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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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439745 135229565 1 NOH45C66 ABC45D66 218.67 1.24 -8.01 -0.68 1
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439746 135229566 1 NOPC8H13 ABCD8E13 -44.33 7.02 0.0 0.0 0
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439747 135229567 1 OS2N7C31H39 AB2C7D31E39 113.89 5.61 -8.23 -0.92 0
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439748 135229568 1 NC12H15 AB12C15 37.09 2.04 -8.98 0.27 0
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439749 135229569 1 S2N3C14H21 A2B3C14D21 52.72 3.44 -8.45 -1.04 0
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439750 135229570 1 NOSH43C69 ABCD43E69 257.26 2.17 -8.18 -0.71 0
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439751 135229571 1 NO2H41C70 AB2C41D70 243.61 1.85 -8.02 -0.69 0
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439752 135229572 1 NOSH43C69 ABCD43E69 256.66 1.59 -8.05 -0.67 0
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439753 135229573 1 NOH41C63 ABC41D63 228.71 0.66 -8.03 -0.66 0
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439754 135229574 1 NOH41C63 ABC41D63 230.26 1.6 -8.22 -0.7 0
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439755 135229575 1 NOH41C63 ABC41D63 232.1 1.45 -8.19 -0.68 0
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439756 135229576 1 NOH37C57 ABC37D57 206.46 0.96 -8.06 -0.65 0
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439757 135229577 1 NOH33C51 ABC33D51 183.15 0.44 -8.1 -0.67 0
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439758 135229578 1 NO2H43C69 AB2C43D69 228.64 1.33 -7.85 -0.73 0
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439759 135229579 1 NO2H51C82 AB2C51D82 284.53 1.84 -7.97 -0.7 0
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439760 135229580 1 NO2H43C69 AB2C43D69 228.8 1.1 -8.06 -0.65 0
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439761 135229581 1 NO2H51C82 AB2C51D82 287.03 2.18 -8.08 -0.68 0
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439762 135229582 1 NOH59C90 ABC59D90 336.38 0.95 -8.21 -0.53 0
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439763 135229583 1 NOH55C89 ABC55D89 387.24 2.05 -8.21 -0.58 0
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439764 135229584 1 NO2H51C82 AB2C51D82 286.76 2.0 -8.14 -0.68 0
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439765 135229585 1 NO2H51C82 AB2C51D82 288.76 1.54 -8.01 -0.7 0
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439766 135229586 1 NOH55C89 ABC55D89 352.21 0.94 -8.25 -0.66 1
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439767 135229587 1 NOC10H14 ABC10D14 27.85 3.21 0.0 0.0 0
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439768 135229588 1 BrON4C10H13 ABC4D10E13 -7.72 3.43 -8.64 -0.86 0
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439769 135229589 1 SO3N9C39H43 AB3C9D39E43 37.6 1.71 -8.34 -0.78 0
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439770 135229590 1 NOH55C89 ABC55D89 348.88 0.25 -7.96 -0.66 0
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439771 135229591 1 NOH59C90 ABC59D90 337.5 1.25 -8.03 -0.59 0
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439772 135229592 1 NOH55C89 ABC55D89 351.91 1.99 -7.91 -0.61 0
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439773 135229593 1 NOH41C60 ABC41D60 194.59 1.35 -7.86 -0.65 0
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439774 135229594 1 NOH41C60 ABC41D60 197.23 1.93 -7.85 -0.61 0
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439775 135229595 1 SN3C17H27 AB3C17D27 24.3 4.07 -8.45 -0.02 0
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439776 135229596 1 S2N4C15H26 A2B4C15D26 27.33 3.28 -8.43 -0.07 0
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439777 135229597 1 NO2H45C66 AB2C45D66 197.56 2.69 -8.38 -0.65 0
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439778 135229598 1 NO2H45C66 AB2C45D66 197.41 2.21 -8.33 -0.74 0
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439779 135229599 1 NO2H35C57 AB2C35D57 183.5 1.53 -8.01 -0.69 0
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439780 135229600 1 NOSH43C66 ABCD43E66 221.34 1.62 -7.94 -0.72 0
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439781 135229601 1 NOSH43C66 ABCD43E66 225.13 2.09 -8.14 -0.72 0
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439782 135229602 1 NOSH43C66 ABCD43E66 222.98 2.13 -8.04 -0.71 0
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439783 135229603 1 ClFON4H18C21 ABCD4E18F21 14.23 6.62 -8.42 -0.99 0
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439784 135229604 1 NO2H35C57 AB2C35D57 185.09 1.39 -8.1 -0.74 0
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439785 135229605 1 ClOF2N5C32H36 ABC2D5E32F36 -60.47 6.54 -8.36 -0.85 0
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439786 135229606 1 NO2H35C57 AB2C35D57 187.3 2.16 -8.11 -0.66 0
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439787 135229607 1 NOSH35C57 ABCD35E57 210.93 1.57 -8.01 -0.71 0
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439788 135229608 1 ON2H44C64 AB2C44D64 224.85 3.12 -7.77 -0.53 0
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439789 135229609 1 NOH41C63 ABC41D63 232.31 1.31 -8.2 -0.68 0
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439790 135229610 1 NOH41C63 ABC41D63 230.03 1.02 -8.1 -0.72 0
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439791 135229611 1 FNC15H26 ABC15D26 -58.28 0.82 -9.82 0.14 0
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439792 135229612 1 NO2H35C57 AB2C35D57 179.72 1.05 -7.98 -0.7 0
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439793 135229614 1 NO2H35C57 AB2C35D57 183.98 0.76 -7.91 -0.67 0
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439794 135229615 1 NO2H35C57 AB2C35D57 188.91 1.52 -8.42 -0.68 0
