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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89949 49965575 1 BrO3N4C14H15 AB3C4D14E15 -49.44 9.84 -9.04 -1.02 0
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89950 49965576 1 SO3N4H20C25 AB3C4D20E25 48.87 8.14 -9.18 -1.41 0
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89951 49965577 1 SO2F3N4C17H17 AB2C3D4E17F17 -138.2 8.01 -9.53 -1.79 -1
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89952 49965584 1 FSN3O3C20H21 ABC3D3E20F21 -9.19 6.71 0.0 0.0 0
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89953 49965585 1 SN3O3C20H21 AB3C3D20E21 -28.01 7.47 -9.35 -0.9 0
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89954 49965588 1 N3O3C19H23 A3B3C19D23 -104.05 5.19 -8.58 -0.48 0
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89955 49965589 1 SN3O4C19H23 AB3C4D19E23 -64.91 7.0 -9.44 -1.06 0
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89956 49965592 1 N2S2O7C19H22 A2B2C7D19E22 -217.48 11.1 -8.27 -0.9 1
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89957 49965593 1 SN2O3C18H19 AB2C3D18E19 -53.18 5.47 0.0 0.0 0
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89958 49965596 1 SO4N6H12C17 AB4C6D12E17 26.43 10.24 -8.98 -1.2 0
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89959 49965604 1 N3O8C30H33 A3B8C30D33 -196.55 7.28 -8.28 -0.44 0
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89960 49965607 1 O3N5H13C15 A3B5C13D15 -2.47 3.65 -9.31 -0.42 0
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89961 49965611 1 O6N7H19C21 A6B7C19D21 -18.56 11.17 -9.15 -1.12 0
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89962 49965612 1 N2O5H20C23 A2B5C20D23 -113.44 9.3 -9.44 -0.82 0
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89963 49965621 1 SO4N5H21C25 AB4C5D21E25 -18.95 9.97 -8.08 -1.12 0
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89964 49965626 1 N3O7C30H35 A3B7C30D35 -151.83 5.64 -7.98 -0.14 0
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89965 49965638 2 N2O2H7C8 A2B2C7D8 -60.53 4.9 -8.58 -1.17 0
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89966 49965639 1 SO4N5C22H23 AB4C5D22E23 -63.1 11.52 -7.92 -1.07 0
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89967 49965672 1 N3O9C34H43 A3B9C34D43 -280.06 1.35 -8.76 -1.07 0
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89968 49965677 1 N3O5C40H53 A3B5C40D53 -110.13 4.78 -8.5 -0.66 0
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89969 49965678 1 N3O5C35H51 A3B5C35D51 -134.9 4.78 -8.36 -0.56 0
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89970 49965679 1 N3O5C36H53 A3B5C36D53 -141.9 2.01 -8.3 -0.65 0
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89971 49965681 1 ON3Cl4H17C23 AB3C4D17E23 45.87 7.1 -8.92 -0.58 0
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89972 49965683 1 N3O3C35H37 A3B3C35D37 -4.68 6.33 -8.62 -0.22 0
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89973 49965697 1 ON3Cl4H21C29 AB3C4D21E29 72.08 6.72 -8.9 -0.78 0
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89974 49965699 1 N2O7C33H40 A2B7C33D40 -185.26 1.66 -7.88 -0.15 0
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89975 49965700 1 N3O3C30H35 A3B3C30D35 -36.2 7.37 -8.63 -0.19 0
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89976 49965704 1 ClO3N5H16C20 AB3C5D16E20 -1.59 3.96 -9.29 -1.04 0
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89977 49965705 1 N3S3O4H15C17 A3B3C4D15E17 -103.54 1.79 -8.66 -1.82 0
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89978 49965725 1 FN2S2O3H11C15 AB2C2D3E11F15 -108.72 5.06 -8.95 -1.6 0
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89979 49965726 1 FN2S2O3H11C15 AB2C2D3E11F15 -109.13 3.63 -9.0 -1.67 0
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89980 49965728 1 NO5C31H41 AB5C31D41 -148.41 3.94 -8.24 -0.4 0
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89981 49965731 1 N3O3C31H37 A3B3C31D37 -35.36 3.83 -8.67 -0.26 0
