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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293500 117391902 1 N3C16H21 A3B16C21 37.86 3.16 -8.68 0.15 0
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293501 117391911 1 NSO2C13H21 ABC2D13E21 -75.54 1.61 -8.36 -0.17 0
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293502 117391914 1 NSO2C13H21 ABC2D13E21 -73.4 2.28 -8.14 0.02 0
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293503 117391915 1 NSO2C13H21 ABC2D13E21 -77.34 2.99 -7.95 0.02 0
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293504 117391936 1 NSO2C13H21 ABC2D13E21 -82.46 1.29 -8.57 -0.05 0
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293505 117391939 1 NOS2C12H17 ABC2D12E17 -22.37 3.23 -8.9 -0.75 0
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293506 117392004 1 ClFO2N3H7C10 ABC2D3E7F10 -48.22 2.81 -8.77 -1.05 0
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293507 117392006 1 ClFNO3H7C11 ABCD3E7F11 -93.84 3.76 -9.41 -1.02 0
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293508 117392067 1 ClFNO2H11C12 ABCD2E11F12 -75.99 4.84 -9.65 -0.64 0
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293509 117392133 1 ClFON3C11H11 ABCD3E11F11 -23.66 7.47 -9.02 -0.29 0
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293510 117392174 1 ClNO3C12H14 ABC3D12E14 -99.2 1.69 -8.6 -0.31 0
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293511 117392176 1 ClNO3C12H14 ABC3D12E14 -81.78 2.25 -8.75 -0.56 0
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293512 117392187 1 ClNO3C12H14 ABC3D12E14 -100.1 3.42 -9.02 -0.56 0
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293513 117392197 1 ClNO3C12H14 ABC3D12E14 -96.76 3.96 -8.88 -0.67 0
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293514 117392198 1 ClNO3C12H14 ABC3D12E14 -90.85 3.31 -9.0 -0.55 0
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293515 117392201 1 ClNO3C12H14 ABC3D12E14 -97.14 4.46 -9.14 -0.6 0
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293516 117392204 1 ClNO3C12H14 ABC3D12E14 -98.71 1.79 -9.28 -0.68 0
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293517 117392206 1 ClNO3C12H14 ABC3D12E14 -103.36 2.08 -9.11 -0.62 0
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293518 117392275 1 ClNO3C12H14 ABC3D12E14 -56.91 3.99 -8.77 -0.15 0
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293519 117392277 1 ClNO3C12H14 ABC3D12E14 -120.24 7.97 -9.22 -0.59 0
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293520 117392353 1 ClNO3C12H14 ABC3D12E14 -84.53 1.51 -8.67 -0.4 0
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293521 117392380 1 ClNO2C13H18 ABC2D13E18 -86.8 4.54 -8.73 -0.35 0
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293522 117392383 1 ClNO2C13H18 ABC2D13E18 -86.25 3.58 -8.73 -0.24 0
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293523 117392386 1 ClNO2C13H18 ABC2D13E18 -88.41 0.6 -8.67 -0.21 0
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293524 117392388 1 ClNO2C13H18 ABC2D13E18 -81.93 3.58 -8.7 -0.21 0
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293525 117392389 1 ClNO2C13H18 ABC2D13E18 -81.92 2.78 -8.67 -0.18 0
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293526 117392390 1 ClNO2C13H18 ABC2D13E18 -80.87 1.8 -8.64 -0.25 0
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293527 117392400 1 ClNO2C13H18 ABC2D13E18 -60.03 2.72 -8.78 -0.28 0
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293528 117392414 1 ClNO2C13H18 ABC2D13E18 -71.46 5.54 -8.55 -0.07 0
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293529 117392415 1 ClNO2C13H18 ABC2D13E18 -65.23 3.85 -8.72 -0.19 0
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293530 117392416 1 ClNO2C13H18 ABC2D13E18 -64.79 2.64 -8.82 -0.25 0
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293531 117392432 1 ClNO2C13H18 ABC2D13E18 -58.07 3.26 -8.74 -0.11 0
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293532 117392448 1 ClNO2C13H18 ABC2D13E18 -72.11 2.42 -8.61 -0.02 0
