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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125572 50928800 1 ClFN3O4H15C19 ABC3D4E15F19 -136.44 8.73 -8.92 -0.82 0
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125573 50928801 1 SN3O4H19C20 AB3C4D19E20 -82.31 4.96 -8.34 -0.72 0
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125574 50928802 1 N3O4C22H23 A3B4C22D23 -99.07 3.79 -8.42 -0.38 0
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125575 50928803 1 FN3O4H18C20 AB3C4D18E20 -131.28 5.35 -8.75 -0.73 0
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125576 50928804 1 N3O4C23H25 A3B4C23D25 -102.17 5.25 -8.83 -0.4 0
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125577 50928805 1 BrN3O4H16C19 AB3C4D16E19 -79.34 6.28 -8.86 -0.82 0
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125578 50928806 1 F2N3O4H15C19 A2B3C4D15E19 -172.58 6.68 -8.83 -0.79 0
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125579 50928807 1 N3O5H19C21 A3B5C19D21 -122.61 6.43 -8.97 -0.72 0
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125580 50928808 1 N3O4C16H19 A3B4C16D19 -124.66 4.72 -8.65 -0.63 0
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125581 50928809 1 ClN3O4H20C21 AB3C4D20E21 -101.56 4.29 -8.74 -0.68 0
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125582 50928810 1 N3O5H21C22 A3B5C21D22 -121.95 5.24 -8.47 -0.69 0
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125583 50928811 1 N3O4C22H23 A3B4C22D23 -94.36 4.76 -8.67 -0.62 0
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125584 50928812 1 N3O5C21H21 A3B5C21D21 -125.48 4.34 -8.75 -0.33 0
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125585 50928813 1 N3O5C21H21 A3B5C21D21 -122.74 8.97 -8.68 -0.63 0
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125586 50928814 1 ClN3O4H18C20 AB3C4D18E20 -94.4 4.21 -8.74 -0.68 0
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125587 50928815 1 N3O6H17C20 A3B6C17D20 -144.18 5.26 -8.45 -0.56 0
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125588 50928816 1 N3O5H19C21 A3B5C19D21 -123.97 8.15 -8.89 -0.86 0
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125589 50928817 1 N3O6C22H23 A3B6C22D23 -157.38 4.21 -8.4 -0.38 0
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125590 50928900 1 ClN3O5H20C21 AB3C5D20E21 -135.88 4.92 -8.63 -0.66 0
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125591 50929070 1 FON5C18H18 ABC5D18E18 15.2 3.23 -8.63 -0.56 0
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125592 50929071 1 FON5H16C17 ABC5D16E17 17.23 3.39 -8.65 -0.5 0
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125593 50929400 1 SO3N4C22H22 AB3C4D22E22 -42.15 3.86 -8.78 -0.47 0
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125594 50929401 1 SO3N4C23H24 AB3C4D23E24 -52.43 5.23 -8.69 -0.41 0
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125595 50929439 1 OS3N5C9H11 AB3C5D9E11 46.75 3.28 -9.14 -1.28 0
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125596 50929440 1 O2S2N7H27C33 A2B2C7D27E33 74.42 8.77 -8.81 -1.44 0
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125597 50929441 1 SO2N5H17C18 AB2C5D17E18 22.66 4.86 -8.84 -0.62 0
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125598 50929449 1 BrNO3C18H18 ABC3D18E18 -88.96 3.14 -9.29 -1.27 0
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125599 50929481 1 NF3O5H14C18 AB3C5D14E18 -304.3 6.14 -9.52 -1.27 0
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125600 50929497 1 FNO6C22H26 ABC6D22E26 -258.55 4.27 -8.6 -0.76 0
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125601 50929677 1 NF3O4H18C19 AB3C4D18E19 -295.88 4.48 -9.58 -0.71 0
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125602 50929678 1 ClNO4C19H20 ABC4D19E20 -148.31 5.27 -9.44 -0.64 0
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125603 50929788 1 NCl2O4H15C17 AB2C4D15E17 -137.25 4.14 -9.5 -1.12 0
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125604 50929789 1 BrClNO4H15C17 ABCD4E15F17 -121.4 3.43 -9.44 -0.62 0
