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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159895 57288865 1 NS3C15H31 AB3C15D31 -41.68 5.43 -9.28 -1.11 0
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159896 57288866 1 ON2C14H16 AB2C14D16 20.57 4.84 -8.15 -0.36 0
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159897 57288867 1 N2S2O3C21H24 A2B2C3D21E24 -27.97 3.85 -9.17 -2.38 0
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159898 57288868 1 C45H92 A45B92 -214.11 0.12 -10.11 3.99 0
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159899 57288869 1 ClNOF3C13H13 ABCD3E13F13 -169.41 4.33 -8.17 -0.17 0
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159900 57288870 1 IN2C14H17 AB2C14D17 50.4 4.58 -9.22 -0.86 1
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159901 57288871 1 NO2H10C13 AB2C10D13 13.45 3.52 0.0 0.0 0
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159902 57288872 1 N3O3C11H15 A3B3C11D15 -41.96 4.71 -9.52 -0.68 0
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159903 57288873 1 NO4F6H7C10 AB4C6D7E10 -439.06 2.22 -9.73 -1.7 0
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159904 57288874 1 F3C5H9 A3B5C9 -166.14 1.68 -12.03 2.56 1
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159905 57288875 1 NPCl2O5C18H27 ABC2D5E18F27 -261.45 4.61 0.0 0.0 0
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159906 57288876 2 OC8H13 AB8C13 -94.27 0.7 -8.08 0.25 0
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159907 57288878 1 N2O4C27H32 A2B4C27D32 -92.42 6.49 -8.35 -0.33 0
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159908 57288879 1 SO2C8N8H10 AB2C8D8E10 28.61 5.56 -9.33 -0.64 0
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159909 57288880 1 SN2O3H18C20 AB2C3D18E20 -36.61 4.98 -8.4 -0.82 0
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159910 57288881 1 PO3C9H21 AB3C9D21 -198.73 3.63 -8.44 2.14 0
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159911 57298367 2 N2O3C10H17 A2B3C10D17 -263.84 7.04 -8.68 -0.32 0
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159912 57298368 1 ClNF3O5H17C19 ABC3D5E17F19 -266.95 4.39 -10.07 -1.71 -1
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159913 57298370 1 C2O2S2H5 A2B2C2D5 -53.92 5.46 0.0 0.0 0
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159914 57298372 1 O5C24H34 A5B24C34 -201.26 8.85 -9.69 -0.51 0
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159915 57298376 1 ClF2N3O3H22C27 AB2C3D3E22F27 -135.95 5.91 -8.6 -0.81 0
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159916 57298448 1 OSN3C13H15 ABC3D13E15 22.33 3.97 -9.3 -1.32 0
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159917 57298450 1 FN3O6H20C25 AB3C6D20E25 -128.15 3.56 -9.29 -1.5 0
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159918 57298451 1 N2O3H14C16 A2B3C14D16 -79.46 5.42 -9.58 -1.28 -1
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159919 57298452 1 NSO3C6H10 ABC3D6E10 -117.61 5.12 0.0 0.0 0
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159920 57298453 1 NSO3C6H11 ABC3D6E11 -138.74 4.18 -9.35 -0.04 0
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159921 57298500 1 OC29H42 AB29C42 -66.15 1.32 -8.51 0.2 0
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159922 57298659 1 SiO2C7H15 AB2C7D15 -119.42 4.27 0.0 0.0 0
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159923 57298688 3 OC6H8 AB6C8 -94.16 4.84 -8.96 -0.52 0
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159924 57298689 1 BrSO2H11C13 ABC2D11E13 -33.86 6.79 -9.76 -0.79 0
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159925 57298691 1 S2N5O5C17H27 A2B5C5D17E27 -133.45 3.87 -8.87 -0.9 0
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159926 57298693 2 ON2C12H18 AB2C12D18 -51.85 5.91 -8.03 0.05 0
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159927 57298696 1 BrO2C14H19 AB2C14D19 -98.91 3.12 -9.41 -0.57 0
