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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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438032 135227545 1 N2O2C15H20 A2B2C15D20 -79.9 4.52 -8.54 0.0 0
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438033 135227546 1 NH21C22 AB21C22 90.46 1.5 -8.21 -0.44 0
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438034 135227547 1 NC15H21 AB15C21 160.31 1.89 -8.02 0.37 0
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438035 135227548 1 F2C7H10 A2B7C10 -94.11 1.47 -9.71 0.48 0
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438036 135227549 2 OSN2C6H8 ABC2D6E8 -34.68 2.17 -9.21 -0.96 0
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438037 135227550 1 NH21C22 AB21C22 166.01 1.01 -8.05 -0.57 0
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438038 135227551 1 NC24H33 AB24C33 25.45 2.42 -8.39 0.51 0
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438039 135227552 1 NC14H25 AB14C25 -17.86 1.07 -8.74 2.97 0
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438040 135227553 1 NH11C13 AB11C13 166.31 2.62 -8.39 -0.34 0
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438041 135227554 1 NH13C17 AB13C17 183.55 2.44 -8.43 -0.52 0
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438042 135227555 1 NH21C22 AB21C22 98.94 2.1 -8.05 -1.05 0
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438043 135227556 1 NC13H13 AB13C13 98.47 1.52 -8.48 -0.07 0
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438044 135227557 1 NH23C29 AB23C29 135.15 2.16 -8.02 -0.26 0
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438045 135227558 1 NC20H23 AB20C23 54.56 1.52 -7.84 0.32 0
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438046 135227559 1 F4C9H10 A4B9C10 -187.28 2.26 -9.48 -0.46 0
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438047 135227560 1 NOC15H17 ABC15D17 -10.18 1.41 -8.03 0.1 0
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438048 135227561 1 NC20H27 AB20C27 19.22 1.53 -8.04 0.42 0
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438049 135227562 1 NC22H29 AB22C29 16.33 2.12 -7.66 0.26 0
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438050 135227563 1 NH19C21 AB19C21 99.72 1.56 -8.24 -0.52 0
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438051 135227564 1 NC13H19 AB13C19 56.01 1.19 -8.04 -0.08 0
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438052 135227565 1 NC18H29 AB18C29 2.84 1.36 -8.31 0.51 0
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438053 135227566 1 NH19C21 AB19C21 102.54 0.82 -7.68 -0.88 0
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438054 135227567 1 NC15H23 AB15C23 45.53 0.97 -8.22 0.08 0
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438055 135227568 1 F3C6H7 A3B6C7 -127.24 1.81 -10.31 -0.08 0
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438056 135227569 1 NC20H21 AB20C21 78.45 3.13 -7.79 -0.08 0
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438057 135227570 1 NH19C23 AB19C23 102.41 1.31 -8.29 -0.63 0
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438058 135227571 1 NC15H17 AB15C17 123.16 2.67 -8.22 -0.11 0
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438059 135227572 1 FC6H11 AB6C11 -60.41 2.3 -10.03 0.94 0
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438060 135227573 1 NC20H27 AB20C27 21.16 1.27 -8.14 0.54 0
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438061 135227574 1 NC15H17 AB15C17 27.39 2.92 -7.51 0.32 -1
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438062 135227575 1 SN2O5C18H19 AB2C5D18E19 -100.65 8.56 0.0 0.0 0
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438063 135227576 1 SN2O5C18H20 AB2C5D18E20 -119.59 5.99 -8.89 -0.62 -1
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438064 135227577 1 SN2O6H17C18 AB2C6D17E18 -103.68 2.97 0.0 0.0 0
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438065 135227578 1 SN2O6C18H18 AB2C6D18E18 -156.63 3.2 -9.04 -0.92 0
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438066 135227637 1 OS5N6H42C82 AB5C6D42E82 430.45 4.53 -8.13 -1.36 0
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438067 135227638 1 FIN3H15C19 ABC3D15E19 68.39 3.77 -8.36 -1.17 0
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438068 135227639 1 FIN4H14C19 ABC4D14E19 116.48 3.92 -8.55 -1.17 0
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438069 135227640 1 FIN4H12C13 ABC4D12E13 71.66 5.32 -9.01 -1.38 0
