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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413965 135086917 1 INS2C14H18 ABC2D14E18 35.0 6.94 -8.56 -1.34 0
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413966 135086918 1 ISH9C10 ABC9D10 84.83 3.77 -8.45 -0.79 0
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413967 135086919 1 O6C13H16 A6B13C16 -185.59 3.43 -10.3 0.13 1
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413968 135086920 1 PSN4O14C62H62 ABC4D14E62F62 -446.72 6.07 0.0 0.0 0
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413969 135086921 1 NO2H19C24 AB2C19D24 50.27 5.39 -9.01 -0.32 0
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413970 135086922 1 SiO2C10H18 AB2C10D18 -87.88 2.67 -9.53 0.24 0
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413971 135086923 1 SO2C14H20 AB2C14D20 -78.63 6.84 -9.24 0.21 0
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413972 135086924 1 SO3C17H18 AB3C17D18 -71.78 7.13 -9.21 -0.35 0
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413973 135086925 1 SO2F3H15C17 AB2C3D15E17 -192.53 4.64 -9.45 -1.07 0
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413974 135086926 2 NOC7H10 ABC7D10 -82.23 5.26 -9.34 -0.32 0
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413975 135086927 1 BrNOSC11H12 ABCDE11F12 -11.54 2.94 -7.9 -0.51 0
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413976 135086929 3 FOC5H5 ABC5D5 -274.89 4.95 -10.1 -0.65 0
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413977 135086930 2 O2C7H9 A2B7C9 -156.76 4.39 -9.43 -0.61 1
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413979 135086932 1 ClO2C20H29 AB2C20D29 -115.38 2.45 -9.37 0.34 0
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413980 135086933 1 BrO3C15H15 AB3C15D15 -60.79 2.23 -8.63 -0.27 0
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413981 135086934 2 OC8H8 AB8C8 24.48 4.75 -9.43 -0.75 0
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413982 135086935 1 O2H16C21 A2B16C21 -8.48 4.01 -8.99 -0.9 0
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413983 135086936 1 NO2H19C22 AB2C19D22 -9.38 1.74 -8.98 -0.86 0
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413984 135086937 1 NO2H17C18 AB2C17D18 -18.09 4.46 -8.77 -1.06 0
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413985 135086938 1 PO5C19H23 AB5C19D23 -217.34 1.41 -9.2 -0.5 0
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413986 135086939 1 ClPO5C19H22 ABC5D19E22 -227.25 3.84 -9.38 -0.7 0
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413987 135086940 1 SO3H16C17 AB3C16D17 -54.71 7.43 -9.38 -0.66 0
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413988 135086941 1 O2H16C17 A2B16C17 9.89 3.26 -8.27 -0.33 0
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413989 135086942 1 N2O3H18C21 A2B3C18D21 -14.59 1.39 -8.49 -1.08 0
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413990 135086943 2 NOC8H11 ABC8D11 -39.36 8.03 -8.24 -0.38 0
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413991 135086944 2 NOC8H11 ABC8D11 -40.21 8.38 -8.16 -0.37 0
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413992 135086945 1 BrN2O2C26H29 AB2C2D26E29 16.36 5.59 -8.33 -0.3 0
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413993 135086946 1 BrN2O2C27H29 AB2C2D27E29 9.65 3.74 -8.39 -0.76 0
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413994 135086947 1 ON3H19C21 AB3C19D21 38.01 6.12 -8.47 -0.67 1
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413995 135086948 1 N4C15H15 A4B15C15 139.99 4.39 0.0 0.0 1
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413996 135086949 1 N4H17C19 A4B17C19 148.93 4.24 0.0 0.0 0
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413997 135086950 1 ClSO2N3H14C16 ABC2D3E14F16 19.68 9.3 -8.73 -1.12 0
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413998 135086951 1 ON2C12H12 AB2C12D12 56.8 1.96 -8.21 -0.62 0
