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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410253 135083044 1 PN2O9C10H15 AB2C9D10E15 -447.42 6.08 -9.95 -0.56 0
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410254 135083045 1 PN2O9C10H15 AB2C9D10E15 -451.36 7.1 -9.77 -0.34 0
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410255 135083046 1 C7O8H10 A7B8C10 -263.21 3.72 -10.61 -0.4 1
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410256 135083047 1 OSeC3H3 ABC3D3 2.88 1.02 0.0 0.0 0
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410257 135083048 1 NOC12H15 ABC12D15 20.64 3.99 -9.39 -0.18 0
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410258 135083049 1 NOC12H15 ABC12D15 46.99 2.99 -8.83 -0.24 0
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410259 135083050 2 FNC6H9 ABC6D9 -92.06 3.31 -9.32 -0.42 0
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410260 135083051 1 STeN3H9C13 ABC3D9E13 130.76 4.74 -8.9 -2.05 0
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410261 135083052 2 NaOH5C7 ABC5D7 -85.86 4.62 -5.34 0.69 0
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410262 135083053 1 BiNI2C9H12 ABC2D9E12 40.52 9.1 -8.78 -1.64 0
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410263 135083054 1 AuSF3C10H10 ABC3D10E10 -42.49 2.41 -7.94 -1.25 0
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410264 135083055 2 AuPC6H12 ABC6D12 31.83 13.46 -7.73 0.5 -1
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410265 135083056 1 PC6H12 AB6C12 24.41 4.13 0.0 0.0 -2
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410268 135083059 1 AuNC13H16 ABC13D16 149.74 1.71 -8.79 -0.64 0
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410269 135083060 1 AuPF5H15C26 ABC5D15E26 -23.47 9.04 -8.81 -1.06 -1
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410270 135083061 1 PAu2Cl2C14H14 AB2C2D14E14 188.78 6.81 0.0 0.0 0
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410274 135083065 1 PN2S2C27H27 AB2C2D27E27 87.99 7.18 -8.05 -0.86 0
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410276 135083067 1 AuPH22C23 ABC22D23 245.51 3.22 -8.64 -0.64 0
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410278 135083069 1 N2O7C24H24 A2B7C24D24 -232.54 2.19 -8.92 -0.8 0
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410279 135083070 1 BNO2C13H22 ABC2D13E22 -165.38 2.47 -8.57 1.32 0
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410281 135083072 1 BO4C18H25 AB4C18D25 -236.13 4.51 -9.18 -0.55 0
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410282 135083073 1 BO8C16H25 AB8C16D25 -420.38 4.61 -9.85 0.06 0
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410283 135083074 1 BGeC14H25 ABC14D25 22.63 0.48 -9.22 0.47 0
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410284 135083075 3 OC4H6 AB4C6 -106.93 4.54 -9.91 -0.35 0
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410285 135083076 2 OC7H7 AB7C7 -41.92 6.07 -9.49 -1.44 0
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410286 135083077 2 OC8H11 AB8C11 -80.72 1.35 -9.33 0.4 0
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410287 135083078 1 O3N4H12C13 A3B4C12D13 15.82 5.77 -9.11 -1.09 0
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410288 135083079 1 O3C18H22 A3B18C22 -127.98 3.29 -8.66 -0.02 0
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410289 135083080 1 PN2O5C9H17 AB2C5D9E17 -291.74 2.64 -10.42 -0.24 0
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410290 135083081 1 NSbO3Cl6C18H20 ABC3D6E18F20 -196.16 23.76 -10.09 -1.95 1
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410291 135083082 1 NO3C18H20 AB3C18D20 -66.33 2.47 0.0 0.0 0
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410292 135083083 1 NSbO3Cl6C16H24 ABC3D6E16F24 -239.09 23.56 -9.75 -2.39 1
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410293 135083084 1 NO3C16H24 AB3C16D24 -110.56 4.57 0.0 0.0 0
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410294 135083085 1 PN2H5C6 AB2C5D6 60.77 3.06 -8.42 -0.8 0
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410295 135083086 1 NPH8C11 ABC8D11 61.73 3.16 -7.99 -0.63 0
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410296 135083087 1 SO5C12H20 AB5C12D20 -242.36 2.02 -9.11 0.14 0
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410297 135083088 2 OC5H9 AB5C9 -119.29 3.44 -9.54 0.73 0
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410298 135083089 1 FeN8F16C32 AB8C16D32 -288.63 4.49 -8.94 -2.59 0
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410299 135083090 1 BO2C15H27 AB2C15D27 -171.55 1.97 -8.59 1.01 0
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410300 135083091 1 BO2C11H19 AB2C11D19 -110.2 1.19 -8.98 0.5 0
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410302 135083093 1 KC10H11 AB10C11 58.27 9.99 -6.11 0.18 0
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410305 135083096 1 O9C16H16 A9B16C16 -289.99 4.28 -10.73 -1.41 0
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410306 135083097 1 SF3O4C11H15 AB3C4D11E15 -341.21 3.87 -10.22 -1.4 0
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410310 135083102 1 Si2C11H24 A2B11C24 -50.92 0.57 -8.63 0.68 0
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410312 135083104 1 PC13H19 AB13C19 5.94 1.61 -8.79 -0.19 0
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410313 135083105 3 BNSi4C9H28 ABC4D9E28 -377.03 0.08 -7.09 -0.19 0
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410314 135083106 1 PbN2S4H18C26 AB2C4D18E26 193.55 3.67 -8.67 -2.37 0
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410315 135083108 1 B3N3Si4C14H42 A3B3C4D14E42 -227.54 0.2 -7.3 -0.1 0
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410316 135083109 1 BPSiC18H35 ABCD18E35 65.13 2.22 0.0 0.0 0
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410317 135083110 1 BLiO3Si4C12H36 ABC3D4E12F36 -322.11 6.22 -6.63 0.3 -1