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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402080 135054198 1 CoOPC32H35 ABCD32E35 32.53 42.6 0.0 0.0 0
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402081 135054208 1 SiCl3N3O3C27H44 AB3C3D3E27F44 -181.42 2.29 -8.8 -0.49 0
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402082 135054209 2 OC8H9 AB8C9 -38.33 5.18 -9.74 -0.68 0
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402083 135054269 1 O2C13H24 A2B13C24 -106.09 2.2 -9.89 2.0 0
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402084 135054270 1 NO2C12H15 AB2C12D15 -79.65 6.47 -9.6 -0.26 0
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402085 135054275 1 NO2F3C28H28 AB2C3D28E28 -205.52 3.52 -9.55 -0.41 0
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402086 135054292 2 O2C9H10 A2B9C10 -118.83 4.58 -8.84 -0.19 0
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402087 135054302 1 ClO4H19C20 AB4C19D20 -117.05 5.7 -9.36 -0.62 0
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402088 135054303 1 ON2C20H22 AB2C20D22 -4.04 4.94 -8.79 0.02 0
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402089 135054304 1 O5C22H28 A5B22C28 -213.79 3.66 -8.87 0.19 0
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402090 135054309 1 Si2O3C27H40 A2B3C27D40 -151.95 3.13 -8.03 -0.5 0
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402091 135054314 1 O3H22C25 A3B22C25 -47.64 4.17 -8.81 -0.58 0
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402092 135054318 1 FO3C27H27 AB3C27D27 -122.0 2.13 -9.29 -0.62 0
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402093 135054324 1 ClN2O2H27C32 AB2C2D27E32 41.43 1.93 -8.51 -0.39 0
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402094 135054326 1 N2O2H32C33 A2B2C32D33 -8.26 4.32 -7.97 0.11 0
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402095 135054328 1 N2O2H30C33 A2B2C30D33 41.79 2.8 -8.44 -0.1 0
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402096 135054335 1 O4C19H26 A4B19C26 -142.22 3.88 -8.98 0.01 0
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402097 135054340 1 B2O5C32H40 A2B5C32D40 -326.78 4.17 -8.53 0.04 0
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402098 135054342 1 B2O4C33H42 A2B4C33D42 -295.88 2.59 -8.29 0.25 -1
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402099 135054344 1 CoB2O4C43H50 AB2C4D43E50 -195.29 26.01 0.0 0.0 0
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402100 135054346 1 BO3H37C38 AB3C37D38 -46.19 3.86 -7.82 -0.69 -1
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402101 135054356 1 CoOSi2C20H34 ABC2D20E34 -38.87 35.86 0.0 0.0 0
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402102 135054367 1 O6H20C23 A6B20C23 -175.8 3.31 -9.91 -0.83 0
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402103 135054372 1 N2O3H24C28 A2B3C24D28 -21.81 5.99 -9.1 -0.68 0
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402104 135054373 1 NO4C20H23 AB4C20D23 -131.14 2.1 -9.1 0.14 0
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402105 135054394 1 BrNOC15H16 ABCD15E16 13.19 3.06 -10.01 -1.01 0
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402106 135054398 1 OSN3C22H27 ABC3D22E27 87.69 1.29 -8.8 -0.21 0
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402107 135054400 1 NO4C17H21 AB4C17D21 -169.03 5.47 -9.83 -0.55 0
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402108 135054405 2 O2C6H7 A2B6C7 -138.58 3.11 -8.88 0.29 0
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402109 135054408 1 FNS2O3C18H22 ABC2D3E18F22 -117.05 8.78 -8.9 -0.45 0
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402110 135054414 1 SO3C46H46 AB3C46D46 0.83 5.17 -8.47 -0.17 0
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402111 135054420 1 SN2O7C17H22 AB2C7D17E22 -272.19 6.58 -9.72 -0.81 0
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402112 135054433 1 ClSiO3C23H39 ABC3D23E39 -229.8 4.51 -8.84 0.19 0
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402113 135054437 1 O4C5H10 A4B5C10 -178.03 2.08 -10.49 -0.26 0
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402114 135054439 1 PO8C9H17 AB8C9D17 -420.3 2.4 -10.17 -0.01 0
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402115 135054449 2 OC6H11 AB6C11 -136.74 1.85 -10.42 0.97 0
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402116 135054455 1 OSN2H22C24 ABC2D22E24 69.18 8.45 -8.96 -1.22 0
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402117 135054473 1 ON2C18H20 AB2C18D20 33.36 3.09 -8.93 -0.26 0
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402118 135054477 1 NO5C18H23 AB5C18D23 -215.38 5.07 -9.96 -0.3 0
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402119 135054483 1 O3C17H26 A3B17C26 -134.34 2.2 -9.06 0.5 0
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402120 135054485 1 NSO3C22H25 ABC3D22E25 -78.77 5.56 -9.36 -0.47 0
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402121 135054487 1 N2O3H12C14 A2B3C12D14 17.19 5.94 -8.82 -0.43 0
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402122 135054495 1 O6C21H26 A6B21C26 -235.87 4.91 -8.71 0.16 0
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402123 135054496 1 O5C18H20 A5B18C20 -164.73 2.08 -8.5 -0.26 0
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402124 135054497 1 BrNSO3C22H24 ABCD3E22F24 -73.47 7.02 -9.34 -0.51 0
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402125 135054507 1 NO7C32H37 AB7C32D37 -265.45 3.76 -8.64 -0.6 0
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402126 135054513 1 FO2C12H13 AB2C12D13 -112.22 5.28 -9.78 -0.11 -1
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402127 135054520 1 CoOC31H36 ABC31D36 41.59 16.78 0.0 0.0 0
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402128 135054528 1 NSO3C20H25 ABC3D20E25 -63.11 6.26 -9.27 -0.42 0
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402129 135054539 2 O5C18H20 A5B18C20 -361.62 5.13 -8.99 -0.04 0