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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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