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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224054 85337632 1 SN5O6C24H41 AB5C6D24E41 -303.38 6.57 -9.16 -0.49 0
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224055 85337649 1 BrO2N6C25H33 AB2C6D25E33 -2.87 3.12 -8.88 -0.7 0
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224056 85337655 1 ClFNSO6C25H33 ABCDE6F25G33 -280.92 2.03 -9.26 -0.76 0
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224057 85337656 1 N2O6F7C21H21 A2B6C7D21E21 -606.85 3.28 -10.38 -1.44 0
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224058 85337689 1 ClN4O4C29H29 AB4C4D29E29 -66.14 9.4 -8.73 -0.75 0
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224060 85337711 1 SO2N4C31H42 AB2C4D31E42 -29.24 7.6 -8.18 -0.21 0
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224061 85337723 1 SP3N5C11O12H18 AB3C5D11E12F18 -666.46 6.18 -9.5 -1.0 0
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224062 85337726 1 N5O8C25H39 A5B8C25D39 -365.82 5.83 -9.38 -0.33 0
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224063 85337727 1 O4N5C31H31 A4B5C31D31 -96.06 6.58 -8.95 -0.92 0
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224064 85337742 1 SN5H21C24 AB5C21D24 140.05 2.44 -8.2 -0.52 0
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224065 85337745 1 OF4N5C29H29 AB4C5D29E29 -147.35 9.53 -8.66 -0.98 0
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224066 85337751 1 SO3N4F6C22H26 AB3C4D6E22F26 -373.62 2.57 -8.84 -1.03 0
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224067 85337757 1 Cl3N3O4C25H28 A3B3C4D25E28 -142.56 7.08 -8.9 -0.9 0
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224068 85337773 1 O4C35H58 A4B35C58 -280.13 3.98 -9.32 0.51 0
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224069 85337774 1 SN3O5H29C30 AB3C5D29E30 -75.57 8.0 -9.19 -1.09 0
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224070 85337797 1 FS2N3O3C28H36 AB2C3D3E28F36 -122.01 4.14 -8.67 -0.55 0
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224071 85337813 1 BClN4O4C29H34 ABC4D4E29F34 -143.28 5.19 -8.48 -0.62 0
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224072 85337823 1 BrNS2O6C22H32 ABC2D6E22F32 -250.97 3.46 -9.39 -0.45 0
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224073 85337871 2 N3O3C14H22 A3B3C14D22 -217.59 8.4 -7.85 -1.11 0
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224074 85337873 4 OC9H15 AB9C15 -284.5 2.52 -9.27 0.7 0
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224075 85337876 1 N5O5C31H35 A5B5C31D35 -126.43 9.6 -9.01 -0.15 0
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224076 85337877 1 O3N7C31H43 A3B7C31D43 -40.09 7.02 -8.18 -0.76 0
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224077 85337903 4 NO2C7H10 AB2C7D10 -243.1 3.22 -9.76 -1.21 0
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224078 85337918 1 SF3N4O5H25C26 AB3C4D5E25F26 -247.95 5.62 -9.02 -0.76 0
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224079 85337922 1 FO5N6C29H31 AB5C6D29E31 -168.96 3.75 -8.75 -0.64 1
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224080 85337930 1 IO2N3H27C28 AB2C3D27E28 36.05 6.47 0.0 0.0 0
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224081 85337941 1 Cl3O3N6C25H31 A3B3C6D25E31 -87.63 3.42 -8.59 -1.02 0
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224082 85337953 1 O2F3N7C29H34 A2B3C7D29E34 -139.61 7.3 -8.61 -0.67 0
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224083 85337954 1 SN5O5C29H33 AB5C5D29E33 -80.37 8.19 -8.94 -2.16 0
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224084 85337996 1 O5C36H58 A5B36C58 -287.13 3.2 -9.06 0.15 0
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224085 85338008 1 N4O7C31H32 A4B7C31D32 -225.56 0.61 -8.78 -0.32 0
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224086 85338013 1 N9O9C22H39 A9B9C22D39 -411.97 10.43 -9.56 -0.28 0
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224087 85338019 1 Cl2O3N5C29H37 A2B3C5D29E37 -58.89 9.85 -8.3 -0.63 0
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224088 85338062 1 F3N4O5C29H39 A3B4C5D29E39 -401.39 5.79 -9.0 -0.96 0
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224089 85338088 1 BrON6C31H37 ABC6D31E37 30.25 7.22 -8.07 -0.28 0
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224090 85338093 1 ClO3N5C32H48 AB3C5D32E48 -158.25 2.92 -8.82 0.07 0
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224091 85338095 1 SO5N6C30H42 AB5C6D30E42 -122.11 11.09 -8.66 -0.4 0
