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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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319501 126656400 1 OSN4H30C46 ABC4D30E46 208.41 1.72 -8.25 -1.12 0
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319502 126656403 1 ON2H40C58 AB2C40D58 227.53 2.22 -7.96 -0.64 0
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319503 126656404 1 ON2H42C61 AB2C42D61 216.76 3.08 -7.97 -0.66 0
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319504 126656405 1 ON2H36C52 AB2C36D52 186.96 1.08 -8.04 -0.49 0
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319507 126656420 1 IN3H22C28 AB3C22D28 150.76 4.16 -9.22 -1.1 0
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319508 126656428 1 ON2H44C57 AB2C44D57 168.36 1.72 -7.64 -0.7 0
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319509 126656460 1 ON4H32C54 AB4C32D54 248.8 3.42 -8.16 -1.17 0
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319513 126656511 1 ON5H43C62 AB5C43D62 271.19 4.47 -8.03 -1.08 0
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319515 126656513 1 ON2H40C57 AB2C40D57 200.99 0.74 -7.84 -0.76 0
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319516 126656514 1 ON2H34C52 AB2C34D52 202.39 0.55 -7.98 -0.8 0
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319517 126656516 1 ON2H36C54 AB2C36D54 211.24 1.44 -7.96 -0.89 0
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319518 126656517 1 ClNOH18C30 ABCD18E30 98.26 2.69 -8.23 -0.98 0
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319519 126656518 1 SN2H32C48 AB2C32D48 213.59 0.46 -8.0 -0.79 0
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319521 126656521 1 ON2H36C54 AB2C36D54 212.16 1.4 -8.03 -0.74 0
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319522 126656523 1 ON5H37C56 AB5C37D56 243.77 4.0 -8.2 -0.75 0
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319523 126656525 1 ON5H39C61 AB5C39D61 282.1 5.74 -7.95 -1.1 0
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319524 126656528 1 NOH25C37 ABC25D37 106.28 0.68 -8.06 -0.72 0
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319525 126656530 1 ON2H36C47 AB2C36D47 232.41 3.09 -8.07 -2.02 0
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319526 126656534 1 ON5H43C59 AB5C43D59 251.71 7.06 -7.87 -0.63 0
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319528 126656540 1 ON2H26C37 AB2C26D37 179.18 2.12 -7.85 -0.62 0
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319529 126656545 1 ON2H46C53 AB2C46D53 212.05 3.35 -7.6 -0.41 0
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319530 126656548 1 ON2H30C45 AB2C30D45 174.3 3.46 -7.83 -0.51 0
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319533 126656560 1 ON6H30C49 AB6C30D49 264.12 2.08 -8.43 -1.2 0
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319534 126656564 1 ON3H33C54 AB3C33D54 222.72 5.19 -8.04 -0.57 0
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319536 126656575 1 ON3H35C54 AB3C35D54 222.57 1.45 -7.82 -0.77 0
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319538 126656580 1 ON2H38C58 AB2C38D58 212.76 2.41 -7.96 -0.66 0
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319539 126656581 1 NC12H27 AB12C27 -57.4 1.24 -8.6 3.15 0
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319541 126656585 1 ON3H37C48 AB3C37D48 184.04 1.75 -8.12 -0.85 0
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319542 126656586 1 ON3H33C47 AB3C33D47 194.54 1.96 -8.36 -0.98 0
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319543 126656587 1 ON3H33C49 AB3C33D49 195.37 3.4 -8.18 -0.94 0
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319544 126656588 1 ON2H32C38 AB2C32D38 124.98 2.08 -8.14 -0.43 0
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319546 126656590 1 ON2H34C43 AB2C34D43 150.58 3.8 -7.97 -0.57 0
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319549 126656605 1 BrClOH10C13 ABCD10E13 2.47 2.33 -8.82 -1.16 0
