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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150884 53790581 1 NO5C9H9 AB5C9D9 -98.02 5.35 -9.69 -1.77 0
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150885 53790582 1 NSiO3C6H14 ABC3D6E14 -74.04 2.57 0.0 0.0 0
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150886 53790583 2 O2C21H35 A2B21C35 -248.92 3.46 -9.07 0.15 0
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150887 53790584 1 N2O7C14H18 A2B7C14D18 -286.88 3.36 -9.64 -0.07 0
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150888 53790585 1 FO4C25H33 AB4C25D33 -173.31 4.41 -9.2 -0.35 1
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150889 53790586 1 N4H17C20 A4B17C20 160.55 3.33 0.0 0.0 0
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150890 53790587 2 NO2C6H6 AB2C6D6 -124.75 7.09 -10.33 -0.9 0
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150891 53790588 1 ON4C15H20 AB4C15D20 0.84 1.62 -8.63 -0.6 0
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150892 53790589 1 OPCl2C4H9 ABC2D4E9 -126.74 3.18 -10.78 0.47 0
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150893 53790590 2 N2C10H21 A2B10C21 -66.09 2.32 -8.61 3.08 0
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150894 53790591 1 N2O7C12H14 A2B7C12D14 -196.24 5.02 -8.48 -1.01 0
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150895 53790592 1 FSN3O6C17H22 ABC3D6E17F22 -271.26 5.4 -9.3 -0.66 0
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150896 53790593 1 OF4H6C10 AB4C6D10 -162.38 1.73 -10.54 -1.01 0
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150897 53790594 1 N3O5C25H31 A3B5C25D31 -178.85 5.69 -9.14 -0.37 0
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150898 53790595 1 O3N5C20H23 A3B5C20D23 -13.17 3.1 -9.46 -1.22 0
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150899 53790596 1 SN3O3H19C22 AB3C3D19E22 15.76 5.56 -8.43 -1.04 0
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150900 53790597 1 BrO2C26H27 AB2C26D27 -5.16 4.34 -8.34 -0.08 0
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150901 53790598 1 FNSO2H12C17 ABCD2E12F17 -44.75 2.4 -9.21 -1.31 0
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150902 53790599 1 NC12H21 AB12C21 -19.99 1.65 -8.32 3.03 0
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150903 53790600 1 O2C11H14 A2B11C14 -61.06 2.0 -10.15 -1.05 0
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150904 53790601 1 ClSN2C36H43 ABC2D36E43 37.98 2.45 -7.77 -0.12 0
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150905 53790602 1 N5O10C26H41 A5B10C26D41 -461.93 14.44 -9.85 -0.14 0
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150906 53790603 1 NO2C20H27 AB2C20D27 -55.2 1.65 -8.44 0.02 0
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150907 53790604 1 N2O2F6H16C23 A2B2C6D16E23 -221.01 8.96 -9.36 -0.53 0
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150908 53790605 1 BrN2O4C17H25 AB2C4D17E25 -147.32 5.25 -8.66 -0.58 0
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150909 53790606 1 NPS2C4H8 ABC2D4E8 2.33 2.88 -9.12 -1.33 0
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150910 53790607 2 NOC14H17 ABC14D17 -49.56 2.04 -8.75 -0.28 0
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150911 53790608 1 OC14H30 AB14C30 -115.52 1.52 -9.58 2.4 0
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150912 53790609 1 SiO4C24H43 AB4C24D43 -209.58 1.36 0.0 0.0 0
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150913 53790610 1 ClN2H11C13 AB2C11D13 82.35 2.22 -9.04 -0.49 0
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150914 53790611 2 C5H8 A5B8 -11.01 0.52 -9.42 1.43 0
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150915 53790612 1 O4C27H36 A4B27C36 -144.72 3.3 -8.54 -0.51 0
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150916 53790613 1 O5H10C11 A5B10C11 -181.7 6.33 -10.49 -1.89 0
