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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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191731 78182560 1 ON3H13C15 AB3C13D15 48.84 1.81 -8.93 -1.14 0
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191732 78182561 1 ON3C21H23 AB3C21D23 23.86 3.23 -9.06 -0.05 0
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191733 78182562 1 O2N3C28H33 A2B3C28D33 -33.27 2.96 -9.22 -0.37 0
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191734 78182813 3 NOC5H7 ABC5D7 -75.47 2.27 -8.92 0.24 0
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191735 78182877 1 ClNO2H10C14 ABC2D10E14 -6.96 4.97 -9.52 -1.77 0
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191736 78183058 1 PN10O12C38H59 AB10C12D38E59 -526.99 9.96 -8.43 -0.51 1
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191737 78183140 1 N5F6O6C14H18 A5B6C6D14E18 -509.63 6.61 0.0 0.0 1
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191738 78183141 1 Cl2S2O6N8C22H23 A2B2C6D8E22F23 -83.7 18.52 0.0 0.0 0
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191739 78183142 1 SN3O4C7H7 AB3C4D7E7 -99.89 3.3 -9.72 -1.75 1
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191740 78183143 1 N5O5C10H14 A5B5C10D14 -131.69 1.45 0.0 0.0 1
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191741 78183144 1 N5O5C10H14 A5B5C10D14 -137.37 7.09 0.0 0.0 1
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191742 78183145 1 N5O6C22H38 A5B6C22D38 -251.55 7.25 0.0 0.0 1
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191743 78183146 1 IN5O5C22H37 AB5C5D22E37 -190.77 7.18 0.0 0.0 1
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191744 78183171 1 P2N5O14C15H24 A2B5C14D15E24 -676.71 2.66 0.0 0.0 0
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191745 78183172 1 NH5O5C10 AB5C5D10 -124.56 2.41 -10.03 -2.6 0
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191746 78183173 1 NO5H7C10 AB5C7D10 -87.01 8.79 -10.39 -2.5 0
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191747 78183375 1 NSO3C12H21 ABC3D12E21 -148.0 0.97 -9.53 -0.35 0
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191748 78183462 1 O7N11C39H65 A7B11C39D65 -346.66 4.6 -8.94 0.3 0
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191749 78183732 1 P2N12O19C29H38 A2B12C19D29E38 -802.45 8.23 -9.37 -1.32 0
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191750 78184104 1 NO15C41H69 AB15C41D69 -707.35 6.67 -8.87 0.16 1
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191751 78184105 1 P2N8O15C27H49 A2B8C15D27E49 -711.54 15.49 0.0 0.0 0
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191752 78184106 1 P2N8O15C27H48 A2B8C15D27E48 -777.36 13.31 -9.46 -0.27 0
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191753 78184107 1 SN3O5C13H13 AB3C5D13E13 -131.98 5.92 -9.18 -1.76 0
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191754 78184108 1 SN4O9C27H34 AB4C9D27E34 -358.03 13.76 -9.18 -0.87 0
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191755 78184133 1 ON2S2C4H8 AB2C2D4E8 -10.16 5.05 -9.12 -1.5 0
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191756 78184865 1 ClSN5O6C33H54 ABC5D6E33F54 -278.43 7.84 -8.07 -0.45 0
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191757 78184907 1 N5O8C37H53 A5B8C37D53 -371.14 4.53 -9.12 -0.24 0
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191758 78185219 1 N3O4C22H39 A3B4C22D39 -222.65 5.22 -8.97 0.22 0
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191759 78185387 1 O2N4H12C15 A2B4C12D15 76.79 6.14 -9.53 -2.15 0
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191760 78185388 1 ON4C15H28 AB4C15D28 -40.95 5.5 -8.48 0.73 0
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191761 78185476 1 O2N5C10H13 A2B5C10D13 -19.5 2.7 -8.85 -0.94 0
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191762 78185555 1 N6O9C37H54 A6B9C37D54 -406.13 7.98 -9.43 -0.5 0
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191763 78185556 1 N5O8C35H51 A5B8C35D51 -361.36 3.49 -9.27 -0.21 0
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191764 78185883 6 OC3H4 AB3C4 -184.1 1.66 -9.98 -0.82 0
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191765 78186252 1 SN2O3C23H32 AB2C3D23E32 -124.3 4.47 -8.88 -0.52 0
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191766 78186361 1 S2O4N5C15H17 A2B4C5D15E17 -79.78 7.83 -9.07 -1.04 0
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191767 78186401 2 O7C16H20 A7B16C20 -554.25 6.18 -8.32 -0.51 0
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191768 78186689 1 N5O8C44H59 A5B8C44D59 -358.56 4.32 -8.5 -0.17 0
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191769 78187168 1 NSO3C19H27 ABC3D19E27 -153.15 6.8 -8.82 -0.23 0
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191770 78187281 1 N4O7H32C37 A4B7C32D37 -149.73 7.92 -9.46 -1.58 0
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191771 78187282 1 O3N4H36C37 A3B4C36D37 -5.43 2.46 -8.52 -0.02 0
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191772 78187283 1 O3N6H34C35 A3B6C34D35 14.34 5.55 -9.14 -0.51 0
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191773 78187366 1 SN4O6C35H52 AB4C6D35E52 -243.45 5.98 -9.15 0.21 0
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191774 78187367 1 SN4O6C37H48 AB4C6D37E48 -202.52 3.46 -9.28 -0.17 0
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191775 78187572 2 NOC13H16 ABC13D16 -22.66 3.21 -9.23 0.0 0
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191776 78187573 1 ON5C22H31 AB5C22D31 9.46 6.4 -8.41 -0.16 0
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191777 78187574 1 O2N5C23H33 A2B5C23D33 -31.6 7.55 -8.28 -0.32 0
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191778 78187575 1 FON5C22H30 ABC5D22E30 -47.6 4.62 -8.76 -0.49 1
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191779 78187824 1 SSiN3O9C26H34 ABC3D9E26F34 -363.38 8.52 0.0 0.0 1
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191780 78187825 1 SSiN4O9C22H35 ABC4D9E22F35 -397.85 5.91 0.0 0.0 0