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413999 135086952 1 N3C20H23 A3B20C23 92.66 2.38 -8.16 -0.52 0
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414000 135086953 2 NC8H9 AB8C9 92.42 2.7 -8.2 -0.5 0
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414001 135086954 2 NOH12C14 ABC12D14 18.31 1.93 -8.62 -0.47 0
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414002 135086955 1 PN2O3C15H21 AB2C3D15E21 -163.06 2.08 -8.35 0.02 0
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414003 135086956 1 N2O3C14H18 A2B3C14D18 -93.76 3.02 -8.07 -0.06 0
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414004 135086957 1 FN2O2C13H15 AB2C2D13E15 -103.69 4.16 -8.6 -0.19 0
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414005 135086958 2 NO2H3C5 AB2C3D5 -16.96 8.26 -9.84 -1.66 0
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414006 135086959 1 O3C16H22 A3B16C22 -117.01 3.18 -8.33 0.01 0
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414007 135086960 1 SO2N4H14C16 AB2C4D14E16 42.72 3.08 -8.57 -0.82 0
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414008 135086961 1 OCl2H10C15 AB2C10D15 28.92 3.37 -9.5 -0.56 0
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414009 135086962 1 O2N3C26H33 A2B3C26D33 -21.48 6.66 -8.46 -0.43 0
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414010 135086963 2 N2O2C9H10 A2B2C9D10 -70.05 5.54 -9.01 -1.02 0
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414011 135086964 1 ClSO2N4C15H15 ABC2D4E15F15 -13.56 5.19 -9.12 -1.14 0
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414012 135086965 1 ClSO3N4C17H19 ABC3D4E17F19 -66.64 4.73 -9.07 -1.19 0
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414013 135086966 1 N2O3H22C26 A2B3C22D26 19.18 3.83 -8.17 -0.82 0
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414014 135086967 1 NO4C11H19 AB4C11D19 -210.72 6.75 -10.2 0.34 0
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414015 135086968 1 NOC12H13 ABC12D13 20.36 1.9 -9.92 -0.66 0
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414016 135086969 2 OC6H9 AB6C9 -56.67 3.72 -9.43 0.24 0
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414017 135086970 1 NO4C11H11 AB4C11D11 -93.93 3.2 -9.76 -0.64 0
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414018 135086971 1 NSO3C11H21 ABC3D11E21 -123.83 3.88 -9.59 0.68 0
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414019 135086972 1 NS2H3C4O4 AB2C3D4E4 -82.88 3.88 -9.86 -0.84 0
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414020 135086973 1 OSN3C6H7 ABC3D6E7 79.01 6.56 -8.72 -1.35 0
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414021 135086974 1 FN2O3H7C10 AB2C3D7E10 -78.29 1.23 -10.41 -1.23 1
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414022 135086975 1 FN2O3H8C10 AB2C3D8E10 -82.24 5.3 0.0 0.0 0
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414023 135086976 2 IC7H9 AB7C9 32.84 2.36 -9.16 -0.76 0
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414024 135086977 1 SC12H12 AB12C12 75.61 1.88 -8.94 -0.66 0
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414025 135086978 1 ON3H9C10 AB3C9D10 72.78 6.17 -9.8 -0.93 0
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414026 135086979 1 NO2C14H15 AB2C14D15 13.08 6.33 -9.01 -0.46 0
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414027 135086980 1 NSO4C15H19 ABC4D15E19 -130.71 6.3 -10.12 -0.62 0
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414028 135086981 1 IC16H17 AB16C17 91.99 1.81 -8.7 -0.64 0
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414029 135086982 1 OSiC12H20 ABC12D20 -103.18 1.69 -8.8 0.5 0
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414030 135086983 1 NOSiC13H23 ABCD13E23 -73.41 2.96 -8.37 0.37 0
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414031 135086984 1 Si3N5O8C28H55 A3B5C8D28E55 -409.44 6.42 -8.96 -1.02 0
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414032 135086985 1 LiZnCl2C7H7 ABC2D7E7 -49.42 6.52 -9.23 -0.85 0
