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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392552 135017137 1 SN3O8C26H47 AB3C8D26E47 -452.06 3.05 -8.57 0.43 0
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392553 135017138 1 ISi3O8C56H103 AB3C8D56E103 -203.42 10.08 -7.92 -0.83 0
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392555 135017147 1 SN2O2H28C31 AB2C2D28E31 54.69 5.37 -8.26 -0.36 0
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392556 135017152 1 N2S2O3H12C14 A2B2C3D12E14 -30.33 3.62 -9.32 -1.33 0
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392557 135017153 1 NO6C18H29 AB6C18D29 -273.83 4.04 -9.9 0.2 0
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392558 135017154 1 NO6C15H23 AB6C15D23 -273.09 3.16 -10.02 0.08 0
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392559 135017157 1 ON4H20C23 AB4C20D23 116.52 8.21 -9.16 -1.17 0
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392560 135017166 1 SO2H20C23 AB2C20D23 15.82 1.7 -8.58 -0.34 0
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392561 135017170 1 O15C42H50 A15B42C50 -586.08 3.92 -9.2 0.38 0
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392562 135017171 1 SO7H26C28 AB7C26D28 -219.44 3.1 -8.77 -0.71 1
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392563 135017173 1 SN3O6C15H28 AB3C6D15E28 -287.69 6.79 0.0 0.0 2
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392564 135017175 2 SN3O6C11H19 AB3C6D11E19 -536.08 12.22 -9.2 -0.93 0
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392565 135017180 1 OSiC20H42 ABC20D42 -160.29 1.31 -8.72 1.29 0
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392566 135017183 1 NSO3H21C25 ABC3D21E25 -22.57 7.03 -8.75 -0.66 0
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392567 135017186 1 OSiN3C17H27 ABC3D17E27 -14.79 3.61 -8.97 -0.26 0
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392568 135017190 1 N3O3C21H22 A3B3C21D22 -76.02 6.58 0.0 0.0 0
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392569 135017214 1 BrN3C18H18 AB3C18D18 69.33 5.45 -8.86 -0.96 0
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392570 135017226 1 PO5C17H17 AB5C17D17 -223.22 3.35 -9.17 -1.41 0
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392571 135017240 1 NH13C14 AB13C14 96.34 3.44 -8.13 -0.37 0
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392572 135017243 3 NS2O4C14H23 AB2C4D14E23 -626.31 7.5 -8.79 -1.2 0
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392574 135017264 1 SiO3C13H26 AB3C13D26 -208.6 2.09 -8.81 0.39 0
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392575 135017267 1 NO4C15H19 AB4C15D19 -96.64 3.48 -9.83 -0.4 0
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392576 135017268 1 OC17H30 AB17C30 -69.22 1.98 -9.96 1.24 0
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392577 135017270 1 O4H30C33 A4B30C33 -72.79 1.07 -8.78 -0.89 0
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392578 135017272 1 O4H26C35 A4B26C35 -25.1 1.62 -8.83 -0.76 0
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392579 135017273 1 NSO8C41H61 ABC8D41E61 -331.5 6.47 -9.05 -0.46 0
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392580 135017274 1 SiSnO2C27H50 ABC2D27E50 -118.93 1.01 -8.8 0.41 0
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392581 135017275 1 SiF3C19H19 AB3C19D19 -120.91 4.02 -9.14 -0.59 0
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392582 135017276 1 LiN2O2C18H19 AB2C2D18E19 -62.1 9.62 -7.75 -0.36 0
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392583 135017277 2 NOC9H10 ABC9D10 -33.46 4.36 -8.52 -0.12 0
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392584 135017278 1 FN2O2C18H19 AB2C2D18E19 -99.93 1.29 -9.52 -0.71 0
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392585 135017279 1 FN2O2C18H19 AB2C2D18E19 -101.5 2.97 -9.61 0.03 0
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392587 135017282 1 SN3O5C30H43 AB3C5D30E43 -207.31 4.49 -8.49 -0.19 0
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392588 135017283 1 SN3O5C30H45 AB3C5D30E45 -219.34 4.4 -8.26 -0.17 0
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392589 135017287 1 NO5C16H29 AB5C16D29 -237.42 4.69 -8.97 1.19 0
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392590 135017289 1 NO5C23H39 AB5C23D39 -255.11 5.18 -8.94 0.19 0
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392591 135017291 1 NO7C34H47 AB7C34D47 -322.12 3.25 -8.82 -0.38 0
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392592 135017292 1 NO5C19H37 AB5C19D37 -287.02 5.54 -8.87 1.49 0
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392593 135017293 1 NO5C26H41 AB5C26D41 -244.05 2.37 -8.96 0.3 0
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392594 135017296 1 NSi2O5C22H47 AB2C5D22E47 -381.25 2.87 -8.81 0.54 0
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392595 135017297 2 NSiO2C11H22 ABC2D11E22 -300.36 4.27 -8.73 0.19 0
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392596 135017300 2 O2C8H11 A2B8C11 -161.45 2.63 -8.75 -0.22 0
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392597 135017304 1 NSiO3C13H27 ABC3D13E27 -125.51 4.77 -8.9 -0.44 0
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392598 135017305 1 FO4H13C15 AB4C13D15 -169.18 2.89 -9.74 -0.66 0
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392600 135017308 1 NO7C18H25 AB7C18D25 -297.36 9.29 -9.34 -0.76 0
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392601 135017316 2 SiC14H19 AB14C19 23.89 1.28 -9.09 0.15 0
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392602 135017319 1 NCl3O7C26H28 AB3C7D26E28 -257.33 3.41 -9.35 -0.57 0
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392603 135017323 1 FOH15C21 ABC15D21 13.07 3.85 -9.43 -0.74 0
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392604 135017326 1 NO8C33H35 AB8C33D35 -109.04 7.39 -9.22 -0.83 0
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392605 135017331 1 NOC21H21 ABC21D21 -2.39 6.12 -8.35 -0.07 0