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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46912 10528317 1 N3C21H26 A3B21C26 51.5 1.65 0.0 0.0 0
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46913 10528323 1 OPN3C29H32 ABC3D29E32 -27.6 3.76 -8.69 -0.48 0
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46914 10528330 1 N5C30H39 A5B30C39 80.08 4.18 -8.75 -0.64 0
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46915 10528333 1 ClNSO4H24C25 ABCD4E24F25 -128.22 4.63 -8.76 -1.01 0
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46916 10528360 2 N2O2C13H19 A2B2C13D19 -186.09 7.74 -9.01 -0.82 0
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46917 10528368 2 O2C15H23 A2B15C23 -215.24 6.15 -9.41 -0.04 0
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46918 10528369 1 O3C31H50 A3B31C50 -210.34 1.77 -9.22 0.75 0
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46919 10528391 1 NO6H25C28 AB6C25D28 -162.48 3.36 -9.02 -0.77 0
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46920 10528397 1 N3O4C28H29 A3B4C28D29 -7.87 7.51 -9.33 -0.12 0
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46921 10528400 1 O3N5C27H29 A3B5C27D29 -25.89 5.9 -9.18 -0.72 0
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46922 10528411 1 ClBr2N3C18H18 AB2C3D18E18 63.57 0.71 -8.88 -0.72 0
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46923 10528416 1 ClN3O3H22C27 AB3C3D22E27 -23.51 7.94 -8.51 -1.11 0
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46924 10528417 1 SnO2N3C21H27 AB2C3D21E27 -1.61 4.26 -8.3 -0.62 2
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46925 10528421 1 FeO2H24C30 AB2C24D30 81.74 2.1 -8.05 -0.25 0
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46926 10528423 1 BrSN5H14C23 ABC5D14E23 223.36 9.89 -8.27 -1.92 0
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46927 10528437 1 O5N6C23H32 A5B6C23D32 -139.79 0.57 -9.22 -0.69 0
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46929 10528455 1 ClFO2N4C25H30 ABC2D4E25F30 -77.66 3.64 -8.28 -0.7 0
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46930 10528463 1 PN7O7C17H28 AB7C7D17E28 -311.64 3.56 -9.84 -0.68 0
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46931 10528484 1 NO5C28H43 AB5C28D43 -266.81 2.66 -9.66 0.03 0
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46932 10528487 1 ClSO2N5H16C24 ABC2D5E16F24 66.0 5.35 -8.72 -1.18 0
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46933 10528490 1 CuN2O3C24H47 AB2C3D24E47 -164.81 13.91 -8.82 0.34 0
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46934 10528492 1 BrNO5C23H24 ABC5D23E24 -152.17 5.07 -9.07 -0.6 0
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46935 10528503 1 O7H26C28 A7B26C28 -195.04 3.68 -9.44 -0.79 0
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46936 10528506 2 NO2H11C15 AB2C11D15 119.85 0.8 -8.28 -1.18 0
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46937 10528527 1 O2N4C29H38 A2B4C29D38 -28.55 1.75 -8.18 -0.42 0
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46938 10528542 1 BrO2N4C23H31 AB2C4D23E31 -39.64 4.78 -8.17 -0.41 0
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46939 10528543 1 NSO10H17C21 ABC10D17E21 -345.2 4.79 -9.74 -1.55 0
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46940 10528544 1 NF3O7C22H28 AB3C7D22E28 -458.89 6.71 -9.22 -0.56 0
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46941 10528551 1 O2N5H25C29 A2B5C25D29 83.54 2.94 -8.42 -0.75 0
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46942 10528557 1 O2N5C28H37 A2B5C28D37 -73.66 4.55 -8.42 -0.51 0
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46943 10528567 1 SiO2N3C27H49 AB2C3D27E49 -144.75 3.69 -8.93 -0.26 0
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46944 10528573 1 PSF3O4H16C23 ABC3D4E16F23 -249.19 7.76 -8.36 -1.23 0
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46945 10528580 1 N4O7C23H32 A4B7C23D32 -310.7 6.64 -9.25 -0.88 0
