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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5715 13542 1 ON2C8H18 AB2C8D18 -28.29 4.45 -9.25 0.52 0
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5716 13543 1 NO2C4H7 AB2C4D7 -74.88 2.92 -10.46 -0.11 0
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5717 13544 1 NO2C4H9 AB2C4D9 -37.18 3.02 -9.97 -0.42 0
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5718 13545 1 ON2C4H10 AB2C4D10 -7.73 4.56 -9.4 0.45 0
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5719 13546 2 OC3H5 AB3C5 -94.47 2.48 -10.28 0.05 0
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5720 13547 1 ClN5C6H16 AB5C6D16 -26.47 5.21 -9.47 -0.06 0
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5721 13548 1 N5C6H15 A5B6C15 13.1 1.53 -8.98 0.37 0
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5722 13550 2 OC3H5 AB3C5 -83.35 1.38 -10.88 -0.3 0
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5723 13552 1 O2C7H14 A2B7C14 -122.43 2.04 -10.75 0.89 0
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5724 13553 1 NO3C5H11 AB3C5D11 -61.5 3.63 -11.56 -0.87 0
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5725 13554 1 AsCl2C3H7 AB2C3D7 -56.49 3.45 -9.88 -0.88 0
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5726 13556 2 ClC2H3 AB2C3 -20.83 2.5 -9.96 -0.08 0
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5727 13557 1 OC5H10 AB5C10 -44.74 1.28 -9.27 1.33 0
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5728 13559 1 S2N4C7H14 A2B4C7D14 64.06 2.0 -9.24 -0.49 0
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5730 13599 1 SH2N2O2C3 AB2C2D2E3 41.05 4.04 -10.38 -1.82 0
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5731 13601 2 OC3H6 AB3C6 -116.68 3.35 -10.16 2.32 0
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5732 13602 1 NOC6H7 ABC6D7 15.7 3.73 -8.98 -0.51 0
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5733 13604 2 NC3H6 AB3C6 -0.49 2.84 -9.06 1.25 0
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5734 13606 1 NH5C7 AB5C7 74.1 2.81 -9.67 -0.3 0
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5735 13609 2 C4H7 A4B7 -8.08 0.37 -9.35 1.53 0
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5736 13610 1 NOC7H11 ABC7D11 -37.1 5.22 -10.84 0.96 0
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5737 13625 1 NOSH5C7 ABCD5E7 -15.44 4.11 -9.11 -0.55 0
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5738 13626 1 ClOSC7H7 ABCD7E7 -11.75 3.98 -8.62 -0.51 0
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5739 13628 1 C5N5H9 A5B5C9 31.94 1.39 -9.6 0.04 0
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5740 13639 1 N2C9H10 A2B9C10 47.22 2.57 -9.18 -0.21 0
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5741 13640 1 BrON2C7H7 ABC2D7E7 37.27 2.62 -9.22 -0.89 0
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5742 13641 1 FON2C7H7 ABC2D7E7 -12.03 2.71 -9.21 -0.75 0
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5743 13643 1 ON2C8H10 AB2C8D10 29.9 4.27 -9.34 -0.05 0
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5744 13644 1 ClNC11H22 ABC11D22 -33.7 4.94 -8.89 1.03 0
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5745 13646 1 ClSO2C8H9 ABC2D8E9 -69.82 5.71 -10.41 -0.79 0
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5746 13647 1 OCl4H4C7 AB4C4D7 -40.85 2.23 -9.64 -1.09 0
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5747 13651 1 NH9C11 AB9C11 56.73 2.79 -9.63 -0.41 0
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5748 13655 1 ClN2O2H3C7 AB2C2D3E7 47.44 4.25 -10.64 -2.01 0
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5749 13657 2 NOC4H5 ABC4D5 -4.84 3.45 -8.59 -0.4 0
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5750 13658 1 O3C9H10 A3B9C10 -105.69 4.27 -9.58 -0.23 0
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5751 13659 1 INC12H24 ABC12D24 3.99 4.22 -8.51 0.88 0
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5752 13660 1 NC12H24 AB12C24 1.32 0.19 0.0 0.0 1
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5753 13675 1 PSO2C10H15 ABC2D10E15 -137.4 2.1 -9.15 -0.15 0
