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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79553 49829472 1 SN5C25H37 AB5C25D37 59.78 5.19 -8.7 -0.04 -1
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79554 49829482 1 NO6H24C26 AB6C24D26 -192.1 6.23 0.0 0.0 0
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79555 49829485 1 SO4N5C21H25 AB4C5D21E25 -77.92 5.75 -8.56 -0.38 2
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79556 49829489 1 ClO2N4C22H37 AB2C4D22E37 -25.26 7.12 -5.71 -0.53 0
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79557 49829492 1 ClOSN4C23H27 ABCD4E23F27 3.19 6.92 -8.87 -0.39 0
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79558 49829494 1 ClSN3O4H20C21 ABC3D4E20F21 -95.06 4.96 -8.94 -0.81 2
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79559 49829497 1 ClO3N4C23H31 AB3C4D23E31 -75.34 5.3 -7.13 -0.27 1
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79560 49829500 1 SO3N4C23H27 AB3C4D23E27 41.91 2.93 0.0 0.0 0
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79561 49829503 1 F3O3N4H21C22 A3B3C4D21E22 -170.02 4.61 -9.01 -0.86 2
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79562 49829506 1 FN2O3C25H35 AB2C3D25E35 -92.06 15.79 -5.98 -0.19 1
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79563 49829511 1 ClFOSN5C20H22 ABCDE5F20G22 14.4 3.72 0.0 0.0 0
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79564 49829523 1 ClN3O4C23H26 AB3C4D23E26 -136.05 6.97 -8.38 -0.71 0
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79565 49829524 1 FSN3O5H16C21 ABC3D5E16F21 -167.49 7.35 -9.18 -1.74 1
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79566 49829528 1 N2O4C26H37 A2B4C26D37 -109.73 5.32 0.0 0.0 0
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79567 49829529 2 NO2C13H18 AB2C13D18 -129.28 3.62 -8.64 0.18 2
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79568 49829534 1 ON4C27H38 AB4C27D38 68.9 3.72 -7.48 -0.33 0
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79569 49829536 1 SN2O3C25H28 AB2C3D25E28 -62.92 5.85 -8.38 -0.95 1
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79570 49829538 1 NF3O3C25H27 AB3C3D25E27 -198.64 2.44 0.0 0.0 0
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79571 49829541 1 SN2O6C22H26 AB2C6D22E26 -203.48 11.87 -8.98 -1.0 0
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79572 49829542 1 BrO3N4H15C19 AB3C4D15E19 -4.33 4.68 -9.05 -1.63 0
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79573 49829546 1 SO2N5C24H25 AB2C5D24E25 46.71 9.52 -9.07 -0.63 0
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79574 49829558 1 SO4N5C20H23 AB4C5D20E23 -105.89 3.92 -9.17 -1.01 0
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79575 49829565 1 O2N3C28H35 A2B3C28D35 -48.93 4.18 -8.25 -0.27 1
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79576 49829584 1 OS2N5C21H24 AB2C5D21E24 81.95 2.69 0.0 0.0 0
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79577 49829586 1 SO4N5C21H27 AB4C5D21E27 -96.81 1.1 -9.04 -1.3 -1
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79578 49829588 1 N3O6C23H34 A3B6C23D34 -281.32 4.07 0.0 0.0 1
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79579 49829590 1 N2O2S2H23C24 A2B2C2D23E24 46.24 6.78 0.0 0.0 -1
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79580 49829595 1 N2S2O4C22H23 A2B2C4D22E23 -86.16 10.97 0.0 0.0 0
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79581 49829598 1 FSN2O5C22H25 ABC2D5E22F25 -230.25 1.48 -8.66 -0.85 1
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79582 49829606 1 ClSN3O3C21H27 ABC3D3E21F27 -80.51 6.72 0.0 0.0 0
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79583 49829618 1 N2O7C20H24 A2B7C20D24 -288.26 6.66 -9.59 -0.48 0
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79584 49829619 1 BrN2O4H17C19 AB2C4D17E19 -102.42 5.28 -9.01 -1.3 1
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79585 49829625 1 ClFO3N4C20H21 ABC3D4E20F21 -94.96 19.41 0.0 0.0 0
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79586 49829628 1 Cl2N2O3H16C20 A2B2C3D16E20 -60.15 4.34 -9.33 -1.56 0
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79587 49829629 1 SN3O3H19C22 AB3C3D19E22 -23.87 3.14 -9.13 -1.0 1
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79588 49829632 1 N5O5C20H24 A5B5C20D24 -143.04 8.29 0.0 0.0 0
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79589 49829638 1 FN2O4C23H27 AB2C4D23E27 -190.16 3.18 -9.58 -0.22 0
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79590 49829646 1 ClFN3O5H17C18 ABC3D5E17F18 -223.66 7.17 -9.13 -1.55 0
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79591 49829649 1 NO4C24H39 AB4C24D39 -212.33 7.55 -9.24 0.86 0
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79592 49829650 1 N3O4H21C24 A3B4C21D24 -67.28 5.7 -9.4 -0.97 0
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79593 49829651 1 S2N3O4C19H19 A2B3C4D19E19 -116.74 4.95 -8.69 -1.1 0
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79594 49829654 1 SO3N4C22H22 AB3C4D22E22 -69.24 7.8 -8.68 -0.56 2
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79595 49829656 1 N2O3C25H36 A2B3C25D36 6.72 4.57 -5.25 -0.07 2
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79596 49829660 1 ClON4C23H33 ABC4D23E33 0.96 2.69 -8.95 -1.12 0
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79597 49829669 2 OSC12H18 ABC12D18 -21.44 0.32 -8.58 0.18 0
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79598 49829676 1 BrSN2O4H13C16 ABC2D4E13F16 -53.78 3.1 -8.92 -1.31 0
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79599 49829681 1 N2O6C23H24 A2B6C23D24 -185.52 5.24 -9.55 -0.87 0
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79600 49829684 1 ClSO2N3C20H20 ABC2D3E20F20 -5.99 1.88 -8.7 -0.53 1
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79601 49829689 1 ClN2O2C23H32 AB2C2D23E32 -41.11 2.71 0.0 0.0 0
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79602 49829690 1 ClNO5C22H26 ABC5D22E26 -193.86 5.69 -8.73 -0.25 2