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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148877 53788547 2 NC2O2H4 AB2C2D4 -188.39 1.51 -10.52 -0.6 0
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148878 53788548 1 NPO5C19H40 ABC5D19E40 -349.03 1.12 -9.69 0.34 0
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148879 53788549 1 SN2O3C20H28 AB2C3D20E28 -94.41 5.61 -8.28 -0.26 0
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148880 53788550 1 NSO3C7H9 ABC3D7E9 -113.35 5.35 -9.82 -0.69 0
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148881 53788551 1 FON3H14C18 ABC3D14E18 15.36 4.97 -9.24 -0.94 0
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148882 53788552 1 N4O6H18C23 A4B6C18D23 68.92 3.39 -9.34 -2.86 0
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148883 53788553 1 SN3O5C23H45 AB3C5D23E45 -245.83 2.08 -9.55 0.14 0
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148884 53788554 1 N2S2O9C12H22 A2B2C9D12E22 -390.26 5.38 -9.69 -1.77 0
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148885 53788555 1 SN2O4C16H24 AB2C4D16E24 -152.74 7.55 -8.43 -0.08 -2
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148886 53788556 2 SN3O7H24C27 AB3C7D24E27 -268.04 28.02 -7.19 -2.9 0
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148887 53788557 1 S2N4O11H30C33 A2B4C11D30E33 -303.57 7.88 -8.08 -1.97 0
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148888 53788558 1 NSO4C21H31 ABC4D21E31 -195.68 3.5 -9.3 -0.18 0
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148889 53788559 1 NF3C18H20 AB3C18D20 -123.47 2.72 -8.52 -0.52 0
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148890 53788560 1 ClN3O3C22H26 AB3C3D22E26 -62.65 6.3 -8.62 -0.91 0
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148891 53788561 2 NO2C6H12 AB2C6D12 -242.74 1.81 -10.1 0.64 0
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148892 53788562 1 SN3O4C20H21 AB3C4D20E21 -95.88 4.16 -8.6 -0.74 0
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148893 53788563 1 O3H30C32 A3B30C32 -52.09 2.47 -8.43 -0.17 0
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148894 53788564 1 NO2C14H15 AB2C14D15 -23.97 3.18 -9.36 -0.2 0
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148895 53788565 1 ClFNSC9H9 ABCDE9F9 -12.17 2.34 -8.94 -0.66 0
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148896 53788566 1 SN2O3C16H16 AB2C3D16E16 -60.19 5.56 -8.89 -0.7 0
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148897 53788567 1 ClFNC17H17 ABCD17E17 -6.53 2.99 -9.38 -0.12 0
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148898 53788568 1 FO3C11H11 AB3C11D11 -135.38 3.31 -9.49 -0.33 0
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148899 53788569 2 N3C11H11 A3B11C11 158.57 5.69 -8.68 -0.75 0
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148900 53788570 2 N2H6C7 A2B6C7 107.37 1.72 -9.33 -0.94 0
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148901 53788571 1 N2O4C17H18 A2B4C17D18 -127.89 6.72 -9.86 -0.75 0
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148902 53788572 1 NO3C23H27 AB3C23D27 0.13 2.78 -8.68 -1.48 0
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148903 53788573 1 OS2C11H22 AB2C11D22 -64.54 1.34 -8.97 -0.64 0
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148904 53788574 1 S2N3O12H23C25 A2B3C12D23E25 -271.49 4.03 -10.75 -1.85 0
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148905 53788575 34 CH2 AB2 -142.35 0.17 -9.51 1.39 0
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148906 53788576 34 CH2 AB2 -140.35 0.15 -9.48 1.44 0
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148907 53788577 1 I3N3O8C20H28 A3B3C8D20E28 -293.58 6.89 -9.93 -2.13 0
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148908 53788578 1 NO2C10H11 AB2C10D11 -83.72 2.64 -8.6 -0.17 0
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148909 53788579 1 NO3C15H19 AB3C15D19 -55.45 1.97 -9.27 -0.02 0
