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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
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181723 76782421 1 SN2O3C15H18 AB2C3D15E18 -84.26 3.71 -8.97 -0.98 0
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181724 76783311 1 SSiO7N8C43H54 ABC7D8E43F54 -213.46 9.41 -8.2 -0.69 0
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181725 76783369 1 BrN3O3C20H24 AB3C3D20E24 -118.29 2.13 -8.36 -0.81 0
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181726 76783930 1 OC25H34 AB25C34 -61.17 3.59 -8.87 0.49 0
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181727 76784024 1 ClO2S3N4H9C13 AB2C3D4E9F13 72.82 5.43 -8.84 -1.08 0
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181728 76784025 1 SN2O3H22C26 AB2C3D22E26 33.05 5.1 -9.31 -0.95 0
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181729 76784058 1 SO2N5C25H35 AB2C5D25E35 -37.25 8.17 -8.81 -0.7 0
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181730 76784540 1 NSO4C12H13 ABC4D12E13 -140.13 4.87 -9.3 -0.45 0
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181731 76784923 1 ClF2N2O3H19C21 AB2C2D3E19F21 -150.95 4.81 -9.52 -1.52 0
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181732 76784924 1 ClN3O3H20C21 AB3C3D20E21 -10.98 5.74 -9.16 -0.93 0
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181733 76784925 1 ClF3N3O3H19C21 AB3C3D3E19F21 -206.12 1.76 -9.6 -1.35 0
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181734 76785180 109 OC2H4 AB2C4 -4512.62 2.71 -9.86 0.61 0
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181735 76785753 1 PO4N5C29H42 AB4C5D29E42 -101.01 6.89 -8.31 -0.88 0
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181736 76786316 1 ClN3O4C37H46 AB3C4D37E46 -122.92 6.57 -7.92 -0.22 0
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181737 76786914 1 SF2O4N6C33H46 AB2C4D6E33F46 -203.71 13.67 -8.41 -1.08 0
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181738 76786915 1 SF2N5O5C31H41 AB2C5D5E31F41 -244.56 6.85 -8.68 -1.16 0
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181739 76786916 1 SF2O4N8C32H40 AB2C4D8E32F40 -145.52 11.77 -8.43 -0.94 0
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181740 76786917 1 SF3O4N5C25H28 AB3C4D5E25F28 -230.56 3.62 -8.76 -1.25 0
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181741 76787013 1 O3C14H24 A3B14C24 -146.98 3.66 -9.8 0.11 0
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181742 76787014 1 SO3N8C33H42 AB3C8D33E42 -5.84 3.87 -8.54 -1.06 0
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181743 76787015 1 SO4N5H29C30 AB4C5D29E30 -67.72 6.86 -8.77 -1.5 0
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181744 76787206 1 N2O2C23H30 A2B2C23D30 -57.48 3.96 -8.86 -0.29 0
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181745 76787437 1 ClO2F3N3H17C21 AB2C3D3E17F21 -162.64 4.76 -9.5 -0.92 1
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181746 76787438 1 N2F3C10H14 A2B3C10D14 -127.69 7.27 0.0 0.0 0
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181747 76787439 1 N2F3C10H13 A2B3C10D13 -145.2 4.21 -9.74 -1.02 0