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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181698 76778720 1 ClOC15H15 ABC15D15 -34.5 1.5 -8.4 -0.53 0
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181699 76778752 1 ClN2O7C33H37 AB2C7D33E37 -238.58 5.48 -8.37 -0.92 0
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181700 76779591 1 SN5O5C26H29 AB5C5D26E29 -117.75 7.6 -9.61 -0.76 0
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181701 76779897 1 N2O4C21H22 A2B4C21D22 -82.04 3.37 -9.31 -0.82 0
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181702 76780247 1 NO5C40H55 AB5C40D55 -188.71 7.99 -9.24 -0.65 0
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181703 76780551 1 PN2O25C69H125 AB2C25D69E125 -1338.18 4.0 -9.32 0.33 0
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181704 76781113 1 N5O7C45H63 A5B7C45D63 -221.65 7.57 -7.96 0.22 0
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181705 76781863 1 FSN3O5C23H24 ABC3D5E23F24 -193.43 7.54 -8.97 -1.56 0
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181706 76781864 1 FNO5C14H16 ABC5D14E16 -179.86 4.75 -10.08 -1.34 0
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181707 76781865 1 N2C7H16 A2B7C16 -3.24 2.06 -8.44 2.38 0
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181708 76781866 1 FSN3O5C22H22 ABC3D5E22F22 -200.34 6.6 -9.02 -1.57 0
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181709 76781867 1 FNO5C12H12 ABC5D12E12 -159.66 6.07 -10.04 -1.38 0
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181710 76781868 1 FSN4O4C22H23 ABC4D4E22F23 -157.55 7.58 -8.81 -1.4 0
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181711 76781869 1 FSN3O4C20H20 ABC3D4E20F20 -154.05 5.23 -8.77 -1.34 -1
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181712 76782000 1 SZnN6O8C42H49 ABC6D8E42F49 -118.6 3.59 0.0 0.0 -1
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181713 76782001 1 ZnS2N5O17C65H76 AB2C5D17E65F76 -463.98 7.73 0.0 0.0 0
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181714 76782002 1 SN5O14C64H73 AB5C14D64E73 -474.93 7.02 -8.49 -1.45 -1
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181715 76782003 1 ZnN6O14C49H55 AB6C14D49E55 -395.35 5.75 0.0 0.0 0
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181716 76782004 1 N6O14C49H56 A6B14C49D56 -462.56 4.69 -8.48 -1.28 0
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181717 76782037 1 SN4O8C37H38 AB4C8D37E38 -224.65 3.84 -8.42 -1.47 -1
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181718 76782038 1 SZnN7O12C46H50 ABC7D12E46F50 -314.43 3.16 0.0 0.0 0
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181719 76782044 1 SN4O10C38H38 AB4C10D38E38 -298.93 8.24 -8.43 -1.53 0
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181720 76782123 1 NOC21H27 ABC21D27 -11.76 2.3 -8.77 0.34 0
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181721 76782313 1 SO2N3C15H19 AB2C3D15E19 -37.97 5.89 -8.75 -0.85 0
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181722 76782314 2 NOC7H10 ABC7D10 -43.79 5.31 -8.23 -0.56 0