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148910 53788580 1 N4O6C35H38 A4B6C35D38 -101.95 8.97 -9.21 -1.23 0
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148911 53788581 1 SiO3C15H32 AB3C15D32 -239.8 4.7 -9.2 0.73 0
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148912 53788582 1 NO4C16H21 AB4C16D21 -83.52 8.25 -10.26 -1.66 0
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148913 53788583 1 O7C25H40 A7B25C40 -343.54 7.27 -9.79 0.07 0
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148914 53788584 1 N3C7H15 A3B7C15 35.3 1.43 -8.43 0.68 0
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148915 53788585 1 NO2C14H21 AB2C14D21 -73.65 3.18 -8.6 -0.4 0
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148916 53788586 1 SN3H11C12 AB3C11D12 88.62 5.91 -9.51 -1.02 0
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148917 53788587 1 ClSN4O8C53H65 ABC4D8E53F65 -289.49 6.06 -8.38 -0.72 0
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148918 53788588 1 S2O3N4H20C24 A2B3C4D20E24 46.33 1.42 -9.19 -1.26 0
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148919 53788589 1 O2H16C25 A2B16C25 34.91 1.83 -8.75 -0.62 0
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148920 53788590 1 N2C17H20 A2B17C20 35.87 2.27 -8.42 0.35 0
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148921 53788591 1 ClN4O4C24H29 AB4C4D24E29 -138.42 6.93 -8.24 -0.56 0
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148922 53788592 1 ClC23H27 AB23C27 -0.23 3.79 -8.9 -0.02 0
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148923 53788593 1 OC12H16 AB12C16 -43.07 1.6 -9.4 0.22 0
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148924 53788594 1 NSO2C22H31 ABC2D22E31 -91.43 3.35 -9.36 -0.51 0
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148925 53788595 1 SN5O6C16H19 AB5C6D16E19 -196.64 7.06 -9.52 -1.08 0
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148926 53788596 1 O3N4C19H28 A3B4C19D28 -126.97 10.91 -9.05 -0.79 0
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148927 53788597 1 O5C10H12 A5B10C12 -197.77 3.51 -10.91 -1.7 0
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148928 53788598 1 S2N3O4C17H27 A2B3C4D17E27 -194.86 1.44 -8.81 -0.2 0
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148929 53788599 1 ClFNOC11H11 ABCDE11F11 -71.92 5.31 -8.86 -0.55 0
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148930 53788600 1 NO3C17H23 AB3C17D23 -111.07 2.84 -8.47 0.32 0
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148931 53788601 1 O2N3C9H11 A2B3C9D11 -43.26 5.88 -9.09 -0.63 0
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148932 53788602 1 N4O7C42H54 A4B7C42D54 -280.31 10.51 -9.23 -0.9 0
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148933 53788603 1 S2N7O7C21H23 A2B7C7D21E23 -136.94 10.39 -9.22 -1.1 0
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148934 53788604 1 N2O2F3H11C14 A2B2C3D11E14 -153.04 6.9 -9.09 -1.84 0
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148935 53788605 1 SO2N3C16H21 AB2C3D16E21 -59.01 7.08 -8.71 -0.53 0
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148936 53788606 1 N3O3C27H31 A3B3C27D31 -49.66 6.53 -8.41 -1.32 0
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148937 53788607 1 NCl2O3H15C22 AB2C3D15E22 -50.73 8.72 -9.46 -1.13 0
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148938 53788608 1 NSO5C11H13 ABC5D11E13 -195.05 4.76 -9.05 -0.67 0
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148939 53788609 1 O6C17H24 A6B17C24 -276.53 3.9 -10.8 -0.17 0
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148940 53788610 1 NSiO4C16H27 ABC4D16E27 -192.86 3.68 -8.61 0.03 0
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148941 53788611 1 ClN3O3H26C27 AB3C3D26E27 -35.67 3.76 -8.26 -0.29 0
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148942 53788612 1 BrClON5C22H27 ABCD5E22F27 -3.68 4.0 -8.66 -0.92 0
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148943 53788613 1 N2O7H24C27 A2B7C24D27 -127.96 3.61 -8.34 -0.88 1
