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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381671 134972469 1 O3C31H42 A3B31C42 -108.13 5.6 -8.83 -0.88 0
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381672 134972470 1 N2O2H18C23 A2B2C18D23 39.27 2.02 -8.11 -1.69 0
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381673 134972472 1 IN2C12H13 AB2C12D13 71.15 5.26 -9.14 -1.18 0
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381674 134972473 1 IPdN2H9C10 ABC2D9E10 126.67 4.96 -7.28 -1.17 0
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381675 134972474 1 IN2C10H11 AB2C10D11 72.94 5.56 -9.31 -1.37 0
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381676 134972475 1 SN2O4C15H16 AB2C4D15E16 -85.32 4.05 -8.88 -0.66 0
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381677 134972476 1 OS2N3H17C19 AB2C3D17E19 58.01 5.18 -8.27 -1.14 -1
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381678 134972477 1 O6C13H21 A6B13C21 -220.65 2.3 0.0 0.0 0
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381679 134972478 1 O6C13H22 A6B13C22 -248.2 3.93 -9.97 0.31 0
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381680 134972479 1 SiN2O5C24H38 AB2C5D24E38 -240.14 7.75 -8.73 -0.87 0
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381681 134972480 1 SiN2O5C20H30 AB2C5D20E30 -211.91 6.21 -8.9 -0.82 0
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381682 134972481 1 SiN3O3C14H27 AB3C3D14E27 -125.72 3.35 -8.87 -0.32 0
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381683 134972482 1 Si2N5O8C34H57 A2B5C8D34E57 -406.32 2.32 -8.8 -0.7 0
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381684 134972483 1 SiN2O5C19H28 AB2C5D19E28 -215.98 5.61 -8.86 -0.59 0
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381685 134972484 1 ON2H12C16 AB2C12D16 25.04 1.7 -8.92 -1.05 0
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381686 134972485 1 Li2O3H4C6 A2B3C4D6 -143.18 10.38 -7.75 1.23 0
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381687 134972486 2 SN3F6C16H16 AB3C6D16E16 -551.81 3.51 -9.04 -1.78 0
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381688 134972487 1 NO2C13H23 AB2C13D23 -83.07 2.5 -9.36 1.17 0
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381689 134972490 1 N2O5C17H20 A2B5C17D20 -118.9 6.56 -9.13 -1.36 0
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381690 134972493 1 SO6C21H26 AB6C21D26 -203.39 4.55 -9.21 0.02 1
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381692 134972496 3 O2C5H6 A2B5C6 -248.62 4.82 -9.98 -0.78 0
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381693 134972497 1 NCl3O5C29H30 AB3C5D29E30 -126.14 7.35 -9.26 -0.22 0
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381694 134972498 1 NCl3O11C44H46 AB3C11D44E46 -363.38 8.4 -9.29 -0.74 0
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381695 134972500 1 NO4C17H21 AB4C17D21 -153.03 4.97 -9.12 -0.68 0
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381696 134972501 1 O5C9H14 A5B9C14 -171.27 2.95 -10.24 0.5 0
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381697 134972502 1 N5C17H23 A5B17C23 84.06 3.03 -8.75 -0.43 0
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381698 134972503 1 Cl2N2O5C22H22 A2B2C5D22E22 -153.4 3.71 -9.53 -1.23 0
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381699 134972504 1 N2S2O5C18H20 A2B2C5D18E20 -125.63 6.05 -9.11 -1.23 0
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381701 134972507 1 O7C21H26 A7B21C26 -249.51 6.34 -9.2 -0.24 0
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381702 134972508 2 NO2C8H12 AB2C8D12 -144.05 0.79 -8.93 -0.5 0
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381703 134972509 1 NO3C31H37 AB3C31D37 -75.03 5.08 -8.92 0.08 0
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381704 134972510 1 Cl2C9H10 A2B9C10 40.89 2.52 -10.07 0.45 0
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381705 134972511 1 H16C19 A16B19 91.82 0.84 -8.7 -0.5 0
