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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390520 134999539 1 SiO2C16H30 AB2C16D30 -163.23 3.12 -8.54 0.73 0
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390521 134999540 1 O3C15H26 A3B15C26 -148.73 4.12 -10.15 0.77 0
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390522 134999544 1 SiO2C17H28 AB2C17D28 -101.23 1.35 -9.29 0.3 0
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390523 134999545 1 SiO2C20H34 AB2C20D34 -135.65 1.36 -8.83 0.14 0
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390524 134999546 1 OC18H20 AB18C20 13.38 1.39 -9.16 0.32 0
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390525 134999549 1 ON2C13H18 AB2C13D18 -4.05 2.74 -9.1 0.35 0
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390526 134999557 2 OC8H8 AB8C8 -30.14 2.27 -9.27 -0.12 0
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390527 134999559 1 OF3C16H21 AB3C16D21 -203.81 5.36 -10.02 -0.5 0
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390528 134999561 1 OC19H20 AB19C20 -12.1 4.46 -8.65 -0.32 0
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390529 134999567 1 N2F3H9C14 A2B3C9D14 -36.8 1.9 -9.35 -0.68 2
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390531 134999575 1 INPdO6C14H28 ABCD6E14F28 -302.35 4.26 -7.82 -0.84 0
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390532 134999582 1 OC24H24 AB24C24 24.34 3.08 -8.58 0.09 0
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390533 134999592 1 SiO2C19H32 AB2C19D32 -147.37 1.69 -8.79 0.02 0
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390534 134999596 1 OC15H28 AB15C28 -82.34 1.66 -8.75 1.2 0
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390535 134999597 1 NSO2C19H21 ABC2D19E21 -12.46 4.49 -9.14 -0.59 0
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390536 134999617 1 ClNSO3C15H16 ABCD3E15F16 -103.08 3.89 -8.98 -0.46 0
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390537 134999619 1 NO4C11H13 AB4C11D13 -66.83 6.49 -9.2 -0.34 0
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390538 134999629 1 NO2C20H29 AB2C20D29 -63.59 2.42 -8.81 0.53 0
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390539 134999635 1 NOSC17H25 ABCD17E25 1.02 4.17 -8.1 -0.09 0
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390540 134999637 1 OSF3N3H8C12 ABC3D3E8F12 -125.81 8.92 -9.55 -1.64 0
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390542 134999639 1 NO5C27H29 AB5C27D29 -128.6 7.31 -9.28 -0.8 0
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390543 134999646 1 NOSC14H17 ABCD14E17 -17.3 3.09 -9.25 -0.46 0
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390544 134999647 1 NO5C13H15 AB5C13D15 -144.92 6.44 -8.95 -0.48 0
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390545 134999651 1 NNaSO4H8C9 ABCD4E8F9 -160.63 10.07 -9.54 -0.96 0
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390546 134999652 1 NSO4C9H9 ABC4D9E9 -97.33 3.05 -9.42 -0.83 0
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390547 134999653 1 ClSN2O5H13C18 ABC2D5E13F18 -71.35 2.32 -8.96 -1.74 0
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390548 134999654 1 TeH16C18 AB16C18 96.05 1.7 -7.95 -0.63 0
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390549 134999673 1 O4C19H26 A4B19C26 -174.44 1.92 -10.08 -0.62 0
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390550 134999678 1 NO2C18H27 AB2C18D27 -88.24 3.51 -7.95 0.52 0
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390551 134999682 1 FNSO3C15H16 ABCD3E15F16 -139.75 3.35 -8.77 -0.32 0
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390552 134999683 1 PO4C17H27 AB4C17D27 -235.89 5.13 -10.1 -0.52 0
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390553 134999687 1 NSO6C25H25 ABC6D25E25 -127.56 4.36 -9.2 -1.14 0
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390554 134999688 1 NOC23H29 ABC23D29 -2.32 2.71 -8.8 0.04 0
