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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81599 49854908 1 FO3N4C17H17 AB3C4D17E17 -56.3 6.97 -8.83 -0.84 0
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81600 49854909 1 O3N4C19H22 A3B4C19D22 -25.75 6.6 -8.49 -0.7 0
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81601 49854910 1 ON2C17H18 AB2C17D18 -4.16 3.74 -8.3 -0.02 0
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81602 49854911 1 ON2C20H20 AB2C20D20 56.32 3.9 -8.07 -0.1 0
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81603 49854912 1 ON2C18H20 AB2C18D20 37.51 2.55 -8.76 -0.58 0
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81604 49854913 1 ON2C20H24 AB2C20D24 26.62 2.22 -8.04 -0.58 0
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81605 49854914 1 FON2C19H21 ABC2D19E21 -50.98 3.87 -8.03 -0.32 0
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81606 49854915 1 ON2F3C19H19 AB2C3D19E19 -165.06 4.6 -8.31 -0.73 0
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81607 49854916 1 ON2C18H20 AB2C18D20 55.78 3.21 -8.26 -0.36 0
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81608 49854917 1 ON2C20H24 AB2C20D24 45.25 2.1 -8.0 -0.18 0
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81609 49854920 1 SO3N6H22C24 AB3C6D22E24 6.65 11.99 -8.72 -1.68 0
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81610 49854921 1 SN3O6C26H27 AB3C6D26E27 -144.85 6.0 -8.19 -0.79 0
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81611 49854922 1 SN4O4C28H28 AB4C4D28E28 -50.66 11.22 -8.07 -1.66 0
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81612 49854923 1 Cl2N3O4C26H31 A2B3C4D26E31 -149.2 5.9 -8.69 -0.48 0
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81613 49854924 1 Cl2N3O4C28H35 A2B3C4D28E35 -160.35 7.31 -8.72 -0.46 0
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81614 49854925 1 Cl2N3O5C28H35 A2B3C5D28E35 -196.02 3.3 -8.72 -0.38 0
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81615 49854926 1 Cl2N3O4C29H37 A2B3C4D29E37 -166.61 5.54 -8.64 -0.51 0
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81616 49854927 1 Cl2N3O4C30H39 A2B3C4D30E39 -171.65 6.91 -8.46 -0.21 0
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81617 49854928 1 N3O6C42H55 A3B6C42D55 -224.2 7.68 -8.41 -0.38 0
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81618 49854929 1 N3O4C43H53 A3B4C43D53 -94.23 2.53 -8.38 -0.2 0
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81619 49854930 1 N3O4C43H51 A3B4C43D51 -14.11 2.18 -8.24 0.02 0
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81620 49854931 1 N3O4C47H55 A3B4C47D55 -32.91 3.21 -8.4 -0.3 0
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81621 49854932 1 OSN10C24H34 ABC10D24E34 47.91 5.55 -8.59 -0.32 0
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81622 49854933 1 OSN8C19H22 ABC8D19E22 68.94 5.76 -8.63 -0.42 0
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81623 49854934 1 OSN8C22H22 ABC8D22E22 88.83 8.19 -8.68 -0.74 0
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81624 49854935 1 OS2N9C25H27 AB2C9D25E27 95.66 5.82 -8.66 -0.86 0
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81625 49854936 1 OSN8C22H22 ABC8D22E22 85.06 3.24 -8.44 -0.73 0
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81626 49854937 1 OS2N9C21H27 AB2C9D21E27 55.04 9.42 -8.69 -0.6 0
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81627 49854938 1 BrSO3N4H19C26 ABC3D4E19F26 14.49 6.58 -9.07 -1.25 0
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81628 49854939 1 BrSO3N4H21C27 ABC3D4E21F27 2.87 8.36 -9.0 -1.16 0
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81629 49854941 1 BrFSO3N4H18C26 ABCD3E4F18G26 -31.05 4.23 -9.17 -1.32 0
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81630 49854942 1 BrSO3N5H20C29 ABC3D5E20F29 43.0 9.51 -8.86 -1.69 0
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81631 49854943 1 N2O5H14C17 A2B5C14D17 -83.49 4.32 -8.55 -1.35 0