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381707 134972515 1 PO2C22H35 AB2C22D35 -106.88 1.44 -8.43 0.3 0
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381708 134972516 1 ClN2H7C10 AB2C7D10 62.61 3.8 -8.92 -0.8 0
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381709 134972517 1 ClN2H7C10 AB2C7D10 65.51 5.78 -8.85 -0.71 0
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381710 134972521 1 NSO3H19C23 ABC3D19E23 -31.44 4.54 -8.8 -0.63 0
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381711 134972522 1 NSO3H17C19 ABC3D17E19 -44.54 4.45 -9.19 -0.82 0
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381712 134972523 1 SN2O5H18C23 AB2C5D18E23 -38.07 10.72 -9.09 -1.15 0
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381713 134972524 1 SN2O5H16C19 AB2C5D16E19 -52.2 2.4 -9.61 -1.48 0
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381715 134972526 1 SiO4C39H42 AB4C39D42 -115.21 2.06 -8.91 -0.1 0
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381716 134972527 1 SiO4C39H42 AB4C39D42 -113.47 4.21 -8.88 -0.18 0
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381717 134972529 1 SiN2O5C20H32 AB2C5D20E32 -254.96 5.98 -8.87 -0.7 0
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381718 134972531 1 O3C11H18 A3B11C18 -157.19 4.21 -10.6 0.08 0
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381719 134972532 1 O2C9H16 A2B9C16 -93.91 2.24 -9.82 0.12 0
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381720 134972533 1 O3C15H20 A3B15C20 -107.69 1.25 -9.47 0.22 0
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381721 134972534 1 SiO3C18H30 AB3C18D30 -168.94 1.19 -8.97 0.27 0
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381722 134972535 1 NO3C20H25 AB3C20D25 -88.71 1.1 -9.2 0.15 0
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381723 134972536 1 O5C14H18 A5B14C18 -197.08 1.56 -9.54 -0.34 0
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381724 134972537 1 NOC18H31 ABC18D31 -95.55 2.56 -8.84 2.79 0
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381727 134972540 1 NC15H23 AB15C23 -4.25 1.75 -8.53 0.51 0
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381728 134972543 1 NO2C18H27 AB2C18D27 -99.66 1.99 -9.37 0.38 0
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381729 134972544 1 SiO2C22H36 AB2C22D36 -152.26 1.36 -8.04 0.23 0
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381731 134972548 1 OSC22H28 ABC22D28 -5.58 6.26 -7.34 0.6 0
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381732 134972550 1 NSnO4C29H51 ABC4D29E51 -207.26 3.84 -9.18 -0.01 0
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381733 134972551 1 OSnC19H38 ABC19D38 -78.78 3.22 -9.35 0.13 0
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381734 134972552 1 N2O4C17H22 A2B4C17D22 -121.64 1.41 -9.12 -0.46 0
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381735 134972553 1 N3O4H25C26 A3B4C25D26 -42.96 3.86 -9.12 -0.96 0
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381736 134972554 1 BrOH13C15 ABC13D15 18.09 1.81 -9.23 -0.34 0
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381737 134972555 1 ClNO5C29H30 ABC5D29E30 -178.55 0.84 -8.88 -0.43 0
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381738 134972556 1 ClN2O9C35H47 AB2C9D35E47 -390.27 5.51 -8.79 -0.15 0
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381739 134972557 1 O2S2C7H12 A2B2C7D12 -95.99 3.99 -9.16 -0.37 0
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381740 134972558 2 OC8H14 AB8C14 -135.68 4.0 -9.32 2.46 -1
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381741 134972559 1 OYN2F3H6C8 ABC2D3E6F8 -82.42 3.15 -5.98 -1.04 0
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381742 134972560 3 O2H8C9 A2B8C9 -146.68 5.77 -9.44 -0.69 0
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381743 134972561 1 IN3O6H24C27 AB3C6D24E27 -86.24 3.39 -8.96 -1.56 0
