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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317136 126632607 1 N2H36C51 A2B36C51 216.31 3.57 -7.96 -0.67 0
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317137 126632609 2 NH10C12 AB10C12 99.68 3.48 -7.69 -0.32 0
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317138 126632621 1 NSO2H19C29 ABC2D19E29 48.96 4.65 -8.19 -1.27 0
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317139 126632622 1 NSO2H19C29 ABC2D19E29 50.2 6.54 -8.11 -1.25 0
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317140 126632630 1 NSO2H19C29 ABC2D19E29 47.72 4.89 -8.2 -1.21 0
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317142 126632634 1 NH25C35 AB25C35 201.05 1.44 -7.98 -0.81 0
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317144 126632641 2 N5H39C62 A5B39C62 608.84 5.21 -7.86 -0.94 0
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317145 126632643 1 ON9H75C124 AB9C75D124 573.37 4.25 -8.08 -0.96 0
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317146 126632645 1 ON8H64C106 AB8C64D106 491.33 5.57 -8.11 -0.97 0
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317147 126632647 10 NH8C13 AB8C13 633.14 3.64 -8.04 -0.91 0
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317148 126632659 1 NSO2H21C33 ABC2D21E33 68.66 7.47 -8.1 -1.13 0
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317149 126632662 1 ON7H45C70 AB7C45D70 336.48 1.44 -7.89 -1.0 0
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317150 126632664 2 ON3H20C35 AB3C20D35 302.13 1.23 -8.12 -1.04 0
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317151 126632668 1 ON9H61C99 AB9C61D99 482.75 4.2 -7.95 -1.05 0
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317152 126632669 1 O3N5H39C70 A3B5C39D70 265.74 2.39 -8.54 -1.08 0
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317155 126632672 1 O2N7H45C75 A2B7C45D75 339.9 2.28 -8.06 -1.15 0
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317158 126632681 1 O3N6H38C69 A3B6C38D69 281.11 1.47 -8.6 -1.19 0
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317159 126632683 1 N10H66C105 A10B66C105 542.06 4.26 -7.94 -1.04 0
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317160 126632686 1 ON9H73C122 AB9C73D122 570.43 4.18 -8.04 -1.37 0
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317161 126632687 1 O2N7H57C98 A2B7C57D98 427.4 1.42 -8.07 -1.43 0
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317162 126632691 1 ON8H66C110 AB8C66D110 512.05 3.79 -8.0 -1.39 0
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317163 126632696 1 ON7H53C86 AB7C53D86 405.84 2.69 -8.04 -1.45 0
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317164 126632699 2 ON3H25C43 AB3C25D43 369.96 2.49 -8.09 -1.46 0
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317165 126632703 2 ON3H21C37 AB3C21D37 323.2 1.49 -8.0 -1.47 0
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317166 126632704 1 ON8H60C98 AB8C60D98 464.25 4.55 -7.88 -1.39 0
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317167 126632706 2 N5H45C71 A5B45C71 724.52 6.37 -6.98 -1.14 0
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317168 126632718 1 N11H89C141 A11B89C141 688.55 2.69 -7.85 -1.3 0
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317169 126632719 2 N5H46C73 A5B46C73 694.28 5.24 -7.73 -1.39 0
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317170 126632720 1 N11H91C147 A11B91C147 712.95 1.36 -7.99 -1.28 0
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317172 126632723 1 N7H53C75 A7B53C75 343.81 3.44 -8.34 -0.92 0
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317173 126632729 2 N3H27C38 A3B27C38 328.19 3.99 -8.22 -0.8 0
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317174 126632733 2 N3H28C40 A3B28C40 351.07 1.75 -8.05 -1.22 0
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317175 126632734 1 SN7H47C72 AB7C47D72 358.58 2.53 -8.2 -0.94 0
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317177 126632742 1 N7H67C100 A7B67C100 435.63 3.41 -8.03 -0.95 0
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317178 126632744 1 SN7H61C97 AB7C61D97 450.15 3.3 -8.04 -0.99 0
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317179 126632748 1 S2N8H54C93 A2B8C54D93 481.27 1.01 -8.0 -1.21 0
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317180 126632757 1 SN7H49C78 AB7C49D78 384.01 0.98 -8.12 -1.21 0