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439795 135229616 1 NOH35C55 ABC35D55 204.43 0.86 -8.44 -0.69 0
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439796 135229617 1 ON2H40C61 AB2C40D61 234.64 0.65 -7.93 -0.68 0
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439797 135229618 1 SN2O2H68C112 AB2C2D68E112 410.67 1.22 -7.96 -0.74 0
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439798 135229619 1 ON2H38C57 AB2C38D57 218.88 2.77 -7.83 -0.74 0
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439799 135229620 1 NOH27C45 ABC27D45 162.97 2.28 -8.25 -0.77 0
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439800 135229621 1 ClOF2N7C23H28 ABC2D7E23F28 -27.3 5.58 -8.0 -0.75 0
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439801 135229622 1 ClOF2N7C20H22 ABC2D7E20F22 -24.91 4.63 -8.08 -0.84 0
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439802 135229623 1 NOH31C51 ABC31D51 185.89 2.2 -8.24 -0.73 0
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439803 135229624 1 NOH35C57 ABC35D57 207.55 1.74 -8.13 -0.66 0
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439804 135229631 1 NOH47C73 ABC47D73 265.57 2.1 -7.93 -0.66 0
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439805 135229644 1 ClSC12H23 ABC12D23 -58.11 4.33 -8.88 0.65 0
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439806 135229649 1 NO2H41C70 AB2C41D70 245.15 1.59 -8.3 -0.7 0
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439807 135229650 1 NO2H35C57 AB2C35D57 183.32 1.28 -8.24 -0.72 0
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439808 135229651 1 NOH55C89 ABC55D89 351.62 1.0 -8.09 -0.68 0
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439809 135229652 1 NOH55C89 ABC55D89 350.22 0.63 -7.94 -0.68 0
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439810 135229653 1 NOH55C89 ABC55D89 350.83 0.85 -8.12 -0.67 0
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439811 135229654 1 NOH41C60 ABC41D60 199.06 1.89 -7.91 -0.62 0
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439812 135229655 1 SN2O2H68C112 AB2C2D68E112 412.7 1.85 -8.03 -0.72 0
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439813 135229656 1 ON2H38C57 AB2C38D57 218.89 1.41 -7.99 -0.71 0
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439814 135229657 1 NOH27C45 ABC27D45 163.52 1.53 -8.25 -0.74 0
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439815 135229658 1 NOH35C57 ABC35D57 208.64 1.73 -8.24 -0.66 0
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439816 135229659 1 O2N3H73C116 A2B3C73D116 438.24 0.91 -7.7 -0.86 0
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439817 135229660 1 NOH31C51 ABC31D51 185.51 1.33 -8.22 -0.71 0
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439818 135229661 1 NO2H43C70 AB2C43D70 251.39 1.69 -8.16 -0.77 0
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439819 135229662 1 NO2H43C70 AB2C43D70 239.78 1.71 -8.04 -0.73 0
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439820 135229663 1 NO2H43C70 AB2C43D70 242.79 1.81 -8.14 -0.75 0
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439821 135229664 1 NO2H39C63 AB2C39D63 203.36 1.53 -8.04 -0.68 0
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439822 135229665 1 NO2H39C63 AB2C39D63 204.64 2.16 -8.06 -0.68 0
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439823 135229666 1 NO2H39C63 AB2C39D63 202.84 1.25 -8.06 -0.68 0
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439824 135229667 1 NO2H41C63 AB2C41D63 222.91 3.41 -8.15 -0.55 0
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439825 135229668 1 NOH41C60 ABC41D60 194.11 1.1 -7.81 -0.66 0
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439826 135229669 1 NOH41C60 ABC41D60 195.09 2.11 -7.89 -0.62 0
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439827 135229670 1 NOH41C60 ABC41D60 193.58 0.73 -7.83 -0.7 0
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439828 135229671 1 NOH47C73 ABC47D73 260.5 0.95 -8.08 -0.68 0
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439829 135229672 1 NC14H23 AB14C23 19.56 2.15 -8.65 0.49 0
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439830 135229673 2 NC5H7 AB5C7 108.91 3.22 -8.65 -0.03 0
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439831 135229674 1 NO2H51C82 AB2C51D82 284.24 1.43 -7.96 -0.68 0
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439832 135229675 1 NO2H51C82 AB2C51D82 286.36 1.45 -8.03 -0.77 0
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439833 135229676 1 NO2H51C82 AB2C51D82 284.52 1.41 -8.02 -0.74 0
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439834 135229677 1 NOH59C90 ABC59D90 335.96 0.88 -8.06 -0.61 0
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439835 135229678 1 NOH55C89 ABC55D89 349.31 0.21 -8.0 -0.68 0
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439836 135229679 1 NO2C14H25 AB2C14D25 -123.52 5.89 -8.78 0.13 0
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439837 135229680 1 NOH55C89 ABC55D89 413.71 2.21 -8.13 -0.58 0
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439838 135229681 1 NOSH43C66 ABCD43E66 223.76 2.95 -7.88 -0.62 0
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439839 135229682 1 NOSH43C66 ABCD43E66 226.01 2.0 -8.17 -0.69 0
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439840 135229683 1 NOSH43C66 ABCD43E66 222.98 1.38 -8.06 -0.69 0
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439841 135229684 1 NO2H43C66 AB2C43D66 193.78 0.7 -7.8 -0.67 0
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439842 135229685 1 NO2H43C66 AB2C43D66 196.9 1.82 -8.13 -0.74 0
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439843 135229686 1 NOH45C63 ABC45D63 183.99 1.07 -7.82 -0.64 0
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439844 135229687 1 NOH45C63 ABC45D63 185.99 1.34 -8.07 -0.7 0