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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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334046 127252598 1 N2O8H20C21 A2B8C20D21 -244.09 4.85 -8.75 -0.59 0
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334047 127252599 1 ClN5O8H26C27 AB5C8D26E27 -173.37 5.45 -8.66 -2.2 0
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334048 127252600 1 N3O4H23C29 A3B4C23D29 -72.56 5.15 -8.83 -1.46 0
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334049 127252601 1 ClN2O4C28H31 AB2C4D28E31 -122.75 4.8 -8.11 -1.2 0
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334050 127252602 2 NO2C14H15 AB2C14D15 -92.0 7.13 -8.08 -1.43 0
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334051 127252603 1 ClN3O7H24C26 AB3C7D24E26 -75.52 7.12 -8.88 -0.87 0
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334052 127252604 1 O3N5H15C20 A3B5C15D20 -11.23 3.83 -8.81 -1.14 0
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334053 127252605 1 O4N5H29C30 A4B5C29D30 40.09 5.82 -8.68 -1.2 0
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334054 127252606 1 N2O6H18C25 A2B6C18D25 -109.36 6.68 -8.3 -1.28 0
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334055 127252607 1 N5O7C25H27 A5B7C25D27 -177.28 10.03 -8.94 -1.54 0
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334056 127252608 1 Cl2N3O3C14H19 A2B3C3D14E19 -130.91 14.01 -8.46 -0.74 1
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334057 127252609 1 N3O3C14H18 A3B3C14D18 -52.69 9.08 0.0 0.0 0
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334058 127252610 1 O2N5C24H27 A2B5C24D27 -15.25 4.08 -8.12 -0.55 0
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334059 127252611 1 ClN3O6H22C23 AB3C6D22E23 -137.08 4.32 -8.9 -0.56 0
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334060 127252612 1 O2N5C26H33 A2B5C26D33 41.69 2.45 -8.23 -1.14 0
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334061 127252613 2 N2O3C13H14 A2B3C13D14 -187.79 5.38 -8.86 -0.97 0
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334062 127252614 1 N2O6H18C25 A2B6C18D25 -103.01 2.9 -8.57 -1.81 0
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334063 127252615 1 ClSN2O7C22H27 ABC2D7E22F27 -260.38 9.52 -9.06 -0.42 0
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334064 127252616 1 N4O5H24C25 A4B5C24D25 -122.42 4.93 -8.83 -1.02 0
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334065 127252617 1 Cl2N3O5H15C18 A2B3C5D15E18 -144.25 6.58 -8.98 -1.41 0
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334066 127252618 1 O2N3H15C21 A2B3C15D21 31.74 1.33 -9.04 -1.78 0
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334067 127252619 1 SN6O7C30H38 AB6C7D30E38 -166.85 8.15 -8.59 -0.79 0
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334068 127252620 2 N2O3H11C13 A2B3C11D13 -138.04 1.44 -8.93 -1.13 0
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334069 127252621 1 SN3O7H29C31 AB3C7D29E31 -178.73 9.35 -8.12 -1.73 0
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334070 127252622 1 SO3N5H23C25 AB3C5D23E25 -17.74 5.75 -8.69 -1.21 0
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334071 127252623 1 ClN2O6H23C26 AB2C6D23E26 -165.1 7.0 -8.51 -0.88 0
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334072 127252624 1 N3O6C26H31 A3B6C26D31 -189.54 5.59 -8.7 -0.23 0
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334073 127252625 1 O4N6H22C23 A4B6C22D23 -51.16 1.18 -9.22 -1.11 0
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334074 127252626 1 ON3C23H35 AB3C23D35 -25.87 4.8 -8.35 0.35 0
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334075 127252627 1 O9H18C26 A9B18C26 -271.29 3.31 -8.8 -1.41 0
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334076 127252628 1 ClSN3O5C27H28 ABC3D5E27F28 -121.11 4.94 -8.75 -0.48 0
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334077 127252629 1 N5O7C37H43 A5B7C37D43 -196.99 5.29 -8.66 -0.88 0
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334078 127252630 1 ClN3O10C32H32 AB3C10D32E32 -324.45 5.32 -8.01 -0.94 0