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81632 49854944 1 N3O4H15C17 A3B4C15D17 -55.59 5.43 -8.57 -1.23 0
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81633 49854945 2 NO2H8C9 AB2C8D9 -49.94 4.43 -9.0 -1.27 0
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81634 49854947 1 BrON4H17C18 ABC4D17E18 62.04 5.09 -8.31 -0.45 0
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81635 49854948 1 O2N4C21H24 A2B4C21D24 4.48 7.59 -8.5 -0.66 0
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81636 49854949 1 ClON4H17C18 ABC4D17E18 56.28 5.05 -8.3 -0.47 0
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81637 49854950 1 SN3O6C23H31 AB3C6D23E31 -164.56 6.63 -8.83 -0.24 0
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81638 49854951 1 SN3O6C24H33 AB3C6D24E33 -176.93 12.82 -9.15 -0.59 0
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81639 49854952 1 SN4O6C24H28 AB4C6D24E28 -139.06 6.97 -9.05 -1.02 0
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81640 49854953 1 SN5O5C27H35 AB5C5D27E35 -110.91 9.06 -9.24 -0.95 0
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81641 49854954 1 SN5O5C24H29 AB5C5D24E29 -105.2 4.79 -9.15 -0.94 0
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81642 49854955 1 ClN2H11C17 AB2C11D17 99.86 6.35 -8.76 -0.68 0
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81643 49854956 1 N3H11C16 A3B11C16 120.61 5.56 -8.71 -0.7 0
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81644 49854957 1 ON3H13C17 AB3C13D17 80.46 5.38 -8.38 -0.95 0
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81645 49854958 1 ClN2H11C17 AB2C11D17 99.76 5.81 -8.76 -0.68 0
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81646 49854959 2 NO2H9C10 AB2C9D10 -50.77 4.46 -8.43 -0.55 0
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81647 49854960 1 N2H12C17 A2B12C17 109.8 5.04 -8.68 -0.51 0
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81648 49854962 1 N5C24H27 A5B24C27 119.83 6.9 -8.59 -0.45 0
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81649 49854964 2 ON2C11H14 AB2C11D14 -9.5 5.52 -8.34 0.03 0
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81650 49854965 1 ON3C24H29 AB3C24D29 25.04 2.98 -8.33 -0.2 0
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81651 49854966 2 NOC11H13 ABC11D13 -11.7 3.94 -8.27 0.12 0
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81652 49854969 1 O4F5N6H25C28 A4B5C6D25E28 -304.47 6.76 -8.6 -1.04 0
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81653 49854970 1 ClF4O4N6H25C28 AB4C4D6E25F28 -265.8 8.22 -8.88 -1.01 0
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81654 49854971 1 N2O2F5H9C15 A2B2C5D9E15 -274.15 3.23 -9.63 -1.32 0
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81655 49854972 1 ClN2O2F4H9C15 AB2C2D4E9F15 -238.26 3.27 -9.62 -1.33 0
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81656 49854973 1 NSO4C16H27 ABC4D16E27 -206.98 6.06 -8.9 0.02 0
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81657 49854974 1 N4O5C26H32 A4B5C26D32 -175.54 6.03 -8.3 -0.37 0
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81658 49854975 1 N5H15C17 A5B15C17 151.36 6.5 -9.61 -1.24 0
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81659 49854976 1 N5H15C17 A5B15C17 150.58 5.87 -9.69 -1.15 0
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81660 49854977 1 O2N5H15C16 A2B5C15D16 112.88 7.32 -9.85 -1.62 0
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81661 49854979 1 SN2C19H20 AB2C19D20 62.73 4.48 -7.83 0.0 0
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81662 49854980 1 SN2C19H20 AB2C19D20 62.74 4.5 -7.83 0.0 0
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81663 49854981 1 N3O3H23C25 A3B3C23D25 7.46 9.37 -8.62 -0.71 0
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81664 49854983 1 O3N7H11C13 A3B7C11D13 86.17 5.62 -9.44 -1.71 0
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81665 49854984 1 ClSO5N6C19H21 ABC5D6E19F21 -110.1 4.63 -8.51 -0.58 0