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46946 10528582 1 O3N4H24C29 A3B4C24D29 63.57 11.8 -8.93 -1.3 0
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46947 10528597 2 O3C14H22 A3B14C22 -348.39 2.61 -10.29 0.53 0
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46948 10528598 1 OSN4C28H36 ABC4D28E36 6.98 1.31 -7.55 -0.22 0
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46949 10528606 1 ClO2N4C27H29 AB2C4D27E29 16.72 8.61 -9.57 -0.87 0
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46950 10528611 1 Cl2N2O5H22C23 A2B2C5D22E23 -145.02 9.1 -8.89 -1.04 0
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46951 10528617 1 BrSO3C24H29 ABC3D24E29 -110.71 5.19 -9.2 -0.87 0
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46952 10528618 1 NSCl2H24C28 ABC2D24E28 87.98 4.33 0.0 0.0 0
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46953 10528634 1 NSO5C26H39 ABC5D26E39 -221.29 6.6 -8.69 -0.39 0
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46954 10528635 1 NSO3C29H35 ABC3D29E35 -87.12 2.45 -8.57 -0.4 0
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46955 10528641 1 ClNO4C26H52 ABC4D26E52 -286.49 9.07 -8.63 0.43 0
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46956 10528644 1 NSCl2O4H21C23 ABC2D4E21F23 -114.12 3.18 -9.44 -0.83 0
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46957 10528648 1 O11C23H26 A11B23C26 -397.62 7.77 -8.75 -1.1 0
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46958 10528654 2 O4C13H19 A4B13C19 -387.57 6.42 -10.69 0.18 0
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46959 10528663 1 N2O4C29H38 A2B4C29D38 -167.45 5.26 -8.56 -0.54 0
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46960 10528664 1 O4C31H42 A4B31C42 -155.07 1.42 -8.92 -0.25 0
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46961 10528667 1 O5C29H50 A5B29C50 -308.13 6.83 -9.94 0.51 0
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46962 10528668 1 O3C32H46 A3B32C46 -161.76 9.19 -9.75 0.68 0
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46963 10528671 1 ClO4N9C18H36 AB4C9D18E36 -203.85 5.67 -9.67 0.05 0
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46964 10528676 1 OSCl2N6C21H24 ABC2D6E21F24 77.9 3.43 -8.46 -1.2 0
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46965 10528677 1 OCl2N2C28H28 AB2C2D28E28 26.82 0.87 -9.22 -0.47 0
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46966 10528680 1 N3O6H17C19 A3B6C17D19 -167.2 12.18 -9.35 -1.29 0
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46967 10528686 1 OSN4C22H30 ABC4D22E30 36.33 2.8 -8.53 -0.84 0
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46968 10528696 1 NSO6C25H37 ABC6D25E37 -240.17 3.16 -8.91 -0.25 0
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46969 10528697 1 NO3S3H21C25 AB3C3D21E25 13.16 9.52 -8.2 -0.72 0
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46970 10528707 1 ClNF2O3C26H32 ABC2D3E26F32 -233.86 7.85 -8.73 -0.09 0
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46971 10528711 2 BrSN2H4C8 ABC2D4E8 154.71 0.03 -9.3 -1.24 0
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46973 10528716 2 N2O5C10H12 A2B5C10D12 -391.6 6.83 -9.7 -1.16 0
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46974 10528724 1 O8C27H28 A8B27C28 -257.5 7.39 -8.99 -0.34 0
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46975 10528731 2 NO2H14C15 AB2C14D15 -78.79 2.54 -9.66 -0.71 0
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46976 10528733 2 NO2H14C15 AB2C14D15 -117.26 3.02 -9.03 -0.73 0
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46977 10528734 1 O3N4H28C29 A3B4C28D29 -30.02 8.06 -9.36 -1.09 0
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46978 10528740 1 F2N2O2C29H34 A2B2C2D29E34 -113.57 3.34 -8.43 -0.23 0
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46979 10528744 5 OC6H8 AB6C8 -195.77 8.29 -9.4 -0.21 0
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46980 10528747 1 SN2O3C28H36 AB2C3D28E36 -97.09 6.71 -8.22 -0.5 0
