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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311569 126593848 1 FN3O4H16C18 AB3C4D16E18 -143.5 9.61 -8.85 -1.01 0
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311570 126593850 1 O2N5C10H13 A2B5C10D13 -11.15 3.25 -9.45 -0.88 0
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311571 126593855 1 ClN4C27H35 AB4C27D35 117.54 3.48 -8.62 -0.7 0
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311572 126593862 1 NOC13H15 ABC13D15 -23.31 2.15 -8.33 -0.42 0
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311573 126593892 3 SN2O3H18C19 AB2C3D18E19 -181.69 1.15 -8.81 -1.34 0
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311574 126593986 1 O5N9H41C61 A5B9C41D61 184.69 3.47 -8.68 -1.15 0
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311575 126594013 1 O3N5C30H33 A3B5C30D33 -15.21 5.33 -8.9 -0.66 0
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311576 126594039 1 BrClSN2O2H16C18 ABCD2E2F16G18 -19.34 7.58 -9.44 -1.4 0
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311577 126594042 1 ClO2N3H26C27 AB2C3D26E27 -22.64 3.55 -9.36 -1.24 0
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311578 126594047 1 ON2C28H28 AB2C28D28 39.47 4.04 -8.83 -0.53 0
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311579 126594048 1 N2O3H28C29 A2B3C28D29 -42.88 6.37 -8.95 -0.93 0
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311580 126594049 1 ON4C27H28 AB4C27D28 50.34 1.39 -8.89 -0.85 0
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311581 126594059 1 IO2C7H9 AB2C7D9 -73.37 4.2 -9.89 -1.2 0
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311582 126594060 1 ISN2O3C9H15 ABC2D3E9F15 -92.89 3.5 -9.52 -0.92 0
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311583 126594108 3 Cl2O2N3H9C19 A2B2C3D9E19 136.86 1.81 -8.68 -1.52 0
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311584 126594134 3 ClN3H8C16 AB3C8D16 337.39 0.71 -8.92 -1.48 0
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311585 126594136 1 PN10O10C20H25 AB10C10D20E25 -370.46 8.06 -9.16 -0.64 0
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311587 126594373 1 PS2O9N10C21H25 AB2C9D10E21F25 -229.76 10.26 -9.3 -1.48 0
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311589 126594376 1 FPSN4O5C13H14 ABCD4E5F13G14 -233.95 2.75 -8.88 -0.49 0
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311590 126594378 1 FPSO9N10C22H28 ABCD9E10F22G28 -372.38 8.6 -9.17 -0.81 0
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311591 126594387 1 FPSO8N10C22H28 ABCD8E10F22G28 -322.62 14.86 -9.16 -1.01 1
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311592 126595408 1 P2S2O8N9C22H28 A2B2C8D9E22F28 -279.69 11.72 0.0 0.0 0
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311593 126595415 1 NO7C28H33 AB7C28D33 -218.56 2.15 -7.89 -0.33 0
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311594 126595416 1 NO7C23H27 AB7C23D27 -241.32 5.25 -8.84 -0.48 0
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311595 126595417 1 O7C23H26 A7B23C26 -244.97 3.57 -8.68 -0.4 0
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311596 126595424 1 PS2F3O7N11C20H23 AB2C3D7E11F20G23 -355.74 12.82 -9.35 -1.42 1
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311597 126595429 1 P2N10O13C22H29 A2B10C13D22E29 -458.23 8.19 0.0 0.0 0
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311598 126595447 1 NO6H13C17 AB6C13D17 -193.12 3.34 -9.12 -1.16 0
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311599 126595449 1 FPSO8N11C19H23 ABCD8E11F19G23 -292.41 14.07 -9.1 -1.52 0
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311600 126595456 1 FP2N9O9C20H24 AB2C9D9E20F24 -248.57 17.95 -8.69 -1.16 1
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311601 126595459 1 P2N9O13C21H26 A2B9C13D21E26 -490.21 16.82 0.0 0.0 0
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311602 126595463 1 FNSO4C31H36 ABCD4E31F36 -131.36 4.46 -8.7 -0.43 0