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150917 53790614 1 ClN2C14H21 AB2C14D21 -3.72 5.2 -8.49 -0.28 0
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150918 53790615 1 O8C27H50 A8B27C50 -468.98 4.52 -10.57 0.15 0
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150919 53790616 1 O5C20H36 A5B20C36 -259.24 3.96 -9.55 0.16 0
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150920 53790617 1 OF2N4C13H16 AB2C4D13E16 -79.12 2.84 -9.27 -0.53 0
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150921 53790618 1 OC19H28 AB19C28 -70.82 4.7 -9.81 -0.08 0
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150922 53790619 1 ClO3C5H7 AB3C5D7 -125.94 7.61 -10.54 -1.03 0
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150923 53790620 1 Cl2N3O3H11C14 A2B3C3D11E14 -57.65 2.19 -9.94 -1.64 0
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150924 53790621 1 BrSN3O6C14H14 ABC3D6E14F14 -131.71 4.93 -9.49 -1.49 0
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150925 53790622 1 PSi3S4O9C18H45 AB3C4D9E18F45 -748.56 5.82 -8.65 -0.42 0
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150926 53790623 1 N2C13H22 A2B13C22 12.93 0.36 -8.75 0.46 0
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150927 53790624 1 ClN3O3H18C23 AB3C3D18E23 -5.32 3.76 -8.81 -0.89 0
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150928 53790625 1 FNOC12H24 ABCD12E24 -123.02 1.86 -9.55 0.98 0
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150929 53790626 1 PN6O10C35H45 AB6C10D35E45 -470.17 10.91 -8.83 -0.47 0
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150930 53790627 1 OF3C11H13 AB3C11D13 -188.58 3.9 -10.02 -1.06 0
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150931 53790628 1 N4O13C56H70 A4B13C56D70 -558.21 8.32 -8.9 -0.46 -1
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150932 53790629 1 SN2O3H11C12 AB2C3D11E12 -8.54 5.94 0.0 0.0 0
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150933 53790630 2 OC11H16 AB11C16 -120.74 1.43 -8.9 0.23 0
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150934 53790631 2 C4H5 A4B5 97.3 1.13 -8.59 0.49 0
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150935 53790632 1 O2S2C35H50 A2B2C35D50 -86.98 4.27 -8.74 -1.23 0
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150936 53790633 1 O2S2C35H50 A2B2C35D50 -87.77 5.14 -8.73 -1.24 0
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150937 53790634 1 ClOH13C17 ABC13D17 41.09 2.73 -9.36 -0.02 0
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150938 53790635 2 OC7H7 AB7C7 -63.82 5.1 -9.14 -0.81 0
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150939 53790636 1 N2O7C27H30 A2B7C27D30 -176.24 4.8 -9.74 -1.26 0
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150940 53790637 1 N2O7C27H30 A2B7C27D30 -172.68 5.25 -9.67 -1.49 0
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150941 53790638 1 N2O7C27H30 A2B7C27D30 -172.34 4.45 -9.68 -1.56 0
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150942 53790639 1 O3C12H14 A3B12C14 -104.71 4.5 -9.07 -0.17 0
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150943 53790640 1 PN6O9C15H21 AB6C9D15E21 -393.05 4.83 -9.18 -0.62 0
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150944 53790641 1 O2F8H12C17 A2B8C12D17 -456.2 8.31 -10.06 -1.08 0
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150945 53790642 1 FNSO8C36H40 ABCD8E36F40 -222.54 8.77 -8.62 -1.48 0
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150946 53790643 1 O4C17H30 A4B17C30 -185.86 2.48 -9.78 0.31 0
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150947 53790644 1 IF4O4C23H35 AB4C4D23E35 -420.37 5.0 -9.6 -0.83 1
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150948 53790645 1 Cl2O3C5H9 A2B3C5D9 -132.42 5.05 0.0 0.0 0
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150949 53790646 1 Cl2O3C5H8 A2B3C5D8 -140.93 2.28 -10.19 -0.75 0
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150950 53790647 1 O4C9H14 A4B9C14 -125.96 2.38 -10.45 0.18 0
