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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386655 134982445 1 H14C17 A14B17 204.18 0.99 -8.11 -0.57 0
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386656 134982450 1 O2C27H28 A2B27C28 -23.13 0.73 -8.13 0.0 0
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386657 134982451 1 O3C15H16 A3B15C16 -78.47 5.21 -8.73 -0.22 0
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386658 134982452 1 SO2H20C22 AB2C20D22 -16.78 5.56 -9.52 -0.11 0
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386659 134982453 1 SO3H20C23 AB3C20D23 -47.32 4.95 -9.6 -0.58 0
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386660 134982455 1 SO3C19H22 AB3C19D22 -75.75 2.92 -8.38 0.04 0
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386661 134982463 2 OH14C22 AB14C22 116.52 2.99 -8.79 -0.92 0
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386662 134982470 2 C4H5 A4B5 59.18 0.55 -9.09 0.37 0
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386663 134982475 2 O3C9H13 A3B9C13 -267.13 2.08 -9.66 -0.63 0
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386664 134982476 1 OH16C18 AB16C18 33.99 3.13 -9.29 -0.56 0
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386665 134982477 1 OC23H24 AB23C24 11.27 1.42 -9.21 -0.15 0
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386666 134982478 1 OSiC21H38 ABC21D38 -124.7 2.0 -8.69 1.19 0
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386667 134982479 1 NSO3C23H25 ABC3D23E25 -0.67 4.48 -8.74 -0.41 0
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386668 134982480 1 O5C16H18 A5B16C18 -189.02 3.53 -9.27 0.02 0
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386671 134982487 1 N4O5C30H42 A4B5C30D42 -196.97 4.57 -9.04 0.01 0
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386673 134982503 1 SiO3C25H46 AB3C25D46 -217.2 1.73 -8.7 0.41 0
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386674 134982505 1 O2C13H20 A2B13C20 2.58 1.8 -9.23 0.79 0
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386675 134982507 3 C13H20 A13B20 -87.72 0.23 -8.98 0.7 0
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386676 134982508 4 SiC9H12 AB9C12 -52.28 1.1 -8.43 0.17 0
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386677 134982511 7 OC23H38 AB23C38 -592.77 1.96 -8.32 0.31 0
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386678 134982515 1 O5C17H24 A5B17C24 -194.35 1.34 -9.2 -0.11 0
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386679 134982518 4 NO2C23H35 AB2C23D35 -256.87 6.89 -7.6 -2.55 0
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386680 134982520 1 O5C17H24 A5B17C24 -192.38 2.41 -9.22 -0.16 0
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386681 134982521 1 O4C19H28 A4B19C28 -165.07 3.28 -8.9 0.13 0
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386682 134982525 2 NiN4C43H48 AB4C43D48 652.31 12.0 -5.33 -2.16 0
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386683 134982526 2 N4C43H50 A4B43C50 556.61 6.31 -7.0 -1.59 0
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386684 134982530 2 MnPO3C11H11 ABC3D11E11 30.6 2.38 -6.73 -0.84 0
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386685 134982532 2 PC13H13 AB13C13 74.0 0.54 -8.52 -0.1 0
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386686 134982536 1 O3H20C23 A3B20C23 8.37 1.81 -8.44 -0.27 0
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386687 134982540 2 O3C31H36 A3B31C36 342.5 28.71 -5.43 -3.64 0
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386688 134982541 1 PO3C21H25 AB3C21D25 -119.92 4.95 -9.54 -0.15 0
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386690 134982548 1 FeO5C13H14 AB5C13D14 -22.8 3.06 -7.74 0.21 0
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386691 134982549 2 OC5H7 AB5C7 -51.01 1.7 -9.47 0.06 0
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386692 134982554 1 SSi2O8C41H70 AB2C8D41E70 -474.82 5.44 -8.76 -0.65 0
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386693 134982555 1 NSO8C39H53 ABC8D39E53 -337.69 6.58 -9.57 -0.5 0
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386695 134982568 1 ClNH18C22 ABC18D22 59.68 3.59 -8.38 0.0 0
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386696 134982571 2 O2C9H11 A2B9C11 -91.91 5.66 -8.88 -1.11 1
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386697 134982579 1 BrON2C28H28 ABC2D28E28 81.56 3.74 0.0 0.0 0
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386698 134982583 1 OC11H14 AB11C14 -6.01 1.75 -8.96 0.22 0
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386699 134982584 1 OH12C18 AB12C18 75.85 3.69 -9.17 -1.23 0
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386700 134982585 1 NO2H15C17 AB2C15D17 -16.85 3.62 -9.41 -0.9 0
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386701 134982586 1 ClNO5C18H22 ABC5D18E22 -228.16 4.62 -9.59 -0.3 0
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386702 134982591 1 IH13C16 AB13C16 73.22 1.81 -8.98 -0.68 0
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386703 134982594 1 O2H24C25 A2B24C25 -13.94 1.72 -8.13 -0.07 0
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386704 134982601 1 IH17C22 AB17C22 101.59 1.67 -8.99 -0.73 0
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386705 134982609 2 NO3H13C14 AB3C13D14 -64.61 7.99 -8.73 -1.36 0
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386706 134982611 2 FeH8C12 AB8C12 587.51 0.25 -7.7 -1.5 0
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386707 134982618 1 O2H22C27 A2B22C27 -1.3 1.5 -8.39 -0.79 0
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386708 134982629 1 NO4C26H43 AB4C26D43 -212.87 1.18 -8.53 0.64 0
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386709 134982630 1 O4C31H48 A4B31C48 -191.9 4.99 -8.84 0.17 0
