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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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241126 96021381 1 N3C14H15 A3B14C15 59.86 1.49 -9.23 -0.68 0
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241127 96021394 1 NOC14H19 ABC14D19 -46.02 2.87 -8.94 0.5 0
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241128 96021404 1 NC20H27 AB20C27 -15.58 1.34 -8.66 0.48 0
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241129 96021406 1 NC20H27 AB20C27 -19.31 1.84 -8.88 0.45 0
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241130 96021407 1 ClNC18H18 ABC18D18 38.18 3.55 -9.19 -0.24 0
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241131 96021421 1 BrNC13H18 ABC13D18 -7.52 3.75 -9.09 -0.01 0
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241132 96021422 1 BrNC13H18 ABC13D18 -16.77 4.24 -8.07 0.22 0
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241133 96021432 1 BrNC12H16 ABC12D16 -3.78 3.19 -8.94 0.04 0
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241134 96021451 1 SN5C13H17 AB5C13D17 82.93 10.21 -8.51 -0.14 0
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241135 96021459 1 NSC19H23 ABC19D23 31.3 2.0 -8.71 0.24 0
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241136 96021466 1 SN3C15H19 AB3C15D19 51.62 4.9 -9.4 -0.65 0
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241137 96021468 1 SN3C15H19 AB3C15D19 53.0 5.99 -9.16 -0.55 0
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241138 96021470 1 NC17H25 AB17C25 -19.08 0.66 -9.02 0.47 0
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241139 96021483 1 NSC12H17 ABC12D17 2.82 3.0 -8.87 0.27 0
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241140 96021490 1 NC14H19 AB14C19 7.79 0.55 -8.96 0.53 0
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241141 96021494 2 NC6H9 AB6C9 8.48 1.84 -8.78 0.38 0
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241142 96021495 2 NC6H9 AB6C9 8.7 1.56 -8.82 0.33 0
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241143 96021501 1 ClNOC17H18 ABCD17E18 -16.34 4.68 -8.79 -0.05 0
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241144 96021511 1 NC14H21 AB14C21 -9.12 1.49 -8.65 0.51 0
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241145 96021514 1 NSC12H17 ABC12D17 1.58 3.74 -8.76 0.34 0
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241146 96021516 1 BrNC13H18 ABC13D18 -9.44 2.92 -8.33 0.17 0
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241147 96021521 1 BrNC13H18 ABC13D18 -8.5 3.54 -7.87 0.22 0
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241148 96021523 1 BrNC13H18 ABC13D18 -3.45 3.08 -9.0 -0.07 0
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241149 96021527 1 NF2H15C16 AB2C15D16 -56.84 4.76 -9.23 -0.12 0
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241150 96021530 1 ON2C16H22 AB2C16D22 -46.1 3.31 -8.98 0.18 0
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241151 96021544 1 FNC18H18 ABC18D18 0.07 3.39 -9.21 -0.21 0
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241152 96021550 1 NF3H14C16 AB3C14D16 -102.43 1.44 -9.1 -0.66 0
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241153 96021556 1 NF2H17C18 AB2C17D18 -45.56 1.92 -9.27 -0.5 0
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241154 96021558 1 NF2H17C18 AB2C17D18 -47.17 2.44 -9.09 -0.6 0
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241155 96021561 1 NC20H25 AB20C25 3.74 1.53 -8.58 0.42 0
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241156 96021563 1 NC20H25 AB20C25 0.63 2.42 -8.56 0.38 0
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241157 96021566 1 NO2C18H19 AB2C18D19 -36.92 1.92 -8.61 0.06 0
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241158 96021575 1 ON2C14H20 AB2C14D20 -50.57 4.86 -9.0 0.38 0
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241159 96021576 1 ClNC17H18 ABC17D18 19.76 1.35 -8.95 0.16 0
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241160 96021597 1 NF3H16C17 AB3C16D17 -110.94 1.58 -9.0 -0.56 0
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241161 96021610 1 NC21H27 AB21C27 3.85 2.08 -8.88 0.48 0
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241162 96021617 1 NOF2C17H17 ABC2D17E17 -112.34 3.0 -9.18 -0.2 0
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241163 96021619 1 NOF2C17H17 ABC2D17E17 -113.24 5.38 -9.18 -0.01 0
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241164 96021622 1 FNO2H16C17 ABC2D16E17 -96.03 3.94 -9.28 -0.97 0
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241165 96021625 1 N2O3C16H16 A2B3C16D16 -13.84 3.21 -9.4 -1.47 0
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241166 96021640 1 FNC18H20 ABC18D20 -26.76 3.5 -9.03 0.22 0
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241167 96021652 1 FNC18H20 ABC18D20 -22.38 2.22 -9.07 0.1 0
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241168 96021656 1 NOC18H21 ABC18D21 -13.83 2.63 -8.38 0.29 0
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241169 96021658 1 NOC18H21 ABC18D21 -14.59 2.57 -8.48 0.3 0
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241170 96021660 1 ClNC17H18 ABC17D18 19.6 0.72 -8.93 0.09 0
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241171 96021665 1 ClFNC17H17 ABCD17E17 -26.46 2.88 -9.0 -0.35 0
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241172 96021691 1 FN2H15C17 AB2C15D17 17.77 6.27 -9.38 -0.77 0
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241173 96021694 1 FN2O2H15C16 AB2C2D15E16 -17.94 5.32 -9.38 -1.58 0
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241174 96021723 1 ClNC18H20 ABC18D20 13.88 3.41 -9.06 0.11 0
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241175 96021771 1 OF2N2C16H22 AB2C2D16E22 -144.96 5.27 -9.3 -0.29 0