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293533 117392504 1 ClNO2C13H18 ABC2D13E18 -81.01 5.34 -8.54 -0.12 0
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293534 117392553 1 ClNO2C13H18 ABC2D13E18 -53.67 1.95 -8.39 -0.04 0
Show
293535 117392564 1 ClNO2C13H18 ABC2D13E18 -76.08 4.1 -8.72 -0.04 0
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293536 117392572 1 ClNO2C13H18 ABC2D13E18 -74.95 2.8 -8.7 0.04 0
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293537 117392574 1 ClNO2C13H18 ABC2D13E18 -93.51 1.6 -8.7 -0.28 0
Show
293538 117392576 1 ClNO2C13H18 ABC2D13E18 -81.44 1.94 -8.75 -0.22 0
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293539 117392680 1 ClNO2C13H18 ABC2D13E18 -85.9 3.87 -8.6 -0.18 0
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293540 117392683 1 ClNO2C13H18 ABC2D13E18 -81.61 4.22 -8.81 -0.05 0
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293541 117392686 1 ClNO2C13H18 ABC2D13E18 -88.24 2.36 -9.1 -0.28 0
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293542 117392691 1 ClNO2C13H18 ABC2D13E18 -75.58 2.61 -8.73 -0.24 0
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293543 117392710 1 ClNO2C13H18 ABC2D13E18 -78.95 3.37 -8.83 -0.03 0
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293544 117392743 1 ClNO2C13H18 ABC2D13E18 -82.51 1.58 -8.8 -0.36 0
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293545 117392744 1 ClNO2C13H18 ABC2D13E18 -80.35 1.33 -8.38 -0.12 0
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293546 117392754 1 ClNO2C13H18 ABC2D13E18 -36.18 1.82 -8.95 -0.15 0
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293547 117392773 1 ClNO2C13H18 ABC2D13E18 -84.92 2.41 -8.75 -0.2 0
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293548 117392774 1 ClNO2C13H18 ABC2D13E18 -87.35 1.37 -8.66 -0.14 0
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293549 117392775 1 ClNO2C13H18 ABC2D13E18 -83.62 1.57 -8.63 0.02 0
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293550 117392781 1 ClNO2C13H18 ABC2D13E18 -50.34 1.73 -9.11 -0.07 0
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293551 117392851 1 ClNO2C13H18 ABC2D13E18 -81.43 2.48 -9.08 -0.46 0
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293552 117392860 1 ClNO2C13H18 ABC2D13E18 -80.79 4.79 -8.75 -0.07 0
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293553 117392862 1 ClNO2C13H18 ABC2D13E18 -79.61 4.29 -8.65 0.01 0
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293554 117392875 1 ClNO2C13H18 ABC2D13E18 -52.41 3.92 -9.1 -0.35 0
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293555 117392902 1 ClNO2C13H18 ABC2D13E18 -71.44 5.08 -8.93 -0.39 0
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293556 117392924 1 ClNO2C13H18 ABC2D13E18 -75.63 2.46 -8.81 -0.05 0
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293557 117392979 1 ClFNC14H19 ABCD14E19 -51.73 1.89 -9.3 -0.28 0
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293558 117392998 1 ClFNC14H19 ABCD14E19 -64.22 2.04 -9.25 -0.27 0
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293559 117393050 1 ClFNC14H19 ABCD14E19 -65.62 1.08 -9.26 -0.26 0
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293560 117393065 1 ClNOC14H22 ABCD14E22 -61.1 3.5 -9.07 -0.08 0
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293561 117393124 1 ClNSC13H18 ABCD13E18 -1.87 2.74 -8.6 -0.18 0
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293562 117393223 1 BrNO2C10H10 ABC2D10E10 -25.35 1.96 -8.66 -0.4 0
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293563 117393224 1 BrNO2C10H10 ABC2D10E10 -5.14 0.9 -9.26 -0.6 0
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293564 117393240 1 BrFNC11H11 ABCD11E11 -12.29 4.87 -9.82 -0.66 0
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293565 117393241 1 BrFNC11H11 ABCD11E11 -11.5 3.7 -9.88 -0.63 0
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293566 117393254 1 BrNOC11H14 ABCD11E14 -21.25 3.39 -8.83 -0.01 0