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89982 49965733 1 N4O5C21H24 A4B5C21D24 -110.08 4.06 -8.62 -0.17 0
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89983 49965738 1 FS2N3O4H14C17 AB2C3D4E14F17 -156.57 2.21 -9.17 -1.93 0
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89984 49965739 1 S2N3O6H17C18 A2B3C6D17E18 -180.26 3.98 -8.56 -1.38 0
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89985 49965741 1 S2N4O4H12C17 A2B4C4D12E17 -68.71 3.54 -9.13 -1.84 0
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89986 49965744 1 NO5C32H43 AB5C32D43 -159.21 3.97 -8.35 -0.69 0
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89987 49965745 1 N3O3Cl4H19C25 A3B3C4D19E25 -52.76 7.69 -9.08 -0.96 0
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89988 49965746 1 N3O3H23C25 A3B3C23D25 -15.36 7.22 -9.09 -0.69 0
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89989 49965748 1 N3O7C33H39 A3B7C33D39 -192.63 7.44 -8.28 -0.75 0
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89990 49965752 1 O3N4H22C23 A3B4C22D23 17.58 4.2 -8.18 -0.51 0
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89991 49965754 1 O3N4H20C23 A3B4C20D23 1.57 4.49 -9.1 -0.25 0
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89992 49965755 1 O3N4H18C21 A3B4C18D21 -4.9 4.1 -8.88 -0.47 0
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89993 49965756 1 N4O4C21H22 A4B4C21D22 -69.33 4.3 -8.85 -0.19 0
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89994 49965757 1 BrO2N4H15C16 AB2C4D15E16 29.85 5.55 -8.89 -0.23 0
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89995 49965770 1 N4O7C29H30 A4B7C29D30 -171.78 7.52 -9.12 -0.85 0
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89996 49965771 1 N4O7C37H46 A4B7C37D46 -193.63 8.14 -8.67 -0.44 0
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89997 49965772 1 N4O7C37H46 A4B7C37D46 -169.92 4.93 -8.44 -0.34 0
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89998 49965773 1 N5O7C37H47 A5B7C37D47 -149.91 6.09 -8.44 -0.37 0
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89999 49965775 1 N5O5C37H51 A5B5C37D51 -91.5 6.06 -8.27 -0.56 0
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90000 49965777 1 O3N4C19H22 A3B4C19D22 -19.66 4.42 -8.39 -0.12 0
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90001 49965778 1 O3N4C25H26 A3B4C25D26 5.7 4.81 -8.4 -0.1 0
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90002 49965779 1 O3N4H16C20 A3B4C16D20 3.35 3.86 -8.91 -0.5 0
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90004 49965783 2 NSO2H3C6 ABC2D3E6 -87.57 7.8 -8.61 -1.38 0
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90005 49965785 1 S2N3O4H17C18 A2B3C4D17E18 -118.43 4.41 -8.95 -1.7 0
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90006 49965786 1 NO9C28H33 AB9C28D33 -280.64 4.66 -8.1 -0.71 0
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90007 49965793 1 N5O5C39H55 A5B5C39D55 -99.75 6.34 -8.3 -0.35 0
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90008 49965794 1 N5O5C39H55 A5B5C39D55 -110.1 5.66 -8.21 -0.26 0
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90009 49965795 1 Br2N3O3H21C25 A2B3C3D21E25 -13.19 5.56 -9.31 -1.02 0
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90011 49965805 1 OSN4C26H26 ABC4D26E26 33.62 2.08 -8.2 -0.94 0
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90012 49965811 1 NO8C27H31 AB8C27D31 -234.88 4.09 -7.79 -0.45 0
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90013 49965814 1 N3O7C31H37 A3B7C31D37 -151.37 8.17 -8.48 -0.11 0
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90014 49965818 1 OBr2N3H23C29 AB2C3D23E29 111.95 3.85 -9.13 -0.63 0
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90017 49965824 1 BrN4O4H17C18 AB4C4D17E18 -56.33 5.82 -8.88 -0.26 0
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90018 49965825 1 OSCl2N4H22C25 ABC2D4E22F25 26.58 4.48 -8.38 -1.11 0
