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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90906 49972511 1 FO5N6C41H51 AB5C6D41E51 -236.45 12.26 -8.76 -0.61 0
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90907 49972515 1 FO5N6C40H49 AB5C6D40E49 -236.91 8.49 -8.75 -0.65 0
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90908 49972516 1 O5N6C38H54 A5B6C38D54 -236.51 8.13 -8.93 -0.25 0
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90909 49972519 1 O5N6C40H56 A5B6C40D56 -228.21 4.98 -8.95 -0.28 0
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90910 49972526 1 O5N6C38H54 A5B6C38D54 -233.55 6.49 -8.85 -0.34 0
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90912 49972528 1 O5N6C40H56 A5B6C40D56 -225.78 11.6 -8.85 -0.61 0
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90913 49972532 1 O5N6C39H54 A5B6C39D54 -228.86 7.45 -8.91 -0.42 0
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90914 49972536 1 O5N6C40H56 A5B6C40D56 -235.41 8.06 -8.75 -0.49 0
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90915 49972537 1 O5N6C41H58 A5B6C41D58 -243.74 6.41 -8.8 -0.49 0
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90916 49972538 1 O5N6C38H54 A5B6C38D54 -231.24 8.49 -9.13 -0.35 0
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90917 49972541 1 ClO5N6C34H45 AB5C6D34E45 -230.02 4.6 -8.79 -0.37 0
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90918 49972542 1 ClO5N6C37H51 AB5C6D37E51 -240.81 7.72 -8.92 -0.45 0
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90919 49972543 1 ClO5N6C39H53 AB5C6D39E53 -232.85 7.77 -8.78 -0.35 0
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90920 49972549 1 ClO5N6C35H47 AB5C6D35E47 -231.3 7.73 -8.65 -0.22 0
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90921 49972551 1 ClO5N6C37H51 AB5C6D37E51 -240.43 6.59 -8.86 -0.41 0
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90922 49972552 1 FO5N6C41H51 AB5C6D41E51 -246.75 6.54 -8.76 -0.68 0
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90923 49972553 1 O5N6C34H46 A5B6C34D46 -211.39 5.85 -9.02 -0.49 0
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90924 49972563 1 O5N6C39H54 A5B6C39D54 -227.87 9.1 -9.05 -0.44 0
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90927 49972566 1 FO5N6C41H51 AB5C6D41E51 -241.89 12.28 -9.03 -0.44 0
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90928 49972567 1 FO5N6C41H51 AB5C6D41E51 -240.86 9.46 -8.88 -0.65 0
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90929 49972568 1 F2O5N6C40H48 A2B5C6D40E48 -283.15 8.7 -8.91 -0.69 0
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90930 49972569 1 O5N6C40H50 A5B6C40D50 -189.93 5.27 -8.69 -0.32 0
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90931 49972570 1 FO5N6C40H49 AB5C6D40E49 -236.4 5.53 -8.89 -0.65 0
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90932 49972571 1 FO5N6C41H51 AB5C6D41E51 -241.66 10.43 -8.68 -0.19 0
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90933 49972573 1 FO5N6C40H49 AB5C6D40E49 -240.92 6.87 -8.96 -0.63 0
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90934 49972580 1 FO5N6C41H51 AB5C6D41E51 -242.07 2.86 -8.89 -0.92 0
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90935 49972581 1 F2O5N6C40H48 A2B5C6D40E48 -278.2 9.38 -8.88 -1.16 0
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90936 49972582 1 O5N6C40H50 A5B6C40D50 -182.8 10.31 -8.82 -1.06 0
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90937 49972583 1 FO5N6C40H49 AB5C6D40E49 -234.12 3.12 -9.01 -0.87 0
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90938 49972584 1 FO5N6C41H51 AB5C6D41E51 -237.12 8.41 -8.72 -0.32 0
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90939 49972585 1 O5N6C41H52 A5B6C41D52 -194.49 3.43 -8.69 -0.34 0
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90940 49972587 1 ClO5N6C39H53 AB5C6D39E53 -239.91 9.45 -8.75 -0.33 0
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90941 49972588 1 ClO5N6C40H49 AB5C6D40E49 -200.08 6.36 -8.51 -0.47 0