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386710 134982640 5 C3H4 A3B4 17.74 1.92 -8.55 0.07 0
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386711 134982645 5 OC6H8 AB6C8 -199.21 7.1 -9.39 0.09 0
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386712 134982654 9 C3H4 A3B4 -25.29 0.47 -8.68 0.71 0
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386713 134982655 2 C9H17 A9B17 -66.13 0.07 -8.68 1.69 0
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386714 134982657 1 NO6C26H47 AB6C26D47 -347.49 1.91 -9.53 0.44 0
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386715 134982658 1 NO3C24H29 AB3C24D29 -84.92 3.66 -8.6 -0.11 0
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386716 134982662 1 NO6C26H47 AB6C26D47 -349.0 2.01 -9.53 0.33 0
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386717 134982674 1 SiO4C26H36 AB4C26D36 -171.38 2.25 -8.94 0.16 0
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386718 134982677 2 SiO2C9H18 AB2C9D18 -281.85 0.94 -8.78 0.58 0
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386719 134982684 1 SO3C17H22 AB3C17D22 -105.42 3.56 -9.66 -0.48 0
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386720 134982685 1 SO3C27H34 AB3C27D34 -87.66 3.14 -8.12 -0.55 0
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386722 134982688 1 N2C15H31 A2B15C31 -0.96 2.46 0.0 0.0 0
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386723 134982693 1 NO4C20H35 AB4C20D35 -217.47 2.63 -9.71 0.07 0
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386724 134982697 1 O2C19H26 A2B19C26 -52.04 1.73 -8.58 0.53 0
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386725 134982699 1 ClNOC11H16 ABCD11E16 -33.17 2.49 -9.06 -0.23 0
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386726 134982700 4 OH5C6 AB5C6 -23.89 4.16 -9.59 -1.13 0
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386727 134982701 1 ClOH15C23 ABC15D23 95.04 4.65 -9.1 -0.87 0
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386728 134982704 1 O5C16H18 A5B16C18 -187.2 3.19 -9.67 -1.25 0
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386729 134982707 1 NO5H15C17 AB5C15D17 -69.72 3.77 -8.79 -1.5 0
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386730 134982713 1 FO6H15C19 AB6C15D19 -214.44 4.34 -8.98 -1.16 0
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386731 134982714 1 IH17C18 AB17C18 63.67 1.94 -8.96 -0.68 0
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386732 134982722 1 ClNOH26C29 ABCD26E29 55.62 4.4 -8.49 -0.12 0
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386733 134982724 1 OSi2C20H38 AB2C20D38 -122.94 1.77 -8.66 0.09 0
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386734 134982726 1 C17H24 A17B24 13.37 0.44 -9.24 0.52 0
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386735 134982728 1 I2N2O4C19H30 A2B2C4D19E30 -157.88 2.95 -9.53 -1.62 0
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386736 134982731 1 OH18C19 AB18C19 54.23 1.33 -8.6 0.17 0
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386737 134982734 1 NO2C20H27 AB2C20D27 -47.31 6.55 -9.26 0.24 0
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386739 134982745 2 OC10H14 AB10C14 -12.72 2.75 -9.19 0.29 0
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386740 134982750 1 CoB2S2C41H55 AB2C2D41E55 78.11 42.27 -10.36 -5.67 0
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386741 134982752 1 NSO4C19H25 ABC4D19E25 -149.62 4.98 -8.94 -0.41 0
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386742 134982758 1 SiO3C24H30 AB3C24D30 -115.53 2.71 -9.06 -0.74 0
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386743 134982760 1 IO2C14H21 AB2C14D21 -62.8 2.79 -8.96 -0.43 0
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386744 134982762 1 C11H16 A11B16 -2.9 1.87 -8.74 0.68 0
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386745 134982764 1 OC10H20 AB10C20 -81.21 1.81 -9.19 1.38 0
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386746 134982771 3 NO3C15H15 AB3C15D15 -68.43 5.97 -8.17 -1.97 0
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386747 134982774 1 O5C16H20 A5B16C20 -140.68 5.94 -9.67 -0.95 0
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386748 134982777 1 NO3C29H31 AB3C29D31 -26.78 1.51 -8.93 -0.32 0
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386749 134982780 2 OH19C25 AB19C25 107.75 3.19 -8.52 -0.48 0
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386750 134982781 2 NH12C14 AB12C14 135.98 1.36 -7.38 -1.1 0
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386751 134982800 1 NOC19H19 ABC19D19 51.67 4.25 -9.43 -0.88 0
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386752 134982803 1 NO3C15H15 AB3C15D15 -75.88 5.7 -9.45 -0.18 0
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386753 134982804 1 NO3C16H17 AB3C16D17 -82.31 3.55 -9.71 -0.08 0
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386754 134982808 1 O3C17H22 A3B17C22 -71.97 1.67 -7.98 0.06 0
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386755 134982812 1 NO7C19H19 AB7C19D19 -145.72 5.02 -8.62 -0.67 0
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386756 134982813 2 H9C14 A9B14 131.58 0.59 -8.66 -0.54 0
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386757 134982817 2 O2H10C13 A2B10C13 -1.04 1.69 -8.87 -0.87 0
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386758 134982818 1 NO2H19C32 AB2C19D32 57.93 4.79 -9.04 -1.54 0
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386759 134982819 2 BrH13C23 AB13C23 193.05 0.4 -8.5 -1.13 0
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386760 134982821 1 NC13H19 AB13C19 33.08 1.31 -8.7 -0.35 0
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386761 134982823 2 NOH8C9 ABC8D9 87.84 9.18 -9.06 -1.38 0