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390555 134999689 1 N5H15C18 A5B15C18 152.4 5.31 -8.85 -0.83 0
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390556 134999690 1 O3C19H26 A3B19C26 -51.79 3.57 -8.72 -0.51 0
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390557 134999693 1 OSiN2C17H30 ABC2D17E30 -64.23 2.62 -8.33 0.42 0
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390558 134999695 1 NSH7C9 ABC7D9 96.14 4.8 -8.34 -0.85 1
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390559 134999696 1 NSH8C9 ABC8D9 90.07 2.67 0.0 0.0 0
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390560 134999701 1 NOC16H23 ABC16D23 -34.31 3.5 -9.48 0.28 0
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390561 134999713 2 OC6H8 AB6C8 -66.18 3.56 -9.23 0.5 0
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390562 134999716 1 NO4H29C32 AB4C29D32 -65.0 1.63 -8.35 -0.13 0
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390563 134999717 1 BrN2C15H17 AB2C15D17 37.99 1.97 -8.72 -0.1 0
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390564 134999718 1 N2C21H22 A2B21C22 59.67 2.3 -8.66 -0.06 0
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390565 134999734 1 O2N3C16H17 A2B3C16D17 -6.69 2.22 -9.73 -1.34 0
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390566 134999738 1 N2O4C21H24 A2B4C21D24 -59.17 2.14 -8.64 -0.86 0
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390567 134999739 1 O5C20H26 A5B20C26 -208.2 1.6 -8.57 0.31 0
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390568 134999753 1 BrSO6C18H25 ABC6D18E25 -259.38 6.78 -9.42 -0.11 0
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390569 134999754 1 FO4H9C11 AB4C9D11 -135.78 1.09 -10.02 -1.04 0
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390570 134999758 1 ClO5C17H21 AB5C17D21 -224.06 2.54 -10.02 -1.01 0
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390571 134999761 1 NO2C25H35 AB2C25D35 -83.69 2.12 -8.66 0.33 0
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390572 134999764 3 OC4H8 AB4C8 -118.83 2.94 -9.46 0.03 0
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390573 134999776 1 SN2O12C17H30 AB2C12D17E30 -555.71 4.29 -9.39 0.02 0
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390574 134999786 1 N2O2Se2H22C23 A2B2C2D22E23 17.99 7.55 -7.95 -1.82 0
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390575 134999795 1 OSiC13H20 ABC13D20 -60.47 1.09 -8.35 0.24 0
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390576 134999800 1 FOH13C15 ABC13D15 -32.03 1.34 -9.42 -0.25 0
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390577 134999802 1 SN2O2C22H22 AB2C2D22E22 -16.01 8.18 -8.51 -0.63 0
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390578 134999807 1 N2O2C19H28 A2B2C19D28 -85.1 2.98 -8.98 0.16 0
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390579 134999808 1 N2H22C23 A2B22C23 87.06 4.62 -8.03 -0.26 0
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390580 134999812 1 SiO3C15H24 AB3C15D24 -161.18 2.28 -9.17 0.15 0
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390581 134999814 1 SiO2C24H42 AB2C24D42 -157.02 2.2 -9.08 0.4 0
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390582 134999817 1 OH22C23 AB22C23 31.9 2.58 -8.89 0.02 0
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390583 134999823 1 N3O4H17C21 A3B4C17D21 -76.32 6.12 -9.28 -0.79 0
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390584 134999829 2 NO2C7H8 AB2C7D8 -54.48 3.24 -8.76 -1.74 0
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390585 134999830 1 NO2F3C11H12 AB2C3D11E12 -237.41 2.92 -10.37 -0.86 0
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390586 134999837 3 FOC3H5 ABC3D5 -291.39 3.84 -11.2 0.6 0
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390587 134999846 1 BrF3O3H8C10 AB3C3D8E10 -235.22 3.92 -9.99 -0.69 0
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390588 134999852 2 NOC8H12 ABC8D12 -42.23 2.51 -8.36 0.39 0