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311603 126595464 1 FS2O4C28H31 AB2C4D28E31 -148.86 7.01 -8.96 -0.4 0
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311604 126595465 1 N6C9H16 A6B9C16 70.74 5.1 -9.03 -0.02 0
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311605 126595466 1 ON4C5H10 AB4C5D10 14.72 2.78 -8.6 -0.39 0
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311606 126595471 1 PF2O9N11C19H22 AB2C9D11E19F22 -378.56 15.69 -9.12 -1.77 0
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311607 126595472 1 PN10O10C20H25 AB10C10D20E25 -337.9 12.02 -9.28 -1.57 0
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311608 126595476 1 PF2O8N11C19H22 AB2C8D11E19F22 -334.86 14.63 -9.15 -1.36 0
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311609 126595539 1 O6H16C19 A6B16C19 -171.4 5.8 -8.98 -0.78 0
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311610 126595541 1 N2H20C23 A2B20C23 100.41 4.28 -8.64 -0.39 0
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311611 126595545 1 N3O3C25H25 A3B3C25D25 -39.39 4.71 -8.3 -0.74 0
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311612 126595559 1 BrN2H5F8C12 AB2C5D8E12 -338.6 1.92 -9.16 -1.69 0
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311613 126595565 1 BrN2H7F8C12 AB2C7D8E12 -348.2 6.63 -9.07 -1.25 0
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311614 126595566 1 FN6C28H43 AB6C28D43 -20.1 4.36 -9.36 -0.62 0
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311615 126595603 1 NC10H11 AB10C11 71.73 2.78 -8.98 -0.67 0
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311616 126595606 1 O3C17H20 A3B17C20 -36.88 4.61 -9.86 0.21 0
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311617 126595617 1 N3H35C50 A3B35C50 245.83 3.23 -8.73 -0.82 0
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311618 126595618 1 FN6C18H19 AB6C18D19 98.17 6.13 -8.44 -0.72 0
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311619 126595664 1 SO2N6C28H44 AB2C6D28E44 -69.12 9.09 -9.28 -0.81 0
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311620 126595687 1 N5H39C62 A5B39C62 331.32 6.05 -7.97 -1.1 0
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311621 126595691 1 O2N3H29C44 A2B3C29D44 144.5 3.73 -7.86 -1.08 0
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311622 126595694 1 N7H29C52 A7B29C52 357.66 6.32 -7.88 -1.51 0
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311623 126595697 1 N7H25C46 A7B25C46 334.39 6.49 -7.91 -1.51 0
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311624 126595703 1 N5H67C92 A5B67C92 373.59 2.02 -7.78 -0.76 0
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311625 126595739 1 SO3N5C25H37 AB3C5D25E37 -104.6 9.49 -8.65 -0.36 0
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311626 126595806 1 OSN5C27H41 ABC5D27E41 -12.97 8.14 -8.45 -0.35 0
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311628 126595859 1 IO9C23H33 AB9C23D33 -385.29 4.79 -10.04 -1.27 0
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311629 126595863 3 N3H23C33 A3B23C33 494.53 1.39 -7.76 -0.88 0
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311630 126595869 2 FO2H7C9 AB2C7D9 -174.28 1.02 -8.97 -0.89 0
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311631 126595872 2 N2O3C10H17 A2B3C10D17 -253.77 5.02 -9.59 -0.12 0
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311632 126595876 1 FON2C19H27 ABC2D19E27 -73.23 3.25 -8.73 -0.07 0
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311633 126595878 1 O3N7C19H21 A3B7C19D21 3.64 4.75 -8.67 -0.4 0
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311634 126595885 2 N3O4C24H42 A3B4C24D42 -403.54 5.14 -8.38 0.28 0
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311635 126595886 1 SN7O7C49H83 AB7C7D49E83 -322.47 7.21 -8.27 -1.0 0
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311636 126595903 3 N2O3C15H26 A2B3C15D26 -435.55 8.89 -9.12 0.32 0
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311637 126595912 1 NOC11H17 ABC11D17 -32.16 2.85 -7.86 0.65 0