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319551 126656609 1 ON2H32C48 AB2C32D48 186.55 0.34 -8.04 -0.8 0
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319555 126656629 1 ON2H32C43 AB2C32D43 182.74 1.83 -7.8 -0.37 0
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319556 126656630 1 ON2H42C57 AB2C42D57 196.67 2.5 -8.13 -0.7 0
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319558 126656632 1 ON2H38C50 AB2C38D50 165.46 1.0 -8.12 -0.67 0
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319559 126656633 1 ON2H28C42 AB2C28D42 164.8 1.84 -7.95 -0.7 0
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319560 126656634 1 ON2H40C57 AB2C40D57 197.7 3.42 -7.86 -0.64 0
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319561 126656635 1 ON3H27C41 AB3C27D41 285.1 2.67 -8.05 -0.8 0
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319565 126656639 1 SH16C19 AB16C19 69.45 1.73 -8.48 -0.4 0
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319566 126656640 1 ClNOH14C19 ABCD14E19 33.81 2.85 -8.09 -0.53 0
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319567 126656641 1 INH14C22 ABC14D22 114.74 0.33 -8.29 -1.03 0
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319568 126656642 1 FPSO2N4C17H20 ABCD2E4F17G20 -72.55 4.59 -8.42 -0.81 0
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319570 126656648 1 NC28H31 AB28C31 53.64 1.58 -8.26 -0.18 0
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319571 126656659 1 NOC8H15 ABC8D15 -55.04 3.75 -10.37 1.04 0
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319572 126656660 1 NOC8H15 ABC8D15 -54.74 3.86 -10.36 1.11 0
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319573 126656667 1 NH27C33 AB27C33 107.98 1.5 -7.99 -0.36 0
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319574 126656684 1 PN6C18H21 AB6C18D21 97.0 5.4 -8.11 -1.03 0
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319576 126656696 1 PN6C17H19 AB6C17D19 93.46 6.74 -8.25 -0.91 0
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319579 126656699 1 ClPN6C17H18 ABC6D17E18 100.83 4.83 -8.11 -1.19 0
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319582 126656709 1 PSO2N4C18H23 ABC2D4E18F23 -37.38 5.46 -8.23 -0.53 0
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319584 126656717 1 ON5C10H19 AB5C10D19 46.44 2.61 -8.67 -0.52 0
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319586 126656724 1 SN3O6H15C17 AB3C6D15E17 -93.15 5.79 -9.21 -1.71 0
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319587 126656730 2 FSO3C8H11 ABC3D8E11 -349.85 2.46 -9.12 -1.14 0
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319588 126656737 2 NS2O5C9H19 AB2C5D9E19 -466.43 1.41 -9.53 -0.39 0
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319589 126656751 1 NS2O5C9H21 AB2C5D9E21 -233.47 2.91 -9.77 -0.28 0
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319591 126656757 1 NS2H3F4O4C6 AB2C3D4E4F6 -292.35 3.77 -9.55 -2.04 0
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319592 126656759 1 NF2S2O4H5C6 AB2C2D4E5F6 -208.1 1.8 -9.25 -1.68 0
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319593 126656761 1 NS2F6O6H9C10 AB2C6D6E9F10 -505.76 5.35 -8.78 -1.68 0
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319594 126656764 1 NC8H19 AB8C19 -39.36 2.17 -9.25 3.66 0
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319596 126656766 1 NC14H21 AB14C21 9.74 2.29 -8.18 0.56 0
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319597 126656767 1 SF3O3N4H21C22 AB3C3D4E21F22 -193.0 10.83 -9.12 -1.36 0
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319598 126656768 1 SF3N3O4C23H24 AB3C3D4E23F24 -242.28 9.83 -8.77 -1.32 0
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319599 126656769 1 ClFSO2N4C22H22 ABCD2E4F22G22 -30.9 7.44 -9.04 -1.17 0
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319600 126656770 1 NC14H27 AB14C27 -47.07 1.46 -8.63 3.24 0
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319603 126656774 1 FSN4O4C28H33 ABC4D4E28F33 -148.05 8.57 -8.79 -0.82 0
