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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401647 135051978 1 PN3C27H28 AB3C27D28 103.68 4.47 -7.78 0.11 0
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401649 135051980 2 N2O4C13H15 A2B4C13D15 -255.68 2.31 -8.21 -0.62 0
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401650 135051981 1 N4O4C11H12 A4B4C11D12 12.31 4.53 -9.48 -1.79 0
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401651 135051984 1 O2N5C17H25 A2B5C17D25 -1.96 3.33 -8.73 -0.2 0
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401652 135051985 1 SO3N4C17H22 AB3C4D17E22 -66.27 6.45 -9.58 -0.88 0
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401653 135051986 1 SO3N4H20C23 AB3C4D20E23 14.19 6.25 -9.39 -0.82 0
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401654 135051987 1 SO3N4H18C22 AB3C4D18E22 27.93 8.56 -9.65 -1.04 0
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401655 135051988 1 FSN3H4C6 ABC3D4E6 28.2 5.79 -8.81 -1.39 0
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401656 135051991 1 ON5C16H23 AB5C16D23 43.43 3.97 -8.85 0.09 0
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401657 135051993 1 ClON3C14H14 ABC3D14E14 37.11 4.35 -8.33 -0.61 0
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401658 135051995 1 ClON6H17C18 ABC6D17E18 143.85 6.41 -8.78 -1.22 0
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401659 135051996 1 ClO2N4H21C23 AB2C4D21E23 57.61 6.45 -8.16 -1.22 0
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401660 135051999 2 N2O3C10H10 A2B3C10D10 -86.69 5.19 -8.91 -1.05 0
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401661 135052005 1 SO4N6H12C14 AB4C6D12E14 70.31 2.9 -9.84 -1.63 0
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401662 135052011 1 SO3C20H22 AB3C20D22 -57.73 4.1 -9.3 -0.28 0
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401663 135052012 2 N2O2H6C7 A2B2C6D7 70.53 1.57 -8.63 -1.76 0
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401664 135052013 1 NaSN2O2H17C20 ABC2D2E17F20 13.92 2.78 -7.63 -0.2 0
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401665 135052014 1 SN2O2H18C20 AB2C2D18E20 72.49 5.18 -8.79 -0.64 0
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401666 135052031 1 SSiN3C13H19 ABC3D13E19 40.28 4.24 -8.86 -0.16 0
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401667 135052050 1 N5C17H25 A5B17C25 71.06 5.51 -8.43 0.13 0
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401668 135052071 1 ClON3H12C16 ABC3D12E16 62.94 2.62 -9.56 -0.88 0
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401669 135052074 1 O2N3H17C23 A2B3C17D23 99.72 3.44 -9.48 -1.12 0
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401670 135052077 1 ClO4N5H16C21 AB4C5D16E21 73.36 7.98 -8.74 -1.91 0
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401671 135052080 1 ClN4H15C21 AB4C15D21 152.31 1.41 -9.02 -1.21 0
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401672 135052090 1 BrSO2N4H17C20 ABC2D4E17F20 68.01 6.1 -9.09 -1.25 0
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401673 135052091 1 SO2N7H17C20 AB2C7D17E20 147.35 5.11 -9.13 -1.28 0
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401674 135052096 1 O2S2N4C15H16 A2B2C4D15E16 -12.68 6.87 -9.11 -0.89 0
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401676 135052100 1 F3O3N4C17H19 A3B3C4D17E19 -190.99 7.68 -9.42 -1.4 0
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401677 135052110 1 ON5C9H9 AB5C9D9 104.29 5.81 -9.74 -1.18 0
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401678 135052111 1 O3H6N6C8 A3B6C6D8 112.32 6.67 -10.85 -2.02 0
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401679 135052117 1 N7C14H15 A7B14C15 101.57 4.84 -7.89 -0.16 0
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401680 135052120 1 OSN4H14C15 ABC4D14E15 48.94 2.42 -8.76 -0.96 0
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401681 135052124 1 F3O3N5C14H14 A3B3C5D14E14 -95.28 9.46 -9.65 -1.98 0
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401682 135052133 2 SN2O2H13C14 AB2C2D13E14 -9.73 9.62 -8.8 -0.6 0
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401683 135052134 1 ClOPC25H26 ABCD25E26 5.88 6.17 -9.14 -0.21 0
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401684 135052135 1 NPO3H20C26 ABC3D20E26 47.36 13.26 -8.9 -0.88 0
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401685 135052137 1 BrOPH18C21 ABCD18E21 24.44 7.57 -8.51 -0.54 1