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46981 10528750 1 S2O5C25H36 A2B5C25D36 -206.01 5.89 -8.78 -0.48 0
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46982 10528752 1 SSiN2O4C24H40 ABC2D4E24F40 -231.98 5.12 -9.0 -0.81 1
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46983 10528756 1 PO5N6C18H34 AB5C6D18E34 -201.21 9.64 0.0 0.0 0
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46984 10528757 1 ClN4O6C22H29 AB4C6D22E29 -171.86 9.51 -8.72 -1.3 0
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46985 10528766 1 NO7C27H31 AB7C27D31 -249.9 1.39 -8.9 -0.06 0
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46986 10528767 1 NO7C27H31 AB7C27D31 -258.46 11.28 -9.09 -0.65 0
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46987 10528771 1 N5O5C25H31 A5B5C25D31 -30.35 14.57 -9.48 -1.44 0
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46988 10528777 1 ClSN3O7C20H20 ABC3D7E20F20 -205.01 5.0 -9.48 -0.92 0
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46989 10528778 1 Br2O3C21H22 A2B3C21D22 -46.64 3.2 -9.49 -0.58 0
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46992 10528810 1 SN2O2C30H30 AB2C2D30E30 54.05 2.57 -8.85 -0.32 0
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46993 10528815 1 SCl3N3O3H14C20 AB3C3D3E14F20 -69.19 2.17 -9.35 -1.32 0
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46994 10528819 1 ClO3H27C31 AB3C27D31 -44.35 5.26 -9.44 -0.61 0
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46995 10528824 1 NaCl2N4O4H17C21 AB2C4D4E17F21 -161.85 9.27 -8.59 -0.77 0
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46996 10528829 1 SeO4C26H28 AB4C26D28 -57.3 3.18 -8.54 -0.39 0
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46997 10528830 1 NSO8H21C24 ABC8D21E24 -247.06 3.99 -8.56 -1.06 1
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46998 10528834 1 NS4C15H16 AB4C15D16 62.66 2.5 0.0 0.0 0
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46999 10528838 1 SN3O6C24H25 AB3C6D24E25 -157.55 7.58 -8.81 -1.24 0
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47000 10528842 1 SO2N3C29H29 AB2C3D29E29 33.23 2.08 -8.23 -0.91 0
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47002 10528867 1 PO7C25H41 AB7C25D41 -366.74 1.43 -8.64 0.35 0
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47003 10528879 1 N2O5C28H40 A2B5C28D40 -232.76 3.77 -9.52 0.02 0
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47004 10528898 1 FO5N7C22H24 AB5C7D22E24 -172.86 4.52 -9.13 -0.92 0
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47005 10528901 1 NO6H27C29 AB6C27D29 -180.25 9.36 -9.6 -0.55 0
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47006 10528902 1 N3O5H27C28 A3B5C27D28 -115.38 3.19 -8.86 -1.21 0
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47007 10528909 1 OS2N5H23C26 AB2C5D23E26 115.96 8.72 -7.89 -0.75 0
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47008 10528915 1 OPSN2Cl3H20C21 ABCD2E3F20G21 -77.03 3.79 -9.05 -0.88 0
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47009 10528917 1 Cl2N2O3C23H26 A2B2C3D23E26 -69.57 3.8 -9.12 -0.6 0
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47010 10528921 1 ClON3C30H32 ABC3D30E32 5.33 3.11 -9.12 -0.3 0
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47011 10528922 1 OPBr2H15C22 ABC2D15E22 59.81 5.47 -9.61 -0.96 0
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47012 10528926 1 ISN2O3C19H23 ABC2D3E19F23 -79.47 1.92 -8.91 -1.22 0
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47013 10528927 1 BrSO4N5C18H24 ABC4D5E18F24 -69.01 10.31 -8.65 -1.3 0
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47014 10528929 1 PSC23H26 ABC23D26 63.4 2.2 0.0 0.0 0
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47015 10528930 6 NOH3C4 ABC3D4 50.23 3.2 -9.74 -2.27 0
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47016 10528984 1 NSO6C26H33 ABC6D26E33 -205.83 5.36 -8.65 -0.31 0