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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141613 52902655 1 N2O3C14H14 A2B3C14D14 -71.31 5.92 -9.72 -1.14 0
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141614 52902697 1 O3N5C17H21 A3B5C17D21 -42.09 8.83 -9.8 -1.15 1
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141615 52903077 1 O3N5C23H32 A3B5C23D32 -37.24 3.41 0.0 0.0 0
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141616 52903078 1 ClFO2N3H19C21 ABC2D3E19F21 -8.28 6.31 -8.88 -1.35 1
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141617 52903438 1 ClOSN4H22C26 ABCD4E22F26 100.85 9.88 0.0 0.0 1
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141618 52903439 1 SO4N5H22C26 AB4C5D22E26 64.92 6.18 0.0 0.0 -1
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141619 52903440 1 SN4O4H21C28 AB4C4D21E28 78.79 5.63 0.0 0.0 0
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141620 52903441 1 SN4O4H22C28 AB4C4D22E28 43.72 3.91 -8.8 -2.12 0
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141621 52903442 1 ClFON5H15C23 ABCD5E15F23 76.59 4.45 -9.43 -1.61 0
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141622 52903443 1 SO3N4H26C28 AB3C4D26E28 31.72 4.7 -8.39 -1.08 0
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141623 52903444 1 SO3N4H26C28 AB3C4D26E28 37.5 6.69 -8.34 -1.08 0
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141624 52903565 1 N3O3C13H13 A3B3C13D13 -59.69 4.33 -9.33 -1.09 -1
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141625 52903566 1 N3O3H12C13 A3B3C12D13 -3.3 2.79 0.0 0.0 -1
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141626 52903859 1 ClN2O3H8C12 AB2C3D8E12 -58.6 2.27 0.0 0.0 0
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141627 52903860 1 ClN2O3H9C12 AB2C3D9E12 -82.15 4.13 -9.9 -1.65 -1
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141628 52903861 1 SN2O3H7C10 AB2C3D7E10 -44.6 3.21 0.0 0.0 0
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141629 52904533 1 N2O4C21H22 A2B4C21D22 -69.68 5.0 -8.3 -0.78 0
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141630 52904534 1 ClN2O4H19C20 AB2C4D19E20 -71.02 6.35 -8.64 -0.78 0
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141631 52904885 1 BrNO3C10H12 ABC3D10E12 -123.7 2.62 -8.74 -1.1 1
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141632 52905036 1 ON2C17H17 AB2C17D17 26.51 2.41 0.0 0.0 0
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141633 52905037 1 ON2H16C17 AB2C16D17 12.36 4.19 -8.99 -0.2 0
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141634 52905494 1 NO7C26H31 AB7C26D31 -248.44 9.32 -8.54 -0.66 0
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141635 52905863 1 SO3N4C14H18 AB3C4D14E18 -80.51 4.35 -8.72 -1.1 0
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141636 52906074 1 FOSN3C17H20 ABCD3E17F20 -47.62 2.59 -8.64 -0.82 0
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141637 52906075 1 FOSN3H18C21 ABCD3E18F21 9.46 1.13 -8.62 -0.97 0
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141638 52906076 1 ClFOSN4H18C20 ABCDE4F18G20 -4.13 3.12 -8.58 -1.15 0
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141639 52906077 1 FSO2N4C21H21 ABC2D4E21F21 -28.61 1.91 -8.23 -0.98 1
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141640 52906608 1 OSN3C18H24 ABC3D18E24 4.95 4.22 0.0 0.0 0
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141641 52906871 1 ON4C18H20 AB4C18D20 51.74 5.52 -8.78 -0.58 0
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141642 52906872 1 N2O3C18H20 A2B3C18D20 -58.94 1.98 -8.76 -0.99 0
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141643 52906873 1 N2O3C18H20 A2B3C18D20 -40.8 5.74 -8.8 -0.04 0
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141644 52907590 1 ON7C25H31 AB7C25D31 70.73 8.6 -8.27 -0.57 0
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141645 52907669 1 SO2N7C22H23 AB2C7D22E23 56.3 4.66 -8.54 -0.74 0