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319605 126656776 1 SF4N4O4C28H30 AB4C4D4E28F30 -296.66 13.13 -9.02 -1.27 0
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319606 126656777 1 SN3F4O4H25C26 AB3C4D4E25F26 -276.05 9.14 -9.06 -1.36 0
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319608 126656780 1 ON2C32H54 AB2C32D54 -58.83 4.44 -8.09 1.81 0
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319609 126656781 2 NC11H20 AB11C20 -10.79 2.91 -8.23 2.22 0
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319611 126656795 1 NC10H11 AB10C11 52.43 0.37 -8.15 0.04 0
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319612 126656796 1 NO5C22H25 AB5C22D25 -166.13 7.55 -8.46 -0.56 0
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319613 126656797 1 SF3N3O3H22C23 AB3C3D3E22F23 -166.39 9.11 -8.85 -1.36 0
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319614 126656802 1 NOC10H21 ABC10D21 -91.66 3.74 -10.2 1.28 0
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319615 126656805 1 NO6C22H23 AB6C22D23 -160.08 3.34 -8.24 -0.91 0
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319616 126656806 1 NO6C22H25 AB6C22D25 -193.38 4.79 -8.3 -0.59 0
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319618 126656810 2 NOC11H15 ABC11D15 -80.06 1.5 -8.14 -0.03 0
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319619 126656811 1 N3O3C25H33 A3B3C25D33 -44.08 4.17 -7.55 -0.34 0
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319621 126656817 1 NSO6C21H23 ABC6D21E23 -189.8 11.8 -8.47 -0.54 0
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319624 126656840 1 NOC13H17 ABC13D17 -20.5 0.67 -8.59 -0.49 0
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319625 126656843 1 O2N4C25H36 A2B4C25D36 -34.88 4.98 -8.26 -0.21 0
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319628 126656865 1 SN5O6C26H31 AB5C6D26E31 -199.8 13.2 -9.37 -1.11 1
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319631 126656870 1 FN2O2C15H17 AB2C2D15E17 -61.01 2.95 -9.85 -0.88 0
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319632 126656873 2 O2H21C28 A2B21C28 53.48 2.5 -8.39 -0.66 0
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319633 126656876 1 OC16H18 AB16C18 78.33 1.29 -8.56 -0.51 0
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319635 126656879 1 SO3N9C25H37 AB3C9D25E37 -71.02 7.44 -8.52 -0.13 0
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319637 126656882 1 FN2O2C13H13 AB2C2D13E13 -49.24 2.6 -10.18 -1.17 0
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319638 126656883 1 FN2O2H9C11 AB2C2D9E11 -42.18 2.94 -10.16 -1.1 0
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319639 126656894 1 FON3C12H12 ABC3D12E12 -1.4 3.08 -9.81 -1.06 0
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319640 126656901 1 NC11H23 AB11C23 -25.21 2.08 -8.46 1.57 0
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319641 126656904 1 NPO2C26H30 ABC2D26E30 -77.66 5.32 -9.49 -0.26 0
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319642 126656907 1 FON2H13C14 ABC2D13E14 -26.17 3.27 -9.8 -1.04 0
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319644 126656909 1 NOSC9H19 ABCD9E19 -90.58 4.43 -8.88 0.29 0
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319645 126656913 1 S2P3N13O28C70H114 A2B3C13D28E70F114 -1419.49 9.09 -9.19 -0.89 0
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319647 126656915 1 NSO2C22H37 ABC2D22E37 -134.17 2.96 -8.56 0.1 0
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319650 126656920 1 N2O4C13H26 A2B4C13D26 -214.36 2.31 -9.82 0.61 0
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319651 126656922 1 NC14H29 AB14C29 -43.08 1.28 -8.63 1.27 0
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319652 126656924 1 NC16H33 AB16C33 -42.98 1.31 -8.33 1.49 0
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319655 126656934 1 N2O3C27H48 A2B3C27D48 -191.19 3.59 -8.28 0.55 0