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90019 49965830 1 NO5C28H35 AB5C28D35 -130.02 4.2 -8.32 -0.48 0
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90020 49965833 1 OF2N3H23C25 AB2C3D23E25 -25.3 5.15 -9.06 -0.59 0
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90021 49965834 1 F2O2N3H19C24 A2B2C3D19E24 -65.86 9.32 -9.25 -0.86 0
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90022 49965844 1 ClOSN4H23C25 ABCD4E23F25 32.87 4.2 -8.34 -1.06 0
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90023 49965853 1 NO4C27H31 AB4C27D31 -119.93 5.55 -8.56 -0.61 0
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90024 49965858 1 FON4H13C19 ABC4D13E19 57.54 3.9 -9.17 -0.74 0
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90025 49965861 1 SO2N5C24H25 AB2C5D24E25 48.03 4.73 -8.38 -0.1 0
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90026 49965865 1 FOSN4H23C25 ABCD4E23F25 -7.02 2.63 -8.29 -1.07 0
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90027 49965866 1 OSF2N4H20C24 ABC2D4E20F24 -46.51 7.28 -8.58 -1.33 0
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90028 49965870 1 NO3C32H35 AB3C32D35 -41.83 3.97 -8.66 -0.35 0
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90029 49965872 1 N3O9C31H35 A3B9C31D35 -240.1 7.16 -8.58 -0.4 0
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90030 49965875 2 N2O2C9H9 A2B2C9D9 -62.44 5.14 -9.03 -0.11 0
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90031 49965878 1 SO4N5H21C23 AB4C5D21E23 -22.44 4.76 -8.4 -0.18 0
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90032 49965880 1 OSN4C26H26 ABC4D26E26 30.51 3.95 -8.3 -1.04 0
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90033 49965881 1 OSN4C26H26 ABC4D26E26 31.1 3.7 -8.3 -1.06 0
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90034 49965884 1 NO5C30H39 AB5C30D39 -140.36 1.43 -8.38 -0.64 0
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90035 49965886 1 NO3C28H35 AB3C28D35 -80.93 4.26 -8.77 -0.39 0
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90036 49965892 2 ON2C9H10 AB2C9D10 15.41 4.7 -8.92 -0.06 0
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90037 49965898 1 NO3C28H35 AB3C28D35 -81.28 6.13 -8.75 -0.35 0
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90038 49965900 1 Cl2F2O2N3H17C24 A2B2C2D3E17F24 -80.99 4.64 -9.18 -0.82 0
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90039 49965903 1 N3O9C31H35 A3B9C31D35 -247.62 3.73 -8.2 -0.42 0
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90041 49965906 1 ClO3N5H16C17 AB3C5D16E17 41.36 5.05 -9.37 -1.58 0
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90042 49965908 1 O3N5H13C15 A3B5C13D15 -3.05 4.03 -9.32 -0.41 0
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90043 49965910 1 O6N7H21C22 A6B7C21D22 -23.98 8.37 -9.26 -0.91 0
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90045 49965925 4 NOC5H6 ABC5D6 -56.76 3.9 -8.7 -0.03 0
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90046 49965926 1 N2S2O3H14C17 A2B2C3D14E17 -27.96 2.06 -8.85 -1.34 0
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90047 49965933 1 ClSN2O2H15C21 ABC2D2E15F21 32.05 9.21 -9.04 -1.24 0
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90048 49965934 1 ClOSN3H14C19 ABCD3E14F19 72.58 7.99 -9.04 -1.27 0
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90049 49965935 1 ClSO2N3H16C20 ABC2D3E16F20 37.57 7.35 -8.7 -1.28 0
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90050 49965939 1 N2S2O4H16C17 A2B2C4D16E17 -106.37 4.35 -8.94 -1.56 0
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90051 49965962 1 OSN2F3H17C19 ABC2D3E17F19 -127.15 7.68 -8.87 -1.34 0
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90052 49965964 1 FOCl2N4H11C19 ABC2D4E11F19 38.6 4.15 -9.17 -0.82 0
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90053 49965971 1 NO5H21C24 AB5C21D24 -21.45 7.81 -8.47 -0.96 0
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90054 49966013 1 SN4C7H10 AB4C7D10 42.91 7.13 -8.53 -0.53 0