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438070 135227641 1 IN5C13H14 AB5C13D14 115.69 3.01 -8.22 -1.27 0
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438071 135227642 1 OF2N4H18C20 AB2C4D18E20 -38.95 2.89 -8.09 -0.7 0
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438072 135227643 1 OS3N6H50C94 AB3C6D50E94 456.69 7.4 -7.79 -1.61 0
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438073 135227644 1 OS5N6H42C82 AB5C6D42E82 431.58 5.92 -8.1 -1.37 0
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438074 135227645 1 NC20H21 AB20C21 48.07 2.16 -7.85 0.29 0
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438075 135227646 1 NI2H11C18 AB2C11D18 111.23 3.4 -8.38 -2.7 0
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438076 135227647 1 SN2H46C67 AB2C46D67 288.77 3.91 -7.9 -0.66 0
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438077 135227648 1 NC19H19 AB19C19 66.33 1.4 -8.23 -0.29 0
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438078 135227649 1 BrNC6H8 ABC6D8 26.51 2.64 -8.36 0.13 0
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438079 135227650 1 NSC11H15 ABC11D15 16.73 1.47 -8.45 -0.27 0
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438080 135227651 1 ClISN3O3C17H25 ABCD3E3F17G25 -39.1 6.62 -7.14 -1.09 0
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438081 135227652 1 ClSO3N5C21H30 ABC3D5E21F30 -25.46 5.59 -7.18 -0.45 0
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438082 135227653 1 IN3C15H24 AB3C15D24 35.86 1.58 -8.1 -0.83 0
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438083 135227654 1 SN2C11H26 AB2C11D26 -55.16 3.02 -8.5 0.66 -1
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438084 135227655 1 SN4O4H5C8 AB4C4D5E8 -37.14 3.73 0.0 0.0 0
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438085 135227656 1 SN4O4H6C8 AB4C4D6E8 -55.95 1.99 -9.38 -1.98 0
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438086 135227657 1 ION4C14H15 ABC4D14E15 80.95 4.22 -8.43 -1.32 0
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438087 135227658 1 ION4C13H13 ABC4D13E13 76.38 4.93 -8.63 -1.27 0
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438088 135227659 1 O2N3C22H23 A2B3C22D23 25.71 3.97 -8.45 -0.33 0
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438089 135227660 1 NSO5C8H9 ABC5D8E9 -180.8 6.08 -10.38 -1.64 0
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438090 135227661 1 FN4H17C19 AB4C17D19 66.83 3.86 -8.34 -0.4 0
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438091 135227662 1 O2N3C21H21 A2B3C21D21 30.75 3.3 -8.24 -0.2 0
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438092 135227663 1 SF3O3N7H16C17 AB3C3D7E16F17 -158.98 5.79 -9.16 -2.0 0
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438093 135227664 1 ClIN4H14C19 ABC4D14E19 153.47 4.05 -8.5 -1.19 0
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438094 135227665 1 ClIN4H12C13 ABC4D12E13 108.33 5.28 -9.01 -1.38 0
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438095 135227666 1 ClIN3H15C19 ABC3D15E19 105.94 4.52 -8.34 -1.21 0
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438096 135227667 1 FN3H20C21 AB3C20D21 51.96 3.84 -8.87 -0.35 0
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438097 135227668 1 FIN4H10C13 ABC4D10E13 97.6 3.0 -8.97 -0.97 0
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438098 135227669 1 ION4H17C20 ABC4D17E20 125.55 5.54 -8.46 -0.95 0
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438099 135227670 1 ION3H18C20 ABC3D18E20 73.22 4.14 -7.89 -0.9 0
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438100 135227671 1 FON3H18C20 ABC3D18E20 25.27 5.28 -8.73 -0.35 0
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438101 135227672 1 ON3F4H15C20 AB3C4D15E20 -139.32 1.45 -9.05 -0.81 0
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438102 135227673 1 FSN3H18C20 ABC3D18E20 62.39 5.0 -8.74 -0.39 0
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438103 135227674 1 FON3H18C20 ABC3D18E20 25.44 2.4 -8.44 -0.29 0
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438104 135227675 1 FON3H16C20 ABC3D16E20 40.6 5.38 -8.91 -0.94 0
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438105 135227676 1 FON4H19C20 ABC4D19E20 40.57 3.78 -8.41 -0.4 0
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438106 135227677 1 F2N3H17C20 A2B3C17D20 14.67 5.03 -8.74 -0.56 0