 1 SN2O5C17H20 AB2C5D17E20 -175.69 5.34 -9.1 -0.6 0
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9741 92916 1 Na4S4N5O12H15C26 A4B4C5D12E15F26 -516.12 28.58 -8.17 -1.97 0
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9742 92919 1 N5O5C12H17 A5B5C12D17 -147.78 10.45 -9.29 -0.29 0
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9743 92929 1 O6N7C20H21 A6B7C20D21 -163.39 5.5 -9.01 -1.62 0
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9744 92948 1 O2H10C11 A2B10C11 -26.63 2.88 -9.71 -1.01 0
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9745 92991 1 OC7H12 AB7C12 -63.69 3.16 -9.8 0.79 0
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9746 93011 1 ClNO2C6H10 ABC2D6E10 -96.33 4.07 -9.82 -0.44 0
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9747 93036 1 BrPN2O8C9H12 ABC2D8E9F12 -400.8 4.27 -9.86 -0.88 0
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9748 93045 1 O10C15H24 A10B15C24 -450.27 1.61 -10.01 0.28 0
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9749 93046 1 OC10H16 AB10C16 -20.6 2.91 -9.94 2.23 0
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9750 93052 1 O2C7H13 A2B7C13 -64.41 3.85 0.0 0.0 -1
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9751 93053 1 SBr2C4H8 AB2C4D8 -11.0 0.13 -9.23 -0.84 0
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9752 93056 1 OCl4C6H10 AB4C6D10 -96.48 1.68 -10.48 -0.12 0
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9753 93057 1 O2C21H28 A2B21C28 -101.67 7.5 -9.09 -0.27 0
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9754 93060 1 ON2C22H44 AB2C22D44 -107.3 3.53 -9.73 0.93 0
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9755 93065 1 C19H40 A19B40 -98.67 0.05 -10.45 3.95 0
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9756 93072 1 N2C5O5H8 A2B5C5D8 -224.71 4.57 -10.82 -0.43 0
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9757 93076 1 HO4C9F17 AB4C9D17 -1025.77 2.75 -12.21 -1.8 0
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9758 93080 3 OC3H6 AB3C6 -109.58 2.52 -9.89 1.08 0
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9759 93081 3 C5H8 A5B8 -12.63 1.25 -9.28 1.4 0
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9760 93082 1 P3N5C11O13H18 A3B5C11D13E18 -692.79 7.89 -9.54 -0.7 0
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9761 93083 2 NC2H4 AB2C4 24.11 4.75 -9.59 1.28 0
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9762 93086 1 NO4C9H9 AB4C9D9 -141.38 4.25 -9.66 -0.61 0
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9763 93087 1 ON2C5H12 AB2C5D12 -14.22 4.52 -9.3 0.48 0
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9764 93089 1 SO7C19H40 AB7C19D40 -356.49 3.38 -9.71 -1.01 0
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9765 93110 1 ClN2H6C7 AB2C6D7 61.88 1.72 0.0 0.0 1
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9766 93111 1 O3C7H10 A3B7C10 -110.43 4.34 -9.01 -0.42 0
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9767 93118 1 O3H18C20 A3B18C20 -65.41 2.12 -8.83 0.05 0
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9768 93129 1 NOH2Cl5C7 ABC2D5E7 -2.11 1.0 -9.74 -1.4 0
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9769 93136 1 O11C20H20 A11B20C20 -391.66 11.55 -9.14 -1.64 0
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9770 93164 1 N2C13H24 A2B13C24 -12.78 5.34 -9.25 0.83 0
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9771 93185 2 NOC2H4 ABC2D4 -36.26 4.83 -9.45 0.1 0
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9772 93197 1 PC2O5H9 AB2C5D9 -302.01 3.41 -10.05 0.58 0
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9773 93234 1 ClSN4H17C19 ABC4D17E19 114.35 3.51 -8.04 -0.71 0
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9774 93250 1 ClON2F4H11C17 ABC2D4E11F17 -182.47 4.92 -9.54 -1.11 0
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9775 93269 1 O2C5H12 A2B5C12 -113.28 2.67 -10.05 1.9 0
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9776 93273 1 PtN2C3O5H8 AB2C3D5E8 -112.67 5.0 -9.02 -1.2 0
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9777 93276 1 O9C21H32 A9B21C32 -353.72 1.45 -9.63 -0.43 0