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90942 49972589 1 ClO5N6C40H49 AB5C6D40E49 -202.38 4.05 -8.53 -0.49 0
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90943 49972591 1 ClO5N6C39H47 AB5C6D39E47 -187.6 2.7 -8.72 -0.32 0
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90944 49972592 1 ClO5N6C36H49 AB5C6D36E49 -234.32 8.78 -8.65 -0.54 0
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90945 49972593 1 ClO5N6C35H47 AB5C6D35E47 -228.13 6.77 -8.88 -0.45 0
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90946 49972601 1 O5N6C38H54 A5B6C38D54 -230.91 9.02 -9.17 -0.29 0
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90947 49972605 1 F2O5N6C40H48 A2B5C6D40E48 -279.08 10.05 -8.68 -0.96 0
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90948 49972606 1 F2O5N6C40H48 A2B5C6D40E48 -272.5 12.41 -8.98 -0.97 0
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90949 49972611 1 FO5N6C40H49 AB5C6D40E49 -230.46 11.63 -8.82 -0.69 0
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90950 49972612 1 FO5N6C41H51 AB5C6D41E51 -234.82 13.5 -8.72 -0.27 0
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90951 49972620 1 O5N6C39H54 A5B6C39D54 -227.01 4.77 -8.95 -0.18 0
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90952 49972622 2 N3O3C19H26 A3B3C19D26 -253.32 2.6 -9.24 -0.41 0
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90953 49972632 1 ClO5N6C35H47 AB5C6D35E47 -220.89 4.57 -8.77 -0.64 0
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90954 49972633 1 ClO5N6C36H49 AB5C6D36E49 -242.2 6.71 -8.95 -0.76 0
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90955 49972647 1 FO5N6C41H51 AB5C6D41E51 -244.02 13.5 -8.74 -0.79 0
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90956 49972648 1 O5N6C34H46 A5B6C34D46 -218.17 8.77 -8.86 -0.45 0
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90957 49972658 1 O5N6C38H54 A5B6C38D54 -225.2 12.26 -9.02 -0.4 0
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90958 49972680 1 ClN5O5C33H44 AB5C5D33E44 -215.73 6.73 -8.68 -0.7 0
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90960 49972682 1 ClO4N5C32H42 AB4C5D32E42 -179.23 9.38 -8.92 -0.22 0
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90961 49972683 1 O4N5C33H45 A4B5C33D45 -173.32 5.47 -8.92 -0.13 0
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90962 49972684 1 Cl2O4N5C32H41 A2B4C5D32E41 -182.28 9.88 -8.6 -0.87 0
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90963 49972686 1 Cl2O4N5C32H41 A2B4C5D32E41 -181.79 10.48 -8.69 -0.84 0
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90964 49972693 1 O5N6C40H56 A5B6C40D56 -237.66 4.91 -8.67 -0.11 0
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90965 49972694 2 N3O3C19H26 A3B3C19D26 -248.92 8.9 -8.88 -0.34 0
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90966 49972695 1 O5N6C39H54 A5B6C39D54 -229.4 5.44 -8.89 -0.28 0
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90967 49972696 1 O5N6C40H56 A5B6C40D56 -234.62 13.11 -9.11 -0.34 0
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90969 49972701 1 FO5N6C41H51 AB5C6D41E51 -236.62 8.1 -8.77 -0.31 0
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90970 49972703 1 FO5N6C40H49 AB5C6D40E49 -228.78 4.56 -8.94 -0.89 0
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90971 49972707 1 F2O5N6C40H48 A2B5C6D40E48 -278.56 10.51 -8.92 -0.75 0
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90972 49972709 1 FO5N6C41H51 AB5C6D41E51 -248.97 6.41 -8.75 -0.63 0
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90973 49972710 1 O5N6C34H46 A5B6C34D46 -211.07 6.81 -8.77 -0.34 0
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90974 49972711 1 O5N6C36H50 A5B6C36D50 -216.29 8.06 -8.76 -0.32 0
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90975 49972712 1 O5N6C37H52 A5B6C37D52 -239.07 5.78 -8.74 -0.29 0
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90976 49972717 1 ClO5N6C36H49 AB5C6D36E49 -233.28 7.49 -8.78 -0.89 0