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401686 135052138 1 BrOPH19C21 ABCD19E21 27.03 11.37 0.0 0.0 0
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401687 135052139 1 N3O7C16H17 A3B7C16D17 -204.86 6.79 -10.04 -0.61 0
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401688 135052140 1 SO3N4C22H24 AB3C4D22E24 -27.96 5.92 -9.45 -0.85 0
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401689 135052141 1 SO3N4C20H22 AB3C4D20E22 -35.41 6.79 -9.22 -0.94 0
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401690 135052142 1 SO3H18C21 AB3C18D21 -34.09 3.94 -8.57 -0.67 0
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401691 135052146 1 SO3C14H18 AB3C14D18 -73.9 4.48 -9.47 0.0 0
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401692 135052147 1 BrO6C11H15 AB6C11D15 -272.76 5.23 -10.3 -0.99 0
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401693 135052148 1 N3O4C19H19 A3B4C19D19 -45.46 5.06 -9.05 -0.71 0
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401694 135052150 1 O3N4H20C22 A3B4C20D22 45.39 6.6 -8.21 -0.94 0
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401695 135052151 1 ClO3N4H19C22 AB3C4D19E22 31.8 5.1 -8.35 -1.27 0
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401696 135052161 1 SO3N4C18H18 AB3C4D18E18 -21.14 4.75 -9.59 -0.82 0
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401697 135052162 1 ClSO3N4C22H23 ABC3D4E22F23 -34.31 8.5 -9.44 -0.74 0
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401698 135052165 1 NOSC8H15 ABCD8E15 -49.17 4.38 -8.7 -0.02 0
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401699 135052166 1 SO3N4C14H18 AB3C4D14E18 -58.81 7.39 -9.46 -0.98 0
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401700 135052167 1 ClSO3N4H17C18 ABC3D4E17F18 -28.48 8.57 -9.45 -1.09 0
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401701 135052168 1 S2O4N5H13C14 A2B4C5D13E14 -4.03 3.37 -8.98 -1.87 0
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401702 135052169 1 SO3C20H22 AB3C20D22 -57.86 1.84 -9.36 0.07 0
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401703 135052175 1 O2N3C15H19 A2B3C15D19 8.01 5.11 -9.18 -0.78 0
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401704 135052177 1 BrN2C15H17 AB2C15D17 25.86 6.86 -7.67 -1.2 1
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401705 135052178 1 N2C15H17 A2B15C17 37.35 3.05 0.0 0.0 0
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401706 135052180 1 BN2S2F4C13H15 AB2C2D4E13F15 -292.15 11.65 -9.51 -1.55 0
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401707 135052181 1 LiON2H7C8 ABC2D7E8 -0.6 7.52 -8.12 0.7 0
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401708 135052189 1 SN2O3C15H20 AB2C3D15E20 -100.39 4.54 -8.96 -0.28 0
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401709 135052191 1 NPCl2O2C10H12 ABC2D2E10F12 -119.29 5.67 -8.9 -1.34 0
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401710 135052196 1 N2O2H16C17 A2B2C16D17 -19.8 3.16 -8.64 -0.08 0
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401711 135052204 1 CrFeP2Si3O7C30H48 ABC2D3E7F30G48 -649.49 9.3 -6.47 -0.83 0
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401712 135052211 1 SN2O4H12C17 AB2C4D12E17 -34.48 4.88 -9.33 -1.78 0
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401713 135052212 1 NSbCl9H9C14 ABC9D9E14 -46.11 20.67 -10.76 -2.94 1
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401714 135052218 1 N2O2S2C12H17 A2B2C2D12E17 -36.67 5.25 0.0 0.0 0
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401715 135052223 1 FNLi2O2H4C7 ABC2D2E4F7 -69.42 0.31 -7.56 0.55 0
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401716 135052235 1 NCl2H17C21 AB2C17D21 60.09 3.15 -8.67 -0.41 0
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401717 135052244 1 BrNOC16H18 ABCD16E18 -0.68 7.38 -7.55 -0.9 1
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401718 135052266 1 N4C12H29 A4B12C29 3.74 2.93 0.0 0.0 0
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401719 135052267 1 ClN2H15C16 AB2C15D16 130.58 18.08 -7.14 -2.89 0
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401720 135052272 1 BrON2C19H23 ABC2D19E23 -15.52 3.59 -8.44 -0.12 0
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401721 135052274 1 SN2O4C13H14 AB2C4D13E14 -23.66 10.55 -8.07 -1.21 1
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401722 135052275 1 ON2H11C12 AB2C11D12 71.52 1.79 0.0 0.0 1
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401723 135052278 1 N2S2C9H13 A2B2C9D13 56.53 5.91 0.0 0.0 1