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159928 57298697 1 O5H10C11 A5B10C11 -183.49 3.56 -9.18 -0.72 0
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159929 57298701 1 SCl2O2N3C22H23 AB2C2D3E22F23 -34.83 6.05 -8.52 -0.6 1
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159930 57298702 1 SN4O5C30H41 AB4C5D30E41 -136.42 10.31 0.0 0.0 0
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159931 57298704 1 ClFNBr3O3H12C20 ABCD3E3F12G20 -54.76 2.1 -9.42 -2.0 0
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159932 57298706 3 O2C9H14 A2B9C14 -302.69 5.26 -8.7 0.15 0
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159933 57298707 1 ClON6H29C30 ABC6D29E30 118.47 1.93 -8.26 -1.08 0
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159934 57298708 2 NO2H8C9 AB2C8D9 -114.63 6.99 -8.72 -1.25 0
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159935 57298709 1 NSO5H15C16 ABC5D15E16 -83.55 2.91 -9.26 -1.35 0
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159936 57298845 1 ClNOSBr2H14C22 ABCDE2F14G22 43.29 3.57 -9.1 -1.2 0
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159937 57298903 2 OC7H10 AB7C10 -72.64 3.31 -9.45 0.31 0
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159938 57298923 1 NO14C51H75 AB14C51D75 -546.4 5.1 -9.04 -1.51 0
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159939 57298926 1 N2O2C11H12 A2B2C11D12 -79.48 6.59 -9.04 -0.72 0
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159940 57299206 1 N3C18H23 A3B18C23 44.14 2.45 -8.32 0.16 0
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159941 57299207 1 N3O3H15C16 A3B3C15D16 22.92 4.92 -9.22 -1.98 0
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159942 57299208 1 NO2C19H29 AB2C19D29 -116.65 6.57 -8.65 0.29 0
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159943 57299209 1 SC22H30 AB22C30 -8.27 1.45 -7.99 0.1 0
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159944 57299210 1 N3C18H25 A3B18C25 15.42 0.35 -8.51 0.26 0
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159945 57299211 1 N5O5C17H21 A5B5C17D21 -111.04 2.8 -8.93 -0.72 0
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159946 57299212 1 N4O5C38H40 A4B5C38D40 -145.19 9.05 -8.66 -0.57 0
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159947 57299213 1 PO2C42H63 AB2C42D63 -137.78 5.81 -8.29 0.02 0
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159948 57299214 2 O2C5H11 A2B5C11 -197.41 0.6 -9.86 1.51 1
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159949 57299215 1 S2N4O8H25C28 A2B4C8D25E28 -216.11 7.02 0.0 0.0 0
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159950 57299216 2 N2O2C14H17 A2B2C14D17 -103.5 5.79 -9.51 -1.18 0
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159951 57299242 1 ClNOC5H10 ABCD5E10 -79.1 4.25 -10.36 0.29 0
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159952 57299325 2 N2O3C14H15 A2B3C14D15 -206.7 6.84 -8.79 -0.63 0
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159953 57299374 1 O4N5C39H47 A4B5C39D47 -101.74 4.16 -8.76 -0.42 0
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159954 57299395 1 INO2C30H32 ABC2D30E32 -10.43 1.25 -8.83 -1.21 0
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159955 57299399 1 SN3O8C26H37 AB3C8D26E37 -300.86 11.47 -8.84 -1.13 0
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159956 57299401 1 OSN2C9H12 ABC2D9E12 -19.25 0.54 -9.26 -0.55 0
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159957 57304177 2 NO4C11H19 AB4C11D19 -389.7 6.58 -10.04 -0.3 0
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159958 57304178 1 OSN3H11C17 ABC3D11E17 80.5 6.36 -8.98 -1.89 0
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159959 57304179 1 N2O3C5H10 A2B3C5D10 -144.97 4.53 -10.08 1.03 0
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159960 57304180 1 SN2O2C14H16 AB2C2D14E16 -33.22 4.22 -8.76 -0.15 0
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159961 57304192 1 NO2C21H33 AB2C21D33 -97.62 6.32 -8.75 0.08 0