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90977 49972720 1 ClO5N6C37H51 AB5C6D37E51 -239.74 5.48 -8.78 -0.86 0
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90978 49972721 1 ClO5N6C37H49 AB5C6D37E49 -227.43 8.81 -8.8 -1.02 0
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90979 49972722 1 ClO5N6C38H51 AB5C6D38E51 -227.84 10.54 -8.91 -0.47 0
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90980 49972724 1 ClN6O6C37H49 AB6C6D37E49 -253.99 6.51 -9.05 -0.87 0
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90981 49972725 1 ClO5N6C38H51 AB5C6D38E51 -234.63 5.52 -8.74 -0.73 0
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90982 49972726 1 O4N5C34H47 A4B5C34D47 -179.77 5.98 -8.75 0.01 0
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90984 49972729 1 N5O5C33H45 A5B5C33D45 -201.67 8.7 -8.85 -0.06 0
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90985 49972730 1 O4N5C34H47 A4B5C34D47 -180.92 6.01 -8.75 -0.06 0
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90986 49972734 1 BrO4N5C32H42 AB4C5D32E42 -163.45 14.16 -8.76 -0.31 0
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90987 49972741 1 FO5N6C41H51 AB5C6D41E51 -241.08 5.93 -8.98 -0.53 0
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90988 49972742 1 FO5N6C41H51 AB5C6D41E51 -244.88 6.87 -8.71 -0.76 0
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90989 49972743 1 F2O5N6C40H48 A2B5C6D40E48 -276.19 4.58 -9.01 -0.64 0
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90990 49972744 1 O5N6C40H50 A5B6C40D50 -184.58 11.49 -8.8 -0.52 0
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90991 49972760 1 O5N6C38H54 A5B6C38D54 -242.95 4.9 -8.51 -0.38 0
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90992 49972770 1 FO5N6C39H47 AB5C6D39E47 -226.29 6.18 -8.28 -0.65 0
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90993 49972774 1 O5N6C40H50 A5B6C40D50 -188.3 9.78 -8.11 -0.24 0
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90994 49972776 1 BrO4N5C32H42 AB4C5D32E42 -157.44 5.93 -8.99 -0.44 0
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90995 49972778 1 BrO4N5C34H46 AB4C5D34E46 -189.2 7.6 -8.93 -0.37 0
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90996 49972780 1 N5O5C34H47 A5B5C34D47 -213.21 10.07 -8.46 0.0 0
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90998 49972785 1 BrO4N5C33H44 AB4C5D33E44 -172.31 8.93 -8.94 -0.27 0
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90999 49972786 1 O4N5C34H47 A4B5C34D47 -177.56 9.41 -8.75 -0.04 0
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91000 49972788 1 O4N5C34H47 A4B5C34D47 -182.84 9.53 -8.41 -0.31 0
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91001 49972797 1 O4N5C35H49 A4B5C35D49 -187.45 7.98 -8.68 -0.03 0
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91002 49972800 1 F2O4N5C32H41 A2B4C5D32E41 -255.49 7.84 -8.76 -0.5 0
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91003 49972801 1 FO5N6C41H51 AB5C6D41E51 -240.04 8.75 -8.9 -0.28 0
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91004 49972807 1 O5N6C40H50 A5B6C40D50 -189.42 8.13 -8.76 -0.3 0
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91005 49972808 1 FO5N6C40H49 AB5C6D40E49 -229.07 4.96 -8.83 -0.69 0
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91006 49972809 1 FO5N6C41H51 AB5C6D41E51 -246.5 7.15 -8.73 -0.28 0
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91007 49972812 1 O5N6C39H48 A5B6C39D48 -174.07 5.39 -8.48 -0.48 0
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91008 49972813 1 FO5N6C39H47 AB5C6D39E47 -228.93 4.23 -8.35 -0.6 0
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91009 49972814 1 FO5N6C39H47 AB5C6D39E47 -228.41 10.08 -8.22 -0.56 0
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91010 49972815 2 N3O3C20H25 A3B3C20D25 -219.81 8.82 -8.41 -0.44 0
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91011 49972816 2 N3O3C20H25 A3B3C20D25 -220.64 4.08 -8.06 -0.47 0
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91012 49972817 1 ClO5N6C39H47 AB5C6D39E47 -191.5 8.1 -8.43 -0.8 0