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224092 85338097 1 O3N4C36H50 A3B4C36D50 -131.19 8.84 -8.48 -0.04 0
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224093 85338104 1 F3N7C33H36 A3B7C33D36 -42.06 5.05 -8.69 -0.82 0
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224095 85338119 1 SN3O8C29H39 AB3C8D29E39 -295.74 7.12 -8.52 -0.23 0
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224096 85338121 1 ClON3C38H40 ABC3D38E40 35.48 5.86 -8.8 -0.39 0
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224097 85338139 1 F2N3O3C35H45 A2B3C3D35E45 -214.14 2.64 -9.18 -0.63 0
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224098 85338150 1 SN3O5C33H45 AB3C5D33E45 -178.53 7.21 -8.63 -0.53 0
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224099 85338164 1 SO5N8C28H42 AB5C8D28E42 -124.62 4.89 -8.7 -1.17 0
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224100 85338169 1 ClSN4O7H27C28 ABC4D7E27F28 -144.36 8.49 -8.42 -1.43 0
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224101 85338180 1 N7O7C29H43 A7B7C29D43 -320.24 7.94 -8.7 0.1 0
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224102 85338190 1 OSN6C36H38 ABC6D36E38 80.52 5.5 -8.53 -1.1 0
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224103 85338191 1 IN3O6C25H38 AB3C6D25E38 -262.38 3.25 -8.91 -0.72 0
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224104 85338205 1 O6N7C30H51 A6B7C30D51 -316.26 7.5 -8.96 0.34 0
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224105 85338214 1 N3O5C37H41 A3B5C37D41 -178.92 2.38 -8.49 -0.35 0
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224106 85338218 1 O15C28H32 A15B28C32 -582.47 9.42 -9.34 -1.08 0
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224107 85338262 1 ClSN4O4C32H43 ABC4D4E32F43 -150.98 5.51 -9.31 -0.81 0
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224108 85338289 1 SF3N4O6C29H31 AB3C4D6E29F31 -326.42 7.68 -9.47 -1.36 0
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224109 85338298 1 F2N3O5C35H43 A2B3C5D35E43 -298.33 12.17 -9.11 -0.33 0
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224110 85338343 1 O3N4H30C32 A3B4C30D32 -32.02 6.27 -8.42 -0.62 0
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224111 85338344 1 N6O9C30H44 A6B9C30D44 -425.86 13.13 -9.61 -0.3 0
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224112 85338347 1 SCl2O5N6C28H30 AB2C5D6E28F30 -134.2 2.75 -8.88 -1.34 0
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224113 85338348 1 InN5O8C24H33 AB5C8D24E33 -172.69 11.58 0.0 0.0 0
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224114 85338349 1 SNa2O6N7H25C28 AB2C6D7E25F28 -166.25 68.44 -6.73 -2.91 0
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224115 85338354 1 O4N5C38H43 A4B5C38D43 -116.38 2.91 -8.83 -0.4 0
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224116 85338355 1 Cl2N3O5C33H45 A2B3C5D33E45 -243.13 3.84 -8.77 -0.93 0
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224117 85338366 1 ClI2O4H19C22 AB2C4D19E22 -50.78 4.43 -9.02 -1.26 1
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224118 85338426 1 S2N7O9C26H30 A2B7C9D26E30 -174.67 6.67 0.0 0.0 0
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224119 85338431 1 ClN3O6C36H44 AB3C6D36E44 -235.39 7.23 -8.55 -0.72 0
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224120 85338441 1 N2O7C39H42 A2B7C39D42 -188.54 7.28 -8.48 -0.08 0
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224121 85338442 1 N3O8C36H49 A3B8C36D49 -375.23 8.54 -9.37 -1.05 2
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224122 85338472 1 SNa2N6O8H20C29 AB2C6D8E20F29 -145.18 20.73 -6.71 -2.05 0
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224123 85338484 1 SCl2N5O5C31H35 AB2C5D5E31F35 -153.21 6.92 -8.7 -0.98 0
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224125 85338499 1 SO5N6C35H46 AB5C6D35E46 -107.92 9.6 -8.51 -0.88 0
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224126 85338521 1 O11C36H58 A11B36C58 -576.89 3.16 -10.3 0.02 0
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224127 85338527 1 SF2N4O7C32H46 AB2C4D7E32F46 -407.19 7.81 -9.7 -0.91 0
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224128 85338528 1 N6O7C35H52 A6B7C35D52 -324.9 7.33 -8.9 0.09 0
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224129 85338552 1 O11N13C24H31 A11B13C24D31 -93.15 3.23 -10.22 -1.67 0
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224130 85338553 1 BrS2N4O5C30H37 AB2C4D5E30F37 -159.25 9.66 -9.06 -1.07 0
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224131 85338556 1 SCl2N3O6H31C34 AB2C3D6E31F34 -161.61 5.78 -8.32 -0.85 0