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150951 53790648 1 N3O7C30H51 A3B7C30D51 -341.26 2.56 -8.86 -0.22 0
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150952 53790649 1 ClN2O2F3H4C9 AB2C2D3E4F9 -201.4 5.68 -9.66 -1.48 0
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150953 53790650 1 Cl2O4C25H32 A2B4C25D32 -153.67 1.36 -8.03 -0.22 0
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150954 53790651 1 NSO3C11H15 ABC3D11E15 -103.53 7.06 -9.36 -0.44 0
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150955 53790652 1 SN2O2C11H14 AB2C2D11E14 -38.25 10.2 -8.9 -0.74 0
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150956 53790653 1 N2O3C20H20 A2B3C20D20 -17.92 4.5 -8.2 -0.77 0
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150957 53790654 1 NO3C21H43 AB3C21D43 -206.28 2.88 -9.86 0.75 0
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150958 53790655 1 ClON3C11H14 ABC3D11E14 -32.75 6.52 -8.64 -0.32 0
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150959 53790656 1 N4O4C7H8 A4B4C7D8 -98.46 3.34 -10.45 -1.46 0
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150960 53790657 1 NO6C17H21 AB6C17D21 -226.5 6.44 -8.55 -0.92 0
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150961 53790658 1 ClNS2O4C18H18 ABC2D4E18F18 -110.02 4.5 -9.11 -1.0 0
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150962 53790659 1 NO3C10H11 AB3C10D11 -75.94 3.08 -9.09 -1.01 0
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150963 53790660 1 NSO5C12H13 ABC5D12E13 -164.69 7.69 -9.33 -1.11 0
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150964 53790661 1 ON4C9H14 AB4C9D14 -15.87 5.96 -9.41 0.42 0
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150965 53790662 1 O3C11H14 A3B11C14 -136.37 6.79 -9.54 -0.36 0
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150966 53790663 1 PSN2O8H29C34 ABC2D8E29F34 -142.57 10.11 -8.74 -1.29 0
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150967 53790664 2 O2C12H17 A2B12C17 -163.31 7.58 -9.56 0.18 0
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150968 53790665 1 SN6O6C22H34 AB6C6D22E34 -198.93 4.38 -9.3 -0.46 0
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150969 53790666 2 C6H11 A6B11 -17.99 0.25 -9.36 1.38 0
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150970 53790667 1 NOC8H17 ABC8D17 -51.99 2.08 -9.0 2.34 0
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150971 53790668 2 C3O3H7 A3B3C7 -282.27 2.5 -10.6 1.63 0
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150974 53790671 2 C3O3H7 A3B3C7 -287.51 2.08 -10.41 1.44 0
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150975 53790672 1 O2N3C25H33 A2B3C25D33 -66.2 3.25 -8.9 -0.21 0
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150976 53790673 1 NO4C24H31 AB4C24D31 -177.05 5.35 -8.79 -0.66 0
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150977 53790674 2 ClON2H11C14 ABC2D11E14 29.58 9.76 -9.05 -0.86 0
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150978 53790675 2 ClON2H11C14 ABC2D11E14 30.6 10.36 -8.99 -0.78 0
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150979 53790676 1 SCl2N2O4C14H16 AB2C2D4E14F16 -72.51 3.88 -9.22 -1.67 0
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150980 53790677 1 PN8O8C40H57 AB8C8D40E57 -200.04 11.86 -8.73 -0.92 0
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150981 53790678 1 O3N4C19H24 A3B4C19D24 -52.42 9.47 -8.62 -0.83 0
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150982 53790679 1 PN4O5C21H33 AB4C5D21E33 -144.44 7.46 -9.09 -0.51 0
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150983 53790680 1 OSN2C23H24 ABC2D23E24 29.79 3.0 -8.91 -1.14 0
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150984 53790681 1 SO2N3H15C20 AB2C3D15E20 41.92 0.52 -9.01 -1.41 0
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150985 53790682 1 NC24H41 AB24C41 -44.92 4.99 -10.31 -0.12 0