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334079 127252631 1 N3O4C28H35 A3B4C28D35 -111.66 6.53 -8.22 -0.71 0
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334080 127252632 1 O3N6H22C23 A3B6C22D23 -7.73 6.9 -9.05 -0.91 0
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334081 127252633 1 N5O6H21C23 A5B6C21D23 -111.37 2.67 -8.96 -1.06 0
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334082 127252634 3 N2O2C11H14 A2B2C11D14 -140.54 7.6 -8.19 -0.49 0
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334083 127252635 1 O8H16C27 A8B16C27 -199.48 6.56 -8.72 -1.33 0
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334084 127252636 2 NO2H13C14 AB2C13D14 -56.04 2.38 -8.35 -1.45 0
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334085 127252637 1 O9H24C29 A9B24C29 -241.09 5.47 -8.74 -1.38 0
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334086 127252638 1 N2O7C26H30 A2B7C26D30 -217.68 3.4 -8.93 -0.45 0
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334087 127252639 1 N5O7C22H27 A5B7C22D27 -189.81 5.7 -8.78 -0.26 0
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334088 127252640 1 SN4O8C39H44 AB4C8D39E44 -222.63 1.0 -8.69 -1.41 0
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334089 127252641 1 N3O5H21C26 A3B5C21D26 -82.61 5.68 -8.33 -1.47 0
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334090 127252642 1 O4N5H21C23 A4B5C21D23 -21.65 3.92 -8.32 -1.33 0
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334091 127252643 1 N2O8H26C29 A2B8C26D29 -231.33 7.1 -8.75 -1.21 0
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334092 127252644 1 NO3H13C22 AB3C13D22 -18.29 4.66 -8.78 -1.49 0
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334093 127252645 1 N4O6C33H42 A4B6C33D42 -167.43 5.73 -8.58 -0.54 0
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334094 127252646 1 ClN3O5C22H24 AB3C5D22E24 -125.05 4.94 -8.85 -0.4 0
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334095 127252647 1 N3O6H23C29 A3B6C23D29 -68.33 3.44 -8.46 -1.56 0
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334096 127252648 2 NO3C13H17 AB3C13D17 -224.26 6.94 -8.69 -0.38 0
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334097 127252649 1 ClSN2O8H21C23 ABC2D8E21F23 -255.69 7.45 -9.25 -1.51 0
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334098 127252650 1 N3O3C17H19 A3B3C17D19 -85.75 6.28 -8.77 -0.5 0
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334099 127252651 1 N2O5C18H20 A2B5C18D20 -137.97 6.99 -8.43 -0.52 0
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334100 127252652 1 SN2O6H18C20 AB2C6D18E20 -154.41 4.15 -8.48 -1.6 0
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334101 127252653 1 N3O3C24H25 A3B3C24D25 -63.54 5.73 -8.2 -0.62 0
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334102 127252654 2 O4H11C13 A4B11C13 -210.15 7.26 -8.87 -1.38 0
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334103 127252655 1 N2O5H24C26 A2B5C24D26 -82.76 4.24 -8.27 -1.26 0
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334104 127252656 1 NO4H15C21 AB4C15D21 -27.71 5.3 -8.39 -1.56 0
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334105 127252657 1 N4O4H22C27 A4B4C22D27 -7.41 3.34 -8.59 -1.58 0
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334106 127252658 1 N4O6C21H22 A4B6C21D22 -62.56 7.68 -9.66 -1.62 0
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334107 127252659 2 NO3C10H13 AB3C10D13 -210.25 3.04 -8.53 -0.52 0
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334108 127252660 1 O6N7C41H53 A6B7C41D53 -144.08 6.41 -8.36 -0.5 0
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334109 127252661 1 N5O6C33H37 A5B6C33D37 -47.38 8.23 -8.4 -0.54 0
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334110 127252662 1 N4O4C33H36 A4B4C33D36 -86.75 4.31 -8.75 -1.44 0
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334111 127252663 1 Cl2N3O5H15C18 A2B3C5D15E18 -143.51 5.45 -9.12 -1.42 0