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125605 50929790 1 BrClNO4H15C17 ABCD4E15F17 -122.98 4.46 -9.44 -0.65 0
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125606 50929791 1 ClNF3O4H15C18 ABC3D4E15F18 -289.16 3.95 -9.84 -1.16 0
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125607 50929906 1 Br2N2O3H16C17 A2B2C3D16E17 -51.98 4.03 -8.88 -1.06 0
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125608 50929942 1 ClN2O5H21C22 AB2C5D21E22 -88.73 4.18 -8.38 -0.73 0
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125609 50929973 1 N2F3O3H13C18 A2B3C3D13E18 -173.27 6.21 -8.75 -0.99 0
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125610 50929974 1 ClN2O4H15C18 AB2C4D15E18 -58.8 4.46 -8.36 -0.71 0
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125614 50930085 1 PdN2O2F6C12H14 AB2C2D6E12F14 -346.72 11.87 -8.64 -0.39 0
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125615 50930086 1 CoN4O4C20H30 AB4C4D20E30 -176.59 47.5 0.0 0.0 0
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125618 50930215 1 FeS2N4O4C34H35 AB2C4D4E34F35 -94.61 11.17 0.0 0.0 1
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125619 50930216 1 ZnN4O5C34H35 AB4C5D34E35 -82.05 7.28 0.0 0.0 -1
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125620 50930217 1 N4O5C34H35 A4B5C34D35 -39.73 10.73 0.0 0.0 1
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125621 50930218 1 FeSN4O4C34H35 ABC4D4E34F35 39.38 9.23 0.0 0.0 0
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125622 50930244 1 ON3C18H21 AB3C18D21 21.96 6.94 -8.8 -0.43 0
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125623 50930245 1 NO7C27H45 AB7C27D45 -384.78 5.21 -10.03 0.32 0
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125624 50930246 1 HgO3F4H5C8 AB3C4D5E8 -270.42 2.96 0.0 0.0 -2
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125625 50930274 1 FeC4N4 AB4C4 188.01 0.02 -9.99 -2.15 0
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125626 50930349 1 MnO2N3C18H21 AB2C3D18E21 63.48 4.5 0.0 0.0 0
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125627 50930435 1 NO4C34H53 AB4C34D53 -241.95 3.19 -9.62 0.56 0
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125628 50930489 1 O11C24H28 A11B24C28 -451.34 1.95 -8.97 -0.52 0
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125629 50930512 1 CuN2O2H12C14 AB2C2D12E14 25.95 6.23 0.0 0.0 0
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125630 50930586 1 NSCl2O3H13C14 ABC2D3E13F14 -101.41 4.29 -9.28 -1.07 0
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125631 50930587 7 CH2 AB2 -14.17 0.56 -10.04 1.31 0
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125632 50930588 1 BrOC11H17 ABC11D17 -55.54 2.12 -9.84 -0.27 0
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125633 50930589 1 OC14H30 AB14C30 -116.47 2.03 -10.15 2.99 0
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125634 50930590 1 OC15H28 AB15C28 -55.95 1.72 -9.93 2.04 0
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125635 50930601 1 NiN4O4C22H34 AB4C4D22E34 -77.66 0.95 -7.65 -3.76 0
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125636 50930611 1 OsO6C15H24 AB6C15D24 -275.85 2.49 -9.92 -3.19 0
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125637 50930612 1 ZrO8F12C20H20 AB8C12D20E20 -979.43 2.74 -6.27 -1.39 0
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125638 50930613 1 ZnC7H12 AB7C12 39.87 0.19 -8.73 0.0 0
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125639 50930793 1 O2C21H38 A2B21C38 -126.46 1.83 -10.29 0.79 2
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125640 50930839 1 MgN5O5C63H93 AB5C5D63E93 -278.59 5.7 -6.91 -0.64 2
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125641 50930840 1 MgO5N6C61H84 AB5C6D61E84 -193.52 7.13 -6.78 -1.28 0
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125642 50930841 1 KS2N4O14C43H49 AB2C4D14E43F49 -473.78 33.13 -8.39 -2.09 1