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5754 13682 1 ClNO3C10H16 ABC3D10E16 -157.35 6.37 -9.11 -0.49 0
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5755 13687 1 ClON2C11H19 ABC2D11E19 -32.64 6.18 -9.37 -0.1 0
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5756 13690 1 NOC12H23 ABC12D23 -90.34 3.94 -9.67 1.22 0
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5757 13694 1 ClH9C14 AB9C14 44.89 1.8 -8.87 -0.82 0
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5758 13695 1 NH11C14 AB11C14 53.14 1.96 -8.16 -0.45 0
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5759 13713 1 N3H11C13 A3B11C13 63.7 5.01 -8.02 -0.72 0
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5760 13722 1 SO3C13H18 AB3C13D18 -130.05 5.25 -10.18 -0.54 0
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5761 13742 3 ClNOC3H4 ABCD3E4 -105.41 2.72 -10.79 -0.66 0
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5762 13749 1 KNO4C14H16 ABC4D14E16 -193.88 9.37 -8.45 0.1 0
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5763 13750 1 NO4C14H17 AB4C14D17 -151.52 3.86 -9.74 -0.58 0
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5764 13751 1 N2C17H22 A2B17C22 48.35 2.01 -8.04 0.14 0
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5765 13752 1 S2O3N4H8C10 A2B3C4D8E10 56.07 4.33 -9.47 -2.08 0
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5766 13754 1 PN2O4C12H21 AB2C4D12E21 -244.65 1.73 -10.17 -0.45 0
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5767 13755 1 SO3N4C12H14 AB3C4D12E14 -49.36 7.91 -8.58 -0.54 0
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5768 13756 1 ClN2O2H11C15 AB2C2D11E15 35.56 5.84 -9.0 -1.76 0
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5769 13757 1 NH15C19 AB15C19 64.96 3.02 -8.52 -0.94 0
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5770 13758 1 ClNO3C16H26 ABC3D16E26 -171.63 6.06 -8.64 0.03 0
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5771 13759 1 N3O4H11C13 A3B4C11D13 23.79 9.11 -9.64 -1.64 0
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5772 13761 1 FON2C16H25 ABC2D16E25 -102.44 1.84 -8.79 -0.03 0
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5773 13763 1 NC19H34 AB19C34 -10.72 1.65 0.0 0.0 1
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5774 13765 1 OC20H32 AB20C32 -90.15 1.94 -8.98 1.65 0
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5775 13766 1 O2C19H24 A2B19C24 -81.33 7.74 -8.9 -0.45 0
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5776 13767 1 O2H16C19 A2B16C19 -39.14 2.82 -8.79 -0.78 0
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5777 13774 2 N2O3H4C6 A2B3C4D6 32.07 2.09 -10.15 -2.36 0
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5778 13775 2 N2O3H4C6 A2B3C4D6 33.33 7.47 -10.08 -2.16 0
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5780 13777 1 N2O8C15H24 A2B8C15D24 -336.13 11.38 -10.28 -0.68 0
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5781 13778 1 ON2C9H16 AB2C9D16 -1.35 2.35 -8.85 0.34 0
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5782 13780 1 ON2C10H18 AB2C10D18 -5.72 1.9 -8.62 0.32 0
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5783 13783 1 N2O7C14H18 A2B7C14D18 -136.21 7.55 -10.64 -2.06 0
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5784 13785 1 NOC21H25 ABC21D25 -7.41 3.34 -8.97 0.31 0
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5785 13786 1 ClNO2C20H24 ABC2D20E24 -72.81 2.88 -9.36 -0.13 0
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5786 13787 1 NO2C20H23 AB2C20D23 -35.01 2.49 -9.09 0.24 0
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5787 13788 1 CaSN2O4C16H18 ABC2D4E16F18 -172.83 5.83 -7.07 -0.01 2
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5788 13789 1 O3C22H28 A3B22C28 -81.48 7.32 -8.58 -0.66 0
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5789 13790 1 O2C23H32 A2B23C32 -102.33 5.62 -9.46 -0.27 0
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5790 13791 1 O3C23H32 A3B23C32 -165.84 0.99 -8.69 0.3 0
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5791 13792 1 SO5N6C14H20 AB5C6D14E20 -157.04 5.08 -9.34 -0.78 0