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381744 134972562 1 O4C11H20 A4B11C20 -200.79 3.28 -10.18 0.76 0
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381745 134972564 1 OC14H24 AB14C24 -81.73 4.1 -9.07 0.88 0
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381746 134972565 1 O3C20H28 A3B20C28 -119.01 1.66 -9.08 0.07 0
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381747 134972567 2 OC6H9 AB6C9 -92.61 2.78 -9.52 0.26 0
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381748 134972568 4 OH4C5 AB4C5 -66.74 4.45 -8.79 -0.94 -1
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381749 134972571 1 O3C16H25 A3B16C25 -117.22 6.01 0.0 0.0 0
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381750 134972572 1 O3C16H26 A3B16C26 -171.94 6.1 -9.19 0.65 1
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381751 134972573 3 OC6H11 AB6C11 -175.38 1.39 0.0 0.0 0
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381752 134972574 1 O3C18H32 A3B18C32 -184.34 3.69 -9.68 0.66 1
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381753 134972575 3 OC6H11 AB6C11 -185.7 2.86 0.0 0.0 1
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381754 134972577 1 O2C18H31 A2B18C31 -129.99 3.12 0.0 0.0 0
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381755 134972578 1 SiO4C20H34 AB4C20D34 -220.14 2.26 -8.7 0.25 0
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381756 134972583 1 NO3H15C16 AB3C15D16 -64.5 3.21 -8.47 -0.21 0
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381757 134972584 1 IN3O4C27H28 AB3C4D27E28 5.28 4.15 -8.74 -1.34 -4
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381759 134972587 1 ClON5C13H16 ABC5D13E16 22.48 5.04 -8.96 -0.94 1
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381760 134972588 1 OC7H11 AB7C11 -7.62 2.65 0.0 0.0 0
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381761 134972589 1 ON3F5H12C18 AB3C5D12E18 -153.44 5.52 -8.82 -1.14 0
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381762 134972590 1 SO3C14H14 AB3C14D14 -78.82 1.45 -9.19 -0.99 0
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381763 134972591 1 NOC8H15 ABC8D15 -36.06 3.76 -9.1 1.18 0
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381764 134972592 1 NO5C20H21 AB5C20D21 -101.96 6.46 -9.99 -1.31 0
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381765 134972593 1 ClN2O3H19C20 AB2C3D19E20 -88.74 2.75 -9.43 -0.59 0
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381766 134972594 1 SN2O4C20H22 AB2C4D20E22 -42.74 2.99 -9.09 -0.43 0
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381767 134972595 1 NSO3H21C26 ABC3D21E26 65.04 2.79 -9.14 -0.87 0
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381768 134972596 1 ON2C20H24 AB2C20D24 5.58 6.27 -8.14 -0.16 0
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381769 134972597 1 NS2O5C19H33 AB2C5D19E33 -260.99 7.15 -8.53 0.2 0
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381770 134972598 1 NS2O6C21H37 AB2C6D21E37 -332.69 3.09 -8.68 0.12 0
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381771 134972599 1 NS2O6C22H39 AB2C6D22E39 -328.6 3.49 -8.35 0.26 0
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381772 134972600 1 SiO2C29H38 AB2C29D38 -96.79 3.21 -8.87 0.21 0
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381773 134972601 1 PO8C16H17 AB8C16D17 -301.37 5.36 -9.88 -1.19 0
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381774 134972602 2 C6H7 A6B7 99.74 2.11 -8.38 -0.02 -1
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381775 134972604 1 NOYH4C8 ABCD4E8 67.29 4.28 -5.76 -1.48 0
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381776 134972605 1 CrN2O5H10C15 AB2C5D10E15 11.44 6.34 -7.21 -0.66 0
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381777 134972606 1 CrN2C10H10 AB2C10D10 101.88 6.11 -7.65 -0.7 0
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381778 134972607 1 CrNO6H7C10 ABC6D7E10 -100.76 4.17 -7.68 0.56 0