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125643 50930858 1 SO4N5C28H30 AB4C5D28E30 7.24 32.36 0.0 0.0 0
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125644 50930871 1 CoO4C12H20 AB4C12D20 -156.52 33.27 0.0 0.0 1
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125645 50930963 1 OTcS2N3C19H38 ABC2D3E19F38 20.38 14.57 -6.71 -0.93 0
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125646 50931361 1 SbC6O9H20 AB6C9D20 -420.22 4.26 0.0 0.0 0
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125648 50931617 1 PbN2C15H30 AB2C15D30 115.75 26.19 -5.76 -3.74 2
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125650 50931966 1 HgOBr2P2H24C25 ABC2D2E24F25 0.11 16.56 -7.79 -1.09 0
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125651 50931967 1 NSnO2C22H31 ABC2D22E31 1.44 1.7 -8.03 -0.82 0
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125653 50932262 1 OSnC18H29 ABC18D29 -31.03 1.35 0.0 0.0 0
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125655 50932386 1 H2Ge7O9 A2B7C9 -572.82 7.21 -7.45 -0.85 0
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125656 50932387 1 PbC3O3H7 AB3C3D7 -82.64 5.55 0.0 0.0 1
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125658 50932494 1 GeNO8C16H25 ABC8D16E25 -296.93 3.79 -7.49 -0.65 0
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125659 50932505 1 SbC6O6H12 AB6C6D12 -147.49 7.62 0.0 0.0 4
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125660 50932558 1 ClPdP4C12H33 ABC4D12E33 -11.69 2.93 -6.66 -0.28 -2
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125661 50932718 1 ClCuO4N6C13H21 ABC4D6E13F21 95.83 2.38 0.0 0.0 -1
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125662 50932719 1 STlC4H11 ABC4D11 46.13 2.79 -8.27 -1.08 8
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125663 50932791 1 C2N2P2Co3O10H22 A2B2C2D3E10F22 -896.18 26.75 0.0 0.0 0
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125664 50932815 1 CuN6C16H32 AB6C16D32 82.85 5.09 0.0 0.0 0
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125666 50932926 1 HIn2S3 AB2C3 -0.89 4.76 0.0 0.0 6
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125668 50932928 1 TlO2C5H8 AB2C5D8 -85.87 7.39 0.0 0.0 4
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125670 50932930 1 IPbO2C13H20 ABC2D13E20 -14.02 4.88 0.0 0.0 0
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125671 50932931 1 IPbO2C13H20 ABC2D13E20 -20.59 2.06 0.0 0.0 0
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125672 50932932 1 BrPbO2C13H20 ABC2D13E20 23.23 3.14 0.0 0.0 6
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125675 50933247 1 PTaN2Si2C6Cl6H18 ABC2D2E6F6G18 -352.67 4.7 -9.32 -0.94 3
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125676 50933351 1 Pt2O5C10N11H26 A2B5C10D11E26 26.48 7.35 0.0 0.0 2
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125677 50933381 1 SCu3N7O8C22H54 AB3C7D8E22F54 -114.26 13.57 -7.55 -0.39 1
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125685 50933718 1 GaH3C6O12 AB3C6D12 -511.48 4.11 -10.86 -1.65 2
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125688 50933721 1 CuN5C6H21 AB5C6D21 81.16 4.74 0.0 0.0 2
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125689 50933722 1 CuN2O6C34H54 AB2C6D34E54 -191.08 3.63 0.0 0.0 1
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125690 50933843 1 PSbN2O2Cl5C7H17 ABC2D2E5F7G17 -267.27 4.88 -10.07 -0.81 0
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125691 50933852 1 MoH2Sb8 AB2C8 221.65 4.37 -6.59 -0.38 0
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125692 50933854 1 MoH4Sb8 AB4C8 213.42 4.07 -6.78 -0.29 -5
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125694 50933856 1 CuCl2N3C12H21 AB2C3D12E21 92.44 6.68 0.0 0.0 -6
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125700 50934436 1 GeO5C28H46 AB5C28D46 -96.73 5.54 -5.95 -1.66 -19
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125702 50934517 1 SnO4F6H17C22 AB4C6D17E22 -353.16 2.79 0.0 0.0 4