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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
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79603 49829692 1 N3O5C22H33 A3B5C22D33 -107.74 11.92 -6.29 -0.29 0
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79604 49829693 2 ClNO2C10H10 ABC2D10E10 -160.48 4.41 -9.04 -0.71 2
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79605 49829699 1 O2N3C25H31 A2B3C25D31 10.85 10.23 -6.32 -0.05 2
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79606 49829703 1 O3N4C22H34 A3B4C22D34 -64.86 4.45 -8.83 -0.13 0
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79607 49829705 1 SN2O4C21H26 AB2C4D21E26 -128.41 3.23 -9.01 -0.74 1
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79608 49829706 1 FN2O5C21H30 AB2C5D21E30 -226.57 4.91 0.0 0.0 1
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79609 49829710 1 N2O5C23H31 A2B5C23D31 -135.56 8.81 0.0 0.0 1
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79610 49829711 1 ClS2N3O3C17H23 AB2C3D3E17F23 -52.54 4.96 0.0 0.0 1
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79611 49829712 1 N2O7C20H25 A2B7C20D25 -143.87 14.36 0.0 0.0 1
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79612 49829716 1 N3O4C23H28 A3B4C23D28 -103.79 6.34 0.0 0.0 0
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79613 49829717 1 N3O4C23H27 A3B4C23D27 -122.24 5.77 -8.74 -0.14 1
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79614 49829719 1 FON6C22H24 ABC6D22E24 66.81 4.96 0.0 0.0 0
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79615 49829725 1 ClN3O6H14C18 AB3C6D14E18 -92.03 5.16 -9.82 -1.88 0
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79616 49829728 1 SN3O4C21H25 AB3C4D21E25 -114.37 6.62 -9.42 -0.71 0
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79617 49829733 1 N5O5C20H33 A5B5C20D33 -208.77 2.49 -9.4 -0.36 0
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79618 49829735 1 NSF2O5C19H19 ABC2D5E19F19 -255.46 7.56 -9.73 -1.3 0
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79619 49829738 1 NO6C23H25 AB6C23D25 -159.14 6.84 -8.43 -1.31 0
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79620 49829739 1 N2O3C25H32 A2B3C25D32 -123.34 2.32 -8.9 -0.49 1
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79621 49829742 1 O3N4C23H31 A3B4C23D31 -74.02 3.97 0.0 0.0 0
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79622 49829743 1 O3N4C23H30 A3B4C23D30 -84.01 3.77 -8.89 -0.15 0
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79623 49829761 1 ClN3O5H18C20 AB3C5D18E20 -158.21 4.02 -9.35 -1.51 0
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79624 49829764 1 SN2O3C24H24 AB2C3D24E24 -34.61 1.62 -8.52 -0.16 1
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79625 49829767 1 N3O3C25H34 A3B3C25D34 -91.29 4.87 0.0 0.0 0
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79626 49829771 1 SN2O3C23H24 AB2C3D23E24 -47.71 5.66 -8.66 -0.7 0
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79627 49829773 1 NO5C25H29 AB5C25D29 -158.62 6.0 -8.7 -0.96 1
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79628 49829780 1 NO4C24H34 AB4C24D34 -142.35 3.71 0.0 0.0 0
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79629 49829781 1 NO4C24H33 AB4C24D33 -165.63 5.32 -9.07 -0.17 1
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79630 49829785 1 NO5C23H36 AB5C23D36 -208.51 5.65 0.0 0.0 0
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79631 49829786 1 NO5C23H35 AB5C23D35 -226.56 6.87 -9.06 0.88 1
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79632 49829792 1 O3N4C23H31 A3B4C23D31 -94.81 6.86 0.0 0.0 0
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79633 49829794 1 SN3O4C21H23 AB3C4D21E23 -102.58 4.51 -9.26 -1.49 0
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79634 49829796 1 N2O7C20H24 A2B7C20D24 -194.29 8.67 -9.37 -1.48 1
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79635 49829798 1 OSN6C21H23 ABC6D21E23 99.05 13.44 0.0 0.0 1
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79636 49829800 1 ClO2N3C23H23 AB2C3D23E23 -13.37 4.08 0.0 0.0 0
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79637 49829804 1 ClSN2O4H19C20 ABC2D4E19F20 -111.94 4.58 -9.1 -1.0 0
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79638 49829806 1 SN3O5C19H25 AB3C5D19E25 -212.07 6.05 -9.27 -0.57 0
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79639 49829811 1 N3O4C24H25 A3B4C24D25 -102.8 5.87 -8.95 -0.98 0
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79640 49829817 1 NSO5H17C23 ABC5D17E23 -98.89 3.97 -8.84 -1.35 0
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79641 49829821 1 FOS2N4H17C20 ABC2D4E17F20 27.66 1.83 -9.07 -1.15 0
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79642 49829824 1 N3O5C21H27 A3B5C21D27 -67.92 3.75 -9.04 -1.1 1
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79643 49829826 1 BrN2O3C19H22 AB2C3D19E22 -49.25 4.46 0.0 0.0 0
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79644 49829827 1 BrN2O3C19H21 AB2C3D19E21 -66.79 3.28 -8.85 -0.18 1
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79645 49829828 1 SO2N3C24H28 AB2C3D24E28 6.95 8.36 0.0 0.0 0
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79646 49829831 1 NO3C26H39 AB3C26D39 -171.75 3.93 -9.02 0.75 0
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79647 49829834 1 N3O3C25H29 A3B3C25D29 -73.08 5.44 -9.12 -0.41 1
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79648 49829842 1 ClSO2N4C19H22 ABC2D4E19F22 -14.34 16.59 0.0 0.0 0
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79649 49829845 1 NO6C22H27 AB6C22D27 -216.19 10.04 -8.2 -0.81 -1
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79650 49829846 1 NF3O4H19C21 AB3C4D19E21 -230.66 21.09 0.0 0.0 2
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79651 49829851 1 SN5H23C24 AB5C23D24 146.95 3.04 -6.59 -0.93 0
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79652 49829853 1 ClFN2O5H18C19 ABC2D5E18F19 -125.97 8.83 -8.81 -1.46 0