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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217652 85088164 1 SiO3C22H44 AB3C22D44 -254.13 3.63 -9.59 0.79 0
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217653 85088166 1 Cl2O3N4C16H18 A2B3C4D16E18 58.75 35.59 -6.41 -3.07 2
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217654 85088167 1 O3N4C16H18 A3B4C16D18 -7.08 6.3 -8.24 -0.44 0
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217655 85088169 1 O3N7C18H23 A3B7C18D23 -41.35 5.14 -8.56 -0.84 0
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217656 85088171 1 NO4C23H31 AB4C23D31 -153.03 7.08 -9.06 -0.37 0
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217657 85088172 1 NO2C26H27 AB2C26D27 -6.34 2.93 -8.82 0.05 0
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217658 85088175 1 O7C21H22 A7B21C22 -205.76 5.28 -8.75 -0.42 0
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217659 85088177 1 SO3N4C19H26 AB3C4D19E26 -68.17 4.46 -8.18 -0.61 0
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217660 85088179 2 O2C12H17 A2B12C17 -170.57 4.3 -9.28 -1.53 0
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217661 85088181 1 FSiO2C23H31 ABC2D23E31 -138.69 2.1 -8.71 0.29 0
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217662 85088183 1 ClIOC16H16 ABCD16E16 -3.93 2.93 -8.95 -0.72 0
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217663 85088185 1 ClON4H21C22 ABC4D21E22 20.56 2.15 -8.8 -1.23 0
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217664 85088186 1 BrN2O2C18H31 AB2C2D18E31 -53.75 12.98 -7.63 -0.92 1
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217665 85088187 1 N2O2C18H31 A2B2C18D31 -38.47 0.1 0.0 0.0 0
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217666 85088188 1 N3O6C19H25 A3B6C19D25 -242.61 6.85 -9.82 -0.29 0
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217667 85088189 1 NPO6C18H26 ABC6D18E26 -289.06 2.84 -9.65 -1.29 0
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217668 85088191 1 N3O5C20H25 A3B5C20D25 -139.18 7.3 -9.56 -1.17 0
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217669 85088192 1 Cl2N3O3C17H23 A2B3C3D17E23 -122.93 2.06 -9.7 -1.02 0
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217670 85088193 1 PO8C17H25 AB8C17D25 -385.92 4.26 -10.15 -0.85 0
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217671 85088194 1 PO8C17H25 AB8C17D25 -382.95 3.3 -10.2 -0.64 0
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217672 85088195 4 O2C5H5 A2B5C5 -288.98 7.21 -8.86 -0.28 0
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217673 85088196 1 SO2N6H12C19 AB2C6D12E19 168.92 8.02 -9.01 -1.89 0
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217674 85088197 2 NO3C10H12 AB3C10D12 -234.0 1.85 -8.64 -0.79 0
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217675 85088198 1 N2O4C23H30 A2B4C23D30 -49.78 3.96 -9.21 -1.48 0
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217676 85088199 1 FSO3N4H17C18 ABC3D4E17F18 -63.34 13.92 -9.48 -2.07 0