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148944 53788614 1 N2O4C33H63 A2B4C33D63 -253.43 4.65 0.0 0.0 0
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148945 53788615 1 F2N2O5C28H34 A2B2C5D28E34 -278.86 5.15 -9.61 -0.36 1
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148946 53788616 1 O5N7C35H44 A5B7C35D44 -82.09 4.13 0.0 0.0 0
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148947 53788617 1 F2N5O7C32H37 A2B5C7D32E37 -266.79 11.49 -8.54 -1.21 0
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148948 53788618 1 Cl2O3N5C31H41 A2B3C5D31E41 -108.81 6.84 -8.26 -0.35 0
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148949 53788619 1 ON7C28H35 AB7C28D35 76.77 3.09 -8.14 -0.64 0
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148950 53788620 1 O2H12C19 A2B12C19 25.81 2.93 -9.38 -1.1 0
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148951 53788621 1 N3O4C10H19 A3B4C10D19 -150.65 4.04 -9.72 -0.05 0
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148952 53788622 1 SN4C17H24 AB4C17D24 85.93 2.9 -9.08 -0.51 0
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148953 53788623 1 SN3O4C25H31 AB3C4D25E31 -83.87 2.87 -8.53 -1.37 0
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148954 53788624 1 O5C8H16 A5B8C16 -226.35 2.87 -9.87 1.44 0
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148955 53788625 1 BrOC21H33 ABC21D33 -56.53 1.68 -8.72 -0.16 1
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148956 53788626 1 NSO7C27H58 ABC7D27E58 -375.69 3.32 0.0 0.0 0
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148957 53788627 1 ClSO3N4H23C25 ABC3D4E23F25 -55.91 3.21 -9.25 -1.2 0
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148958 53788628 1 N2O2C19H38 A2B2C19D38 -145.06 2.46 -8.55 0.61 0
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148959 53788629 1 ClO4C20H35 AB4C20D35 -243.67 3.83 -9.5 0.05 0
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148960 53788630 2 OC6H10 AB6C10 -58.13 2.27 -9.91 0.89 0
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148961 53788631 1 OSCl3N3H14C19 ABC3D3E14F19 55.36 4.15 -8.97 -1.31 0
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148962 53788632 1 P2O8C25H34 A2B8C25D34 -437.36 6.4 -9.11 -0.43 0
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148963 53788633 1 SiN2O3C8H22 AB2C3D8E22 -222.64 4.86 -7.96 0.57 1
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148964 53788634 1 NC16H28 AB16C28 21.58 1.45 0.0 0.0 0
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148965 53788636 1 FPN3O4C18H21 ABC3D4E18F21 -189.21 6.98 -8.32 -0.89 0
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148966 53788637 1 NO8C18H29 AB8C18D29 -369.73 4.55 -9.25 -0.21 0
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148967 53788638 1 NO2S2F5H12C13 AB2C2D5E12F13 -307.3 3.66 -10.11 -2.24 0
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148968 53788639 1 Cl2N2F3H5C7 A2B2C3D5E7 -105.06 4.91 -10.08 -1.06 0
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148969 53788640 1 N2O7C22H30 A2B7C22D30 -221.4 10.69 -9.62 -1.46 0
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148970 53788641 1 SN3O5C15H19 AB3C5D15E19 -188.78 5.1 -9.41 -0.68 0
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148971 53788642 1 O2N3H21C24 A2B3C21D24 7.99 2.62 -8.63 -0.78 0
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148972 53788643 1 SN4O6C22H26 AB4C6D22E26 -140.34 7.44 -8.98 -1.09 0
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148973 53788644 1 SCl2O3C16H16 AB2C3D16E16 -104.15 3.47 -8.7 -0.75 0
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148974 53788645 1 NCl2O2C21H23 AB2C2D21E23 -94.97 4.07 -9.3 -0.29 0
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148975 53788646 1 NCl2O2C21H23 AB2C2D21E23 -94.63 4.88 -9.29 -0.26 0
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148976 53788647 1 NCl2O2C21H23 AB2C2D21E23 -96.33 4.28 -9.31 -0.32 0