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311638 126596027 1 OSN5C20H21 ABC5D20E21 63.79 6.74 -8.36 -0.5 0
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311639 126596233 1 SN3H27C41 AB3C27D41 207.01 6.14 -8.49 -1.09 0
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311640 126596235 1 SN3H31C42 AB3C31D42 203.99 4.57 -8.1 -0.96 0
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311641 126596618 1 NC19H41 AB19C41 -90.25 1.53 -8.72 3.15 0
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311643 126596711 1 N2O8C29H36 A2B8C29D36 -321.42 7.4 -8.91 -0.86 0
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311644 126596722 1 O2N3H23C38 A2B3C23D38 158.11 3.27 -8.22 -1.07 0
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311645 126596729 1 SN3H29C44 AB3C29D44 224.68 2.69 -8.2 -0.92 0
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311647 126596829 1 ON3H23C33 AB3C23D33 145.51 7.92 -8.53 -0.89 0
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311648 126596830 1 ON3H27C43 AB3C27D43 194.37 2.63 -8.0 -0.97 0
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311649 126596831 1 INOH18C30 ABCD18E30 126.39 2.42 -8.3 -1.11 0
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311650 126596832 1 ON2H20C30 AB2C20D30 102.3 3.95 -8.18 -0.5 0
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311651 126596833 1 ON2H24C32 AB2C24D32 178.55 6.17 -8.06 -0.95 0
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311653 126596837 1 SN3H33C43 AB3C33D43 279.69 8.79 -6.9 -1.44 0
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311654 126596838 1 ClO2N5H22C28 AB2C5D22E28 32.18 7.15 -8.38 -1.09 0
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311655 126596839 1 PN4O10C18H23 AB4C10D18E23 -337.66 4.12 -9.46 -1.94 0
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311656 126596840 1 PN4O8C18H23 AB4C8D18E23 -332.89 5.91 -9.96 -1.94 0
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311657 126596841 1 ClO2N4H23C24 AB2C4D23E24 10.05 3.39 -9.24 -0.89 0
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311658 126596842 1 BrNO2C9H12 ABC2D9E12 -77.62 2.54 -8.63 -0.51 0
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311659 126596843 1 ON3H27C44 AB3C27D44 193.75 3.44 -8.29 -0.8 0
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311660 126596844 1 ON3H21C30 AB3C21D30 102.15 5.57 -7.97 -0.58 0
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311661 126596845 1 ON3H29C42 AB3C29D42 164.88 2.79 -7.87 -0.61 0
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311662 126596846 1 ON2H24C30 AB2C24D30 93.96 1.83 -7.9 -0.39 0
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311663 126596847 1 ON3H33C43 AB3C33D43 141.11 4.65 -7.82 -0.42 0
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311664 126596849 1 ON3H29C32 AB3C29D32 84.83 4.51 -7.76 -0.34 0
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311665 126596850 1 ON2H22C32 AB2C22D32 148.07 5.03 -8.32 -1.01 0
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311666 126596851 1 ON2H18C31 AB2C18D31 248.78 3.28 -8.46 -1.04 0
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311667 126596852 1 ON2H20C31 AB2C20D31 138.23 3.22 -8.38 -0.85 0
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311668 126596853 1 ON2H20C30 AB2C20D30 102.64 2.98 -8.12 -0.63 0
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311669 126596854 1 O2N3H27C44 A2B3C27D44 266.15 6.06 -8.34 -1.07 0
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311670 126596855 1 NSC12H23 ABC12D23 -29.3 2.85 -8.88 0.48 0
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311671 126596856 1 O2N3H25C44 A2B3C25D44 206.96 2.61 -8.57 -1.1 0
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311672 126596857 1 S2N3H23C38 A2B3C23D38 217.93 6.55 -8.45 -1.13 0
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311673 126596858 1 ON3H39C45 AB3C39D45 189.64 7.74 -7.77 -0.83 0
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311674 126596859 1 ON3H29C44 AB3C29D44 190.45 3.66 -8.32 -1.01 0