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334112 127252664 1 N3O3C23H25 A3B3C23D25 -51.28 6.4 -8.03 -0.23 0
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334113 127252665 1 N3O7C26H27 A3B7C26D27 -216.06 3.75 -8.69 -0.79 0
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334114 127252666 1 N3O7C24H27 A3B7C24D27 -229.09 3.57 -8.26 -0.42 0
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334115 127252667 3 NOC7H7 ABC7D7 -64.88 7.06 -8.4 -0.38 0
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334116 127252668 1 ClNO6C20H22 ABC6D20E22 -204.34 5.67 -8.82 -0.48 0
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334117 127252669 1 N5O6C37H45 A5B6C37D45 -162.73 5.37 -8.25 -0.52 0
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334118 127252670 1 NO6C31H31 AB6C31D31 -160.3 3.24 -8.71 -0.26 0
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334119 127252671 1 O2N3C21H25 A2B3C21D25 -58.4 5.63 -8.61 -0.26 0
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334120 127252672 1 SN3O4H15C16 AB3C4D15E16 22.1 9.02 -9.7 -1.52 0
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334121 127252673 1 ClNO9H22C27 ABC9D22E27 -264.95 6.85 -9.0 -1.66 0
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334122 127252674 1 ClNSO7C21H24 ABCD7E21F24 -261.15 7.8 -8.96 -0.6 0
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334123 127252675 1 O7H16C22 A7B16C22 -210.88 2.98 -8.22 -0.62 0
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334124 127252676 1 SN5O6C38H47 AB5C6D38E47 -161.83 8.63 -8.45 -0.52 0
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334125 127252677 1 N2O7C23H24 A2B7C23D24 -213.68 9.39 -8.84 -0.5 0
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334126 127252678 1 N5O6C41H49 A5B6C41D49 -36.52 8.93 -8.25 -0.6 0
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334127 127252679 1 N4O5H18C26 A4B5C18D26 0.4 1.04 -8.36 -1.65 0
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334128 127252680 1 N4O6H22C25 A4B6C22D25 -135.23 1.92 -8.83 -0.99 0
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334129 127252681 1 N3O4C27H31 A3B4C27D31 -108.27 4.03 -8.08 -0.34 0
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334130 127252682 1 ClN4O8H29C33 AB4C8D29E33 -244.91 6.12 -8.76 -0.82 0
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334131 127252683 2 ClNO4H12C13 ABC4D12E13 -276.36 5.95 -8.96 -0.92 0
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334132 127252684 2 N2O3C16H18 A2B3C16D18 -106.71 6.66 -8.53 -1.26 0
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334133 127252685 1 O10H34C37 A10B34C37 -268.0 8.68 -8.14 -1.16 0
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334134 127252686 1 N3O3H21C22 A3B3C21D22 -75.54 2.51 -8.25 -0.87 0
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334135 127252687 1 ClN3O6C26H28 AB3C6D26E28 -182.53 8.1 -8.85 -0.71 0
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334136 127252688 1 N5O6C29H35 A5B6C29D35 -144.81 6.59 -8.6 -0.65 0
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334137 127252689 1 N2O7H24C28 A2B7C24D28 -221.86 9.76 -9.22 -1.36 0
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334138 127252690 1 N4O7C36H42 A4B7C36D42 -192.48 7.39 -7.86 -0.66 0
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334139 127252691 1 N3O8C33H37 A3B8C33D37 -229.64 5.55 -8.44 -0.63 0
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334140 127252692 1 N4O4H28C29 A4B4C28D29 -27.72 9.67 -8.98 -1.33 0
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334141 127252693 1 SN3O7C25H31 AB3C7D25E31 -206.3 3.69 -8.66 -0.7 0
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334142 127252694 1 ClNO6C24H24 ABC6D24E24 -191.93 4.81 -8.95 -0.39 0
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334143 127252695 1 N2O7C31H32 A2B7C31D32 -162.74 2.27 -8.29 -1.36 0
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334144 127252696 2 N2O3C19H21 A2B3C19D21 -138.01 10.53 -8.1 -0.37 0
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334146 127252698 1 NO6C36H45 AB6C36D45 -236.44 4.49 -8.74 -0.36 0