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81666 49854985 1 ClSN5O5C21H24 ABC5D5E21F24 -117.32 8.65 -8.03 -0.33 0
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81668 49854989 1 ClSN5O6C21H22 ABC5D6E21F22 -148.28 6.56 -8.12 -0.43 2
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81669 49854991 1 N2O9C26H38 A2B9C26D38 -348.64 6.33 -8.94 -0.28 0
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81670 49854992 1 N2O5C24H32 A2B5C24D32 -164.67 5.25 -8.42 0.21 0
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81671 49854993 1 FSN6O7C24H35 ABC6D7E24F35 -251.86 17.16 -8.93 -0.89 0
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81672 49854994 1 FSN5O9C23H32 ABC5D9E23F32 -328.25 16.97 -9.16 -1.01 0
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81673 49854995 1 FSN5O9C21H28 ABC5D9E21F28 -351.57 20.72 -8.97 -0.87 0
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81674 49854996 1 FSN5O11C25H36 ABC5D11E25F36 -444.13 16.87 -8.94 -0.87 0
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81675 49854997 1 NaS2N9O10C22H30 AB2C9D10E22F30 -388.09 6.13 -8.73 -0.84 0
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81676 49854999 4 OC4H7 AB4C7 -225.66 5.75 -10.62 0.29 0
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81677 49855001 1 SO2F3N5C20H24 AB2C3D5E20F24 -212.16 5.95 -9.22 -1.07 0
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81678 49855002 1 FSO4N5H16C23 ABC4D5E16F23 -9.32 9.27 -9.01 -1.96 0
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81679 49855003 1 FSN4O5H23C25 ABC4D5E23F25 -105.52 10.18 -8.87 -1.49 0
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81680 49855004 1 FSN4O5H21C24 ABC4D5E21F24 -107.77 9.75 -9.05 -1.32 0
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81681 49855005 1 FSN4O5H21C24 ABC4D5E21F24 -103.35 4.26 -9.32 -1.41 0
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81682 49855007 1 ClSO4C22H27 ABC4D22E27 -160.32 2.79 -8.94 -0.63 0
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81683 49855008 1 NSF3O5C23H24 ABC3D5E23F24 -318.0 5.31 -9.3 -0.89 0
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81684 49855010 1 SF3O5C23H27 AB3C5D23E27 -346.44 5.44 -8.54 -0.51 0
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81685 49855011 1 SF3O6C23H27 AB3C6D23E27 -390.64 5.11 -8.97 -0.75 0
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81686 49855012 1 ClSO5C22H27 ABC5D22E27 -191.67 7.44 -8.85 -0.79 0
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81687 49855013 1 O2C17H34 A2B17C34 -167.02 1.83 -10.61 0.9 0
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81688 49855015 1 N2C19H24 A2B19C24 37.88 2.84 -8.02 0.46 0
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81689 49855016 2 NOC10H12 ABC10D12 -45.44 3.99 -8.1 0.01 0
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81690 49855017 1 ON2C21H22 AB2C21D22 55.6 3.17 -8.04 0.07 0
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81691 49855018 1 FON2C25H27 ABC2D25E27 -17.71 2.35 -8.06 -0.04 0
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81692 49855019 1 N2O2C25H28 A2B2C25D28 -6.65 3.87 -7.98 0.06 0
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81693 49855020 1 ON2C21H26 AB2C21D26 -12.73 3.73 -7.97 0.04 0
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81694 49855021 1 ON2C21H26 AB2C21D26 -19.58 3.41 -7.83 -0.06 0
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81695 49855022 2 SN2O2C13H13 AB2C2D13E13 -58.54 9.06 -8.79 -1.45 0
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81696 49855023 1 SO4N5H25C26 AB4C5D25E26 -33.7 10.08 -7.93 -1.76 0
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81697 49855024 1 SN4O4C28H28 AB4C4D28E28 -45.69 11.06 -8.64 -1.59 0
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81698 49855025 1 ClSN5O5H22C24 ABC5D5E22F24 -21.48 2.7 -8.07 -2.5 0
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81699 49855026 1 ClFSN3O4H23C24 ABCD3E4F23G24 -129.59 7.09 -8.43 -1.22 0