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141646 52908056 1 FSO2N4H11C14 ABC2D4E11F14 5.24 3.71 -8.92 -0.7 0
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141647 52908157 1 SN2F3O4C10H11 AB2C3D4E10F11 -302.85 2.47 -9.5 -0.98 0
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141648 52908319 1 BrFNOC12H15 ABCDE12F15 -77.6 2.44 -10.26 -0.97 0
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141649 52908543 1 SN3O5C25H27 AB3C5D25E27 -157.42 5.24 -8.58 -0.89 0
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141650 52908700 1 S2O3N4C17H18 A2B3C4D17E18 12.4 5.28 -9.29 -0.77 0
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141651 52908712 1 SN2O3C24H30 AB2C3D24E30 -94.44 3.66 -8.45 -0.37 -1
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141652 52908826 1 S2N3O3C22H24 A2B3C3D22E24 -7.33 3.43 0.0 0.0 0
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141653 52908907 1 O2N3C21H27 A2B3C21D27 -41.23 8.47 -8.34 -0.2 0
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141654 52908908 1 SN2O3C20H24 AB2C3D20E24 -110.95 1.95 -8.98 -0.6 1
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141655 52909394 1 SO2N4C28H33 AB2C4D28E33 -10.52 4.35 0.0 0.0 0
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141656 52909557 1 ClS2N3O5C21H24 AB2C3D5E21F24 -73.87 13.24 -9.01 -0.97 -1
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141657 52909610 1 SO2N4C15H15 AB2C4D15E15 55.1 12.28 0.0 0.0 0
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141658 52909704 3 NOH9C10 ABC9D10 -22.06 8.88 -9.36 -0.99 -1
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141659 52909705 1 N3O3H26C30 A3B3C26D30 25.49 5.55 0.0 0.0 0
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141660 52910018 1 SN4O4C26H30 AB4C4D26E30 -81.99 5.23 -8.32 -0.45 1
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141661 52910236 1 ON4C15H25 AB4C15D25 -17.06 6.64 0.0 0.0 0
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141662 52910584 1 N4O5C27H36 A4B5C27D36 -194.08 5.06 -8.07 -0.37 0
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141663 52910585 1 N4O5C27H36 A4B5C27D36 -191.05 3.06 -8.23 -0.3 1
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141664 52910586 1 SO4N5C25H34 AB4C5D25E34 -127.61 7.48 0.0 0.0 0
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141665 52911239 1 NH2O2Br3C6 AB2C2D3E6 -49.18 2.51 -10.39 -1.85 0
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141666 52911257 1 ClN2C7H9 AB2C7D9 51.66 3.31 -9.06 -0.29 0
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141667 52911385 1 N2O3C14H18 A2B3C14D18 -96.13 1.64 -8.04 -0.09 0
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141668 52911447 1 NO5C25H45 AB5C25D45 -281.13 8.95 -9.07 -0.09 0
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141669 52911705 1 NCl2O4H21C27 AB2C4D21E27 -97.51 0.53 -8.59 -0.63 0
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141670 52911898 1 NOC18H27 ABC18D27 -62.51 1.17 -8.79 0.5 0
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141671 52911899 1 NOC18H27 ABC18D27 -59.56 0.45 -8.93 0.39 0
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141672 52911900 1 NOC17H25 ABC17D25 -52.59 1.39 -8.96 0.38 0
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141673 52911915 2 N3C10H12 A3B10C12 81.25 1.53 -8.22 -0.12 0
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141674 52912023 1 O2N5C21H25 A2B5C21D25 -35.61 6.3 -9.01 -0.81 0
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141675 52912962 1 ClFON3H11C18 ABCD3E11F18 16.48 2.65 -9.1 -0.87 0
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141676 52913522 1 F2N7H19C20 A2B7C19D20 63.84 2.04 -8.64 -0.76 0
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141677 52913858 1 O5C17H22 A5B17C22 -190.35 6.83 -10.14 -0.68 0
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141678 52913998 1 S2N3O3H13C15 A2B3C3D13E15 -24.83 5.21 -8.78 -1.26 0
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141679 52914092 1 N3O3C16H21 A3B3C16D21 -28.93 1.72 -9.11 -0.78 0