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159962 57304194 1 N3O5C13H19 A3B5C13D19 -228.95 6.32 -9.62 -0.48 0
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159963 57304196 1 N2O3C20H28 A2B3C20D28 -103.92 4.24 -8.2 -0.33 -1
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159964 57304198 1 SO3F6H9C15 AB3C6D9E15 -365.74 3.9 0.0 0.0 0
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159965 57304206 1 N2O3C16H20 A2B3C16D20 -79.25 2.62 -8.41 0.29 0
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159966 57304211 1 ON3C21H23 AB3C21D23 48.03 3.16 -8.79 -0.36 0
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159967 57304219 1 NSO3C6H9 ABC3D6E9 -104.71 1.74 -9.83 -1.03 0
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159968 57304220 1 BrC10H13 AB10C13 64.18 1.78 -10.14 0.05 0
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159969 57304224 1 ClS2N8O13C24H25 AB2C8D13E24F25 -425.56 9.32 -8.92 -1.37 0
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159970 57304230 1 N2S2O3C18H22 A2B2C3D18E22 -57.8 4.27 -8.73 -0.55 0
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159971 57304233 1 S2N4O4H18C25 A2B4C4D18E25 21.47 10.77 -9.17 -1.74 0
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159972 57304235 1 O3H14C17 A3B14C17 -37.42 1.92 -8.74 -0.65 0
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159973 57304239 1 NO5C15H17 AB5C15D17 -187.2 3.19 -8.54 -0.37 0
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159974 57304244 1 N3O6C12H13 A3B6C12D13 -178.47 5.95 -9.61 -0.79 0
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159975 57304250 1 NOSiF7C8H12 ABCD7E8F12 -433.14 5.85 -9.54 0.06 0
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159976 57304256 1 NO3C14H17 AB3C14D17 -98.05 5.88 -8.88 -0.38 0
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159977 57304258 1 ON2C7H14 AB2C7D14 -37.72 2.17 -8.99 0.94 0
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159978 57304264 1 O4N7C36H57 A4B7C36D57 -165.31 0.9 -8.97 -0.56 0
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159979 57304266 1 OC12H14 AB12C14 -11.86 3.85 -9.72 -0.47 0
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159980 57304275 1 OSN5C25H27 ABC5D25E27 60.71 3.78 -8.51 -0.9 0
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159981 57304278 1 NSO4C23H33 ABC4D23E33 -145.43 4.27 -8.09 -0.8 0
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159982 57304279 1 NO4C6H13 AB4C6D13 -194.88 2.13 -10.18 1.91 0
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159983 57304292 1 O6C25H26 A6B25C26 -172.94 3.64 -9.01 -1.25 0
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159984 57304297 1 SO3C17H24 AB3C17D24 -129.51 5.18 -10.16 -0.53 0
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159985 57304301 1 O4C23H32 A4B23C32 -183.31 6.45 -9.92 -0.59 0
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159986 57304322 2 NO4C10H15 AB4C10D15 -354.22 2.89 -9.84 -0.04 0
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159987 57304331 1 NO10C34H35 AB10C34D35 -345.18 2.65 -8.86 -0.81 0
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159988 57304332 1 ClNO2C6H10 ABC2D6E10 -87.44 5.82 -10.09 -0.5 1
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159989 57304335 1 SF3O3N4C8H14 AB3C3D4E8F14 -169.45 6.52 0.0 0.0 0
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159990 57304336 1 Cl2O2N3H7C10 A2B2C3D7E10 -22.81 6.26 -8.85 -1.31 0
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159991 57304340 1 N3O5C12H13 A3B5C12D13 -108.11 8.31 -9.94 -1.48 0
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159992 57304343 4 OC3H6 AB3C6 -177.46 2.11 -9.73 1.31 0
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159993 57304344 1 OCl2N4C24H26 AB2C4D24E26 10.13 7.56 -8.76 -0.64 0
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159994 57304346 1 PSO4C14H21 ABC4D14E21 -216.99 4.99 -8.99 -0.48 0