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390589 134999860 1 FSN3O5H22C24 ABC3D5E22F24 -95.28 3.9 -9.36 -1.02 0
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390590 134999861 1 C19H22 A19B22 35.74 0.63 -9.16 0.42 0
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390591 134999864 1 NSC14H19 ABC14D19 9.8 2.15 -8.19 0.37 0
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390592 134999866 1 SN3C14H19 AB3C14D19 41.86 2.37 -8.53 -0.03 0
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390593 134999868 1 SN2O5F6C14H14 AB2C5D6E14F14 -401.82 10.33 -10.48 -2.08 0
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390594 134999890 2 SC11H13 AB11C13 55.94 0.88 -8.51 -0.06 0
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390595 134999894 1 ClOH15C16 ABC15D16 3.32 3.35 -9.55 -0.22 0
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390596 134999905 1 OSiC17H22 ABC17D22 -39.2 1.86 -8.99 0.17 0
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390597 134999911 1 NOSC24H29 ABCD24E29 1.58 2.32 -8.15 -0.15 0
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390598 134999918 2 OC11H18 AB11C18 -136.84 2.5 -9.67 -0.39 0
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390599 134999919 1 OCl2H16C19 AB2C16D19 -9.81 1.45 -9.48 -0.34 0
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390600 134999921 1 SiO4C21H32 AB4C21D32 -214.73 2.16 -8.82 0.27 0
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390601 134999927 1 BSiO3C24H33 ABC3D24E33 -192.15 2.99 -8.34 0.39 0
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390602 134999932 1 BSiO3C19H37 ABC3D19E37 -283.19 3.44 -8.67 0.57 0
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390603 134999947 1 BSiO2C13H27 ABC2D13E27 -214.14 2.41 -8.97 1.75 0
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390604 134999950 2 OC6H8 AB6C8 -69.07 1.09 -9.14 -0.04 0
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390605 134999952 1 O3C18H32 A3B18C32 -178.47 2.33 -9.96 -0.19 0
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390606 134999961 1 NOSiC19H37 ABCD19E37 -126.98 1.54 -8.4 1.12 0
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390607 134999965 2 PN2O6H18C23 AB2C6D18E23 -368.55 7.05 -9.32 -0.9 0
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390608 134999972 1 O4C13H20 A4B13C20 -196.11 4.89 -10.04 0.12 0
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390609 134999975 1 NO3C13H15 AB3C13D15 -79.5 1.3 -9.74 -0.25 0
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390610 134999978 1 O5H16C17 A5B16C17 -91.14 4.49 -9.67 -0.65 0
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390611 134999981 1 ON4C13H16 AB4C13D16 52.08 7.1 -10.23 -0.9 0
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390612 134999984 1 NSO3C11H19 ABC3D11E19 -163.44 3.55 -9.0 -0.08 0
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390613 134999987 1 NSO3C15H19 ABC3D15E19 -120.59 3.61 -8.8 -0.08 0
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390614 134999993 1 O4N5C23H29 A4B5C23D29 -108.65 4.75 -9.26 -0.85 0
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390615 134999994 2 O3C10H18 A3B10C18 -328.92 2.34 -9.88 0.4 0
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390616 135000004 1 NSSiO7C24H35 ABCD7E24F35 -335.75 1.59 -8.9 -0.27 0
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390617 135000005 1 SN3O3H11C13 AB3C3D11E13 -47.84 8.01 -9.46 -1.54 0
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390618 135000027 1 NSeBr2I2H9C15 ABC2D2E9F15 179.17 2.73 -8.9 -3.97 1
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390619 135000031 1 N2Se2O4H17C21 A2B2C4D17E21 -61.87 3.8 0.0 0.0 0
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390620 135000032 1 SN2Se2O8H22C23 AB2C2D8E22F23 -226.34 5.42 -7.92 -1.18 0
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390621 135000038 1 NSC4H5 ABC4D5 62.34 4.33 -8.6 -1.24 0