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293567 117393255 1 BrNOC11H14 ABCD11E14 -18.27 3.98 -8.85 -0.41 0
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293568 117393472 1 ON2F3H11C12 AB2C3D11E12 -112.45 3.68 -9.39 -0.91 0
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293569 117393489 1 FO5C12H13 AB5C12D13 -238.47 6.43 -8.91 -0.61 0
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293570 117393498 1 FO5C12H13 AB5C12D13 -217.6 5.23 -9.12 -1.0 0
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293571 117393499 1 FO5C12H13 AB5C12D13 -225.13 3.53 -9.6 -1.04 0
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293572 117393509 1 FO5C12H13 AB5C12D13 -210.65 5.65 -8.96 -0.82 0
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293573 117393510 1 FO5C12H13 AB5C12D13 -213.63 3.3 -8.95 -1.06 0
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293574 117393518 1 FO5C12H13 AB5C12D13 -231.88 4.04 -9.16 -0.54 0
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293575 117393528 1 FO5C12H13 AB5C12D13 -227.72 3.15 -9.29 -0.53 0
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293576 117393597 1 F2O3C13H14 A2B3C13D14 -209.79 7.65 -9.03 -0.49 0
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293577 117393790 1 O2N4H12C13 A2B4C12D13 10.8 3.06 -8.56 -0.9 0
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293578 117393866 1 SO5C11H12 AB5C11D12 -175.22 6.54 -9.37 -0.89 0
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293579 117393869 1 SO5C11H12 AB5C11D12 -154.25 6.44 -9.34 -0.98 0
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293580 117393872 1 N2F3C13H15 A2B3C13D15 -136.4 3.31 -8.95 -0.59 0
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293581 117393874 1 N2F3C13H15 A2B3C13D15 -137.18 1.29 -8.91 -0.55 0
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293582 117393890 1 FO4C13H17 AB4C13D17 -201.94 4.09 -8.85 -0.03 0
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293583 117393916 1 FO4C13H17 AB4C13D17 -212.11 4.04 -9.23 -0.42 0
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293584 117393918 1 FO4C13H17 AB4C13D17 -208.03 1.69 -9.1 -0.45 0
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293585 117393933 1 FO4C13H17 AB4C13D17 -214.28 4.55 -9.19 -0.43 0
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293586 117393938 1 FO4C13H17 AB4C13D17 -201.31 5.51 -9.19 -0.4 0
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293587 117393940 1 FO4C13H17 AB4C13D17 -214.93 4.23 -9.45 -0.41 0
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293588 117393944 1 FO4C13H17 AB4C13D17 -207.4 4.46 -8.78 -0.56 0
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293589 117393945 1 FO4C13H17 AB4C13D17 -204.29 6.09 -8.75 -0.3 0
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293590 117393950 1 FO4C13H17 AB4C13D17 -202.8 3.89 -9.0 -0.12 0
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293591 117393955 1 FO4C13H17 AB4C13D17 -204.25 7.0 -9.06 -0.29 0
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293592 117393960 1 FO4C13H17 AB4C13D17 -209.03 3.6 -8.99 -0.2 0
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293593 117393998 1 FO4C13H17 AB4C13D17 -190.2 3.12 -8.4 -0.05 0
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293594 117394000 1 FO4C13H17 AB4C13D17 -176.62 4.01 -8.5 -0.12 0
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293595 117394001 1 FO4C13H17 AB4C13D17 -176.95 5.83 -8.53 -0.23 0
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293596 117394004 1 FN2O3C12H17 AB2C3D12E17 -151.33 1.26 -8.96 -0.13 0
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293597 117394010 1 SN2O4C10H12 AB2C4D10E12 -114.17 2.13 -9.21 -0.99 0
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293598 117394014 1 FSO3C12H13 ABC3D12E13 -142.18 1.89 -9.14 -0.87 0
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293599 117394071 1 OF2N2C13H18 AB2C2D13E18 -106.46 1.61 -8.79 -0.16 0