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414033 135086986 1 ClSiC17H21 ABC17D21 -31.05 1.91 -9.5 -0.33 0
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414034 135086987 1 O2H16C17 A2B16C17 -28.39 1.72 -8.97 -0.27 0
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414035 135086988 1 SN2O4C17H20 AB2C4D17E20 -107.31 5.04 -9.38 -0.84 0
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414036 135086989 1 NS2H11C12 AB2C11D12 67.89 6.32 -8.76 -0.6 0
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414037 135086990 1 OSH14C16 ABC14D16 62.81 2.89 -8.71 0.0 1
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414038 135086991 1 PSeN4O14C62H62 ABC4D14E62F62 -389.76 10.33 0.0 0.0 0
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414039 135086992 1 PN2O2C17H21 AB2C2D17E21 -78.46 4.89 -9.26 -0.41 0
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414040 135086993 1 NSO4C20H21 ABC4D20E21 -60.09 7.33 -9.36 -0.72 0
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414041 135086994 1 NOSC12H15 ABCD12E15 -21.84 4.02 -8.06 -0.17 0
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414042 135086995 2 O3C29H50 A3B29C50 -382.73 3.62 -9.43 0.62 0
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414043 135086996 1 PO3H11C17 AB3C11D17 -77.58 4.79 -9.14 -1.26 0
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414044 135086997 1 NO2F3H12C13 AB2C3D12E13 -216.22 4.2 -9.13 -1.01 1
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414045 135086998 1 NPSO4C17H21 ABCD4E17F21 -139.37 5.51 0.0 0.0 0
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414046 135086999 1 PO3C20H27 AB3C20D27 -191.47 1.45 -8.98 0.42 0
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414047 135087000 4 OC4H5 AB4C5 -144.13 3.66 -9.24 -0.34 0
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414048 135087001 3 OC5H6 AB5C6 -121.63 3.65 -9.28 0.27 0
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414049 135087002 1 O3C17H22 A3B17C22 -132.77 3.22 -9.35 0.39 0
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414050 135087003 1 O4C17H22 A4B17C22 -168.18 2.74 -8.7 0.27 0
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414051 135087005 1 SF2O4H12C16 AB2C4D12E16 -198.69 6.37 -10.07 -1.43 0
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414052 135087006 1 NSO3C23H23 ABC3D23E23 -65.48 4.75 -9.24 -0.39 0
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414053 135087007 1 NSO3C20H25 ABC3D20E25 -110.24 4.96 -8.95 -0.53 0
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414054 135087008 1 NOC13H17 ABC13D17 -31.34 3.67 -8.37 0.42 0
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414055 135087009 1 NPO5C13H18 ABC5D13E18 -249.23 5.2 -9.34 0.09 0
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414056 135087010 1 ClO5C11H19 AB5C11D19 -246.13 4.04 -9.98 -0.03 0
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414057 135087011 1 NO2C13H21 AB2C13D21 -84.12 2.01 -10.71 -0.24 0
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414058 135087012 1 NO2C20H23 AB2C20D23 -51.4 3.25 -9.43 -0.22 0
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414059 135087013 1 SO3C16H16 AB3C16D16 -78.38 3.82 -9.36 -0.51 0
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414060 135087014 1 SO3C16H16 AB3C16D16 -76.13 8.53 -9.43 -0.62 0
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414061 135087015 1 SO3C17H18 AB3C17D18 -88.91 3.14 -9.27 -0.47 0
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414062 135087016 1 NO4C14H19 AB4C14D19 -107.62 3.08 -9.29 -0.27 0
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414063 135087017 1 NO4C20H23 AB4C20D23 -79.26 2.85 -9.52 -0.07 0
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414064 135087018 1 ClPO5C19H22 ABC5D19E22 -228.89 2.41 -9.42 -1.03 0
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414065 135087019 1 PO5C20H25 AB5C20D25 -228.39 5.12 -9.25 -0.46 0