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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
305106 124766530 1 N2O7C12H16 A2B7C12D16 -201.85 4.69 -8.6 -1.21 0
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305107 124766531 1 N2O7C12H16 A2B7C12D16 -202.81 8.81 -8.84 -1.5 0
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305108 124766533 1 ClSN4O5H27C29 ABC4D5E27F29 6.36 13.62 -8.74 -1.24 0
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305109 124766534 1 ClSN4O5H27C29 ABC4D5E27F29 -3.98 10.19 -8.69 -1.71 0
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305110 124766535 1 ClSN4O5H27C29 ABC4D5E27F29 8.73 6.25 -8.7 -1.58 0
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305111 124766536 1 ClSN4O5H27C29 ABC4D5E27F29 -5.35 3.33 -8.61 -1.55 0
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305112 124766537 1 NO8C14H21 AB8C14D21 -321.27 3.91 -10.04 0.0 0
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305113 124766538 1 NO8C14H21 AB8C14D21 -342.08 3.01 -10.31 0.09 0
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305118 124766544 1 N2O8C33H34 A2B8C33D34 -209.1 3.08 -8.89 -0.24 0
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305119 124766545 2 NO5C12H16 AB5C12D16 -407.44 4.87 -8.65 -0.34 0
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305121 124766551 1 BrN4O10H23C29 AB4C10D23E29 -167.26 3.08 -10.2 -1.74 0
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305122 124766552 1 ClSN3O6H20C25 ABC3D6E20F25 -32.7 7.13 -9.2 -1.7 0
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305123 124766553 1 ClSN3O6H20C25 ABC3D6E20F25 -30.99 4.73 -8.99 -1.51 0
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305124 124766554 1 ClSN3O6H20C25 ABC3D6E20F25 -36.92 3.78 -9.2 -1.66 2
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305125 124766557 2 ON2C14H26 AB2C14D26 3.93 11.56 -3.18 -0.6 2
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305126 124766558 2 ON2C14H26 AB2C14D26 -57.07 14.67 -5.29 -0.56 1
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305127 124766559 1 NO3C20H30 AB3C20D30 -102.79 2.99 0.0 0.0 1
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305129 124766561 1 NO3C20H30 AB3C20D30 -101.53 2.91 0.0 0.0 1
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305131 124766563 1 NO6C19H25 AB6C19D25 -237.97 3.83 -9.57 0.09 0
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305133 124766565 1 N2O4C15H20 A2B4C15D20 -140.95 6.9 -8.94 -0.32 0
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305134 124766566 1 N2O4C15H20 A2B4C15D20 -143.12 5.65 -9.03 -0.47 0
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305135 124766567 1 ClN2O7C29H31 AB2C7D29E31 -180.18 11.98 -8.67 -1.08 0
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305136 124766568 1 NO3H21C22 AB3C21D22 -50.33 4.4 -9.68 -0.17 0
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305137 124766569 1 SN2O3C21H28 AB2C3D21E28 -125.19 4.92 -8.74 -0.69 0
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305138 124766570 1 NO5C13H19 AB5C13D19 -200.09 1.04 -8.1 0.22 0
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305139 124766571 1 NO5C13H19 AB5C13D19 -200.26 2.45 -8.5 0.16 0
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305140 124766572 1 NO5C13H19 AB5C13D19 -199.16 2.46 -8.17 0.16 0
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305141 124766573 2 ON2C12H25 AB2C12D25 -185.88 2.31 -9.11 1.33 0
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305142 124766574 1 NO2C30H37 AB2C30D37 -33.81 2.36 -8.69 0.09 0
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305143 124766575 1 NO7C20H27 AB7C20D27 -290.74 3.42 -8.74 -0.24 0
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305144 124766576 1 O6C19H24 A6B19C24 -241.56 2.22 -8.58 -0.11 0
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305145 124766577 1 O6C19H24 A6B19C24 -232.63 5.82 -8.65 -0.17 0
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305151 124766584 1 ClN2O3H17C22 AB2C3D17E22 -14.67 6.06 -8.88 -0.66 0
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305153 124766587 1 N3O4C15H17 A3B4C15D17 -116.04 4.63 -9.48 -0.44 0
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305154 124766588 1 N3O4C15H17 A3B4C15D17 -117.89 4.13 -9.56 -0.52 0
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305155 124766589 1 ClNO3H28C32 ABC3D28E32 -41.61 5.33 -9.46 -0.38 0
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305157 124766677 1 NOCl5C16H16 ABC5D16E16 -44.9 3.03 -9.89 -0.43 0
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305158 124766687 1 NS2O6C18H25 AB2C6D18E25 -257.0 7.67 -8.7 -0.37 0
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305159 124766758 1 N3O5C24H25 A3B5C24D25 -102.09 8.04 -9.92 -1.86 0
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305160 124766796 1 N2O6C15H28 A2B6C15D28 -295.95 3.87 -9.12 1.44 1
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305162 124766829 2 NO2H15C17 AB2C15D17 -59.44 0.92 -9.05 -0.48 0
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305163 124766849 1 O4N5C17H19 A4B5C17D19 44.15 1.97 -10.17 -0.87 1
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305164 124766868 1 NO3C21H32 AB3C21D32 -111.97 4.68 0.0 0.0 0
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305165 124766870 1 N3O5C18H21 A3B5C18D21 -129.75 2.99 -8.86 -1.18 0
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305167 124766967 1 N2S3O5H16C19 A2B3C5D16E19 -154.48 2.52 -8.98 -1.22 0
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305168 124766999 1 NO7C27H33 AB7C27D33 -286.76 4.3 -8.17 -0.58 0
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305170 124767158 1 FSCl2N2O3H23C31 ABC2D2E3F23G31 -7.98 7.6 -8.46 -1.53 0
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305173 124767320 1 ClNF2O5C12H14 ABC2D5E12F14 -307.31 4.55 -8.74 -0.97 0
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305174 124767364 1 N2O4C23H34 A2B4C23D34 -178.95 5.16 -8.48 -0.32 0
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305175 124767371 1 ClSN2O5H23C24 ABC2D5E23F24 -115.5 2.88 -9.22 -0.53 0