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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176677 76081869 1 SN2O3C13H14 AB2C3D13E14 -106.06 9.08 -8.65 -0.58 0
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176678 76082137 1 ClS2N4O6H25C29 AB2C4D6E25F29 -118.01 3.16 -8.76 -1.06 0
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176679 76082146 1 S2N4O5C20H22 A2B4C5D20E22 -159.64 11.51 -9.25 -1.13 0
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176680 76082147 1 ON5C13H13 AB5C13D13 57.45 4.71 -9.95 -0.76 0
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176681 76082148 1 C27H44 A27B44 -35.64 0.28 -9.82 2.04 1
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176682 76082249 1 S3O5N6C22H23 A3B5C6D22E23 -26.66 6.31 0.0 0.0 0
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176683 76082620 1 SN13O15C52H79 AB13C15D52E79 -682.29 14.51 -9.42 -0.56 0
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176684 76082621 1 N2O9C32H44 A2B9C32D44 -388.85 3.83 -9.53 0.07 0
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176685 76082804 1 SO10C12H22 AB10C12D22 -447.89 1.54 -9.72 -0.39 0
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176686 76082805 1 BrNO3C20H22 ABC3D20E22 -80.42 3.92 -8.96 -0.34 0
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176687 76082806 1 OC21H32 AB21C32 -61.1 1.73 -8.41 0.39 0
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176688 76082807 1 N2O5C18H20 A2B5C18D20 -160.38 2.1 -9.81 -0.29 0
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176689 76083040 1 N4O4C27H28 A4B4C27D28 -44.59 7.82 -9.42 -1.93 0
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176690 76083056 1 SO2N3C13H19 AB2C3D13E19 -75.69 2.74 -9.19 0.2 0
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176691 76083057 1 OC28H48 AB28C48 -126.63 2.26 -9.02 1.57 1
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176692 76083058 1 ON4C20H23 AB4C20D23 104.78 4.75 0.0 0.0 0
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176693 76083059 1 NO5C12H23 AB5C12D23 -267.12 4.44 -9.99 0.09 0
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176694 76083888 1 NO13C40H71 AB13C40D71 -624.7 5.69 -8.95 0.17 0
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176695 76083956 1 NO4C13H21 AB4C13D21 -152.64 4.72 -10.2 -0.32 0
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176696 76083957 1 S4O6N9C18H21 A4B6C9D18E21 -45.3 8.65 -9.28 -1.49 0
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176697 76083964 2 N2O2C7H12 A2B2C7D12 -210.21 1.94 -9.65 0.31 0
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176698 76083965 1 NSO3C15H21 ABC3D15E21 -123.06 3.92 -8.65 0.19 0
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176699 76083966 1 SO3C18H34 AB3C18D34 -189.58 5.86 -8.96 0.54 0
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176700 76083967 1 S2N4O7C21H26 A2B4C7D21E26 -198.98 3.25 -8.83 -0.99 0
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176701 76083968 1 BN2O13C35H57 AB2C13D35E57 -655.51 12.39 -8.94 -0.05 0