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141680 52914682 2 O4C12H17 A4B12C17 -360.72 5.48 -10.39 0.5 0
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141681 52915838 1 NSiO7C30H55 ABC7D30E55 -442.04 5.99 -9.31 0.63 0
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141682 52916189 1 NO3C28H37 AB3C28D37 -131.43 5.08 -8.73 0.19 0
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141683 52916328 2 NO4C15H21 AB4C15D21 -360.77 7.85 -9.65 -0.26 0
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141684 52916475 1 N2O3F5H17C21 A2B3C5D17E21 -325.79 10.49 -9.32 -1.32 0
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141685 52916721 1 NO4C11H17 AB4C11D17 -149.79 3.56 -9.61 -0.57 0
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141686 52916750 1 SCl2O3N4C24H30 AB2C3D4E24F30 -95.12 6.42 -9.0 -0.61 0
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141687 52916770 1 OBr2N5H17C21 AB2C5D17E21 110.3 3.96 -8.47 -1.05 0
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141688 52916867 1 F3O3N4C25H25 A3B3C4D25E25 -230.07 3.32 -8.98 -0.63 0
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141689 52917368 1 SF2N6O8C41H52 AB2C6D8E41F52 -375.17 5.67 -9.52 -1.26 0
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141690 52917485 1 PtCl2O4F6N10H34C38 AB2C4D6E10F34G38 -179.74 6.35 -8.96 -2.45 0
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141691 52917486 1 ClF3N5H15C16 AB3C5D15E16 -90.76 3.15 -8.95 -0.86 0
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141692 52917933 1 O2N6C17H18 A2B6C17D18 31.24 1.8 -9.05 -0.89 0
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141693 52917961 1 SO3N7C28H29 AB3C7D28E29 29.92 5.36 -8.59 -1.02 0
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141694 52918086 1 O19C34H40 A19B34C40 -811.28 2.26 -9.7 -0.62 0
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141695 52918087 1 O3C21H32 A3B21C32 -163.12 3.49 -9.78 0.95 0
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141696 52918088 1 O2C15H22 A2B15C22 -81.31 1.88 -9.31 -0.44 0
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141697 52918089 2 SO2N5C19H22 AB2C5D19E22 29.99 5.57 -8.95 -0.74 0
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141698 52918090 2 OSN5C18H20 ABC5D18E20 102.21 7.35 -9.0 -0.66 0
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141699 52918308 1 ClIPN2O5C17H19 ABCD2E5F17G19 -154.92 3.81 -9.05 -1.3 0
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141700 52918508 1 FN3O4H26C27 AB3C4D26E27 -149.98 5.15 -9.48 -0.97 0
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141701 52918771 1 O3F4N4H22C28 A3B4C4D22E28 -202.81 3.58 -9.57 -1.06 0
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141702 52918871 1 NO3H19C20 AB3C19D20 -35.67 7.41 -9.28 -0.96 0
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141703 52918903 1 O11C48H62 A11B48C62 -402.43 4.99 -8.38 -1.64 0
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141704 52918904 1 O3N11C30H49 A3B11C30D49 -77.15 10.32 -8.65 -0.71 0
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141705 52919241 1 OSN5C16H17 ABC5D16E17 54.27 3.28 -8.76 -0.88 0
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141706 52919544 1 N3O9C26H29 A3B9C26D29 -246.09 5.5 -8.52 -0.88 0
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141707 52919648 1 FN7H22C23 AB7C22D23 81.87 5.68 -8.83 -0.74 0
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141708 52919665 1 O5N9C16H29 A5B9C16D29 -204.71 10.59 -9.03 -0.44 0
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141709 52920177 1 O8C23H28 A8B23C28 -267.58 4.88 -8.4 -0.67 0
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141710 52920178 1 NO6C20H23 AB6C20D23 -182.96 4.36 -9.05 -0.67 0
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141711 52920309 1 F2O3H28C32 A2B3C28D32 -138.72 3.88 -9.04 -0.37 0
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141712 52920618 1 SiO2C15H22 AB2C15D22 -109.89 5.3 -9.53 -0.03 0