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317182 126632767 1 ON5H51C78 AB5C51D78 321.99 2.69 -8.11 -1.03 0
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317183 126632779 1 ON5H49C74 AB5C49D74 307.31 3.63 -8.1 -0.88 0
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317184 126632784 1 ON6H52C83 AB6C52D83 370.63 4.21 -8.17 -1.48 0
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317186 126632795 1 ON7H59C87 AB7C59D87 362.64 2.6 -7.98 -1.22 0
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317187 126632796 1 ON7H53C82 AB7C53D82 367.02 1.16 -8.0 -1.3 0
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317188 126632797 1 ON7H53C82 AB7C53D82 370.17 1.95 -8.12 -1.16 0
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317190 126632803 1 ON7H69C109 AB7C69D109 468.63 3.96 -8.13 -1.0 0
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317191 126632809 1 ON8H66C106 AB8C66D106 474.63 1.92 -8.08 -1.31 0
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317194 126632825 1 ON7H77C115 AB7C77D115 445.95 5.03 -8.02 -1.02 0
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317195 126632842 1 OSN7H67C112 ABC7D67E112 504.5 1.79 -7.98 -1.26 0
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317198 126632876 1 ClN4H45C64 AB4C45D64 248.53 4.18 -8.09 -1.29 0
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317199 126632897 2 NO4C12H16 AB4C12D16 -323.7 2.4 -9.78 -0.33 0
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317200 126632918 1 N2O2C17H32 A2B2C17D32 -122.34 1.3 -8.75 0.57 0
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317201 126632950 1 SN4H46C67 AB4C46D67 300.7 3.91 -7.88 -0.8 0
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317203 126633049 1 OC10H14 AB10C14 -18.82 2.63 -8.37 -0.09 0
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317204 126633154 1 NH29C48 AB29C48 200.43 2.56 -8.17 -1.07 0
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317205 126633165 1 NH29C46 AB29C46 191.14 1.82 -8.19 -0.9 0
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317206 126633211 1 NH29C48 AB29C48 210.2 2.62 -8.15 -1.09 0
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317207 126633224 1 O5C24H32 A5B24C32 -206.12 3.17 -9.25 -0.84 0
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317208 126633261 1 FN3O5C35H36 AB3C5D35E36 -142.91 6.72 -8.75 -0.92 0
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317209 126633262 1 FN4O5C45H47 AB4C5D45E47 -40.31 6.17 -8.12 -1.67 0
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317210 126633264 1 FN3O6H34C35 AB3C6D34E35 -170.45 2.85 -8.95 -1.12 0
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317211 126633309 1 NO8C17H23 AB8C17D23 -319.63 2.74 -9.8 -1.36 0
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317212 126633314 1 N2O9C31H32 A2B9C31D32 -286.48 5.48 -9.47 -1.76 0
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317213 126633352 1 NOC21H23 ABC21D23 22.83 4.89 -8.76 -0.64 0
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317214 126633380 1 O2C19H20 A2B19C20 2.33 4.27 -9.95 -0.88 0
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317215 126633382 1 N3O7C33H51 A3B7C33D51 -276.47 9.02 -8.2 -0.57 0
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317216 126633400 1 O6C27H32 A6B27C32 -203.04 6.63 -9.13 -1.5 0
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317217 126633659 1 ClFO2S2N3H19C20 ABC2D2E3F19G20 -38.5 4.86 -8.73 -1.12 0
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317218 126633855 2 NO3C12H18 AB3C12D18 -183.03 0.71 -9.15 -0.33 0
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317219 126633862 1 O2C13H20 A2B13C20 -99.18 2.55 -9.3 0.17 0
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317220 126634406 1 O2N5F6H17C18 A2B5C6D17E18 -302.61 6.28 -10.11 -1.87 -1
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317221 126634409 1 ClNO2S2H3C4 ABC2D2E3F4 -10.7 3.18 0.0 0.0 0
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317222 126634428 1 SO2C12H22 AB2C12D22 -129.97 3.57 -9.07 0.27 0
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317223 126634436 1 NO5H19C20 AB5C19D20 -158.17 5.01 -9.24 -0.76 0
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317224 126634471 1 O5F14H24C44 A5B14C24D44 -704.83 7.62 -9.71 -1.56 0
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317225 126634473 1 O2C21H30 A2B21C30 -88.13 2.68 -8.67 -0.45 0
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317226 126634486 1 N4O4C19H22 A4B4C19D22 -100.73 4.89 -8.67 -0.58 0