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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403982 135063953 1 NO2C21H25 AB2C21D25 -34.8 5.55 -9.49 0.0 0
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403983 135063956 2 NO2C9H17 AB2C9D17 -247.2 3.17 -8.9 0.09 0
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403984 135063960 1 N2O2C21H22 A2B2C21D22 -44.34 4.84 -8.09 -1.5 0
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403985 135063961 1 OC24H46 AB24C46 -138.34 1.91 -9.64 2.31 0
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403986 135063962 1 ClON2H19C22 ABC2D19E22 37.07 4.22 -8.88 -0.89 0
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403987 135063963 1 NSO2C22H29 ABC2D22E29 -75.89 5.66 -8.91 -0.44 0
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403988 135063966 1 O4C17H22 A4B17C22 -130.64 3.35 -9.65 0.08 0
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403990 135064086 1 O2N3H15C19 A2B3C15D19 31.85 6.71 -9.5 -0.82 0
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403991 135064095 1 N3O4H11C12 A3B4C11D12 -22.08 7.02 -9.8 -1.75 0
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403992 135064097 1 N5H15C16 A5B15C16 145.54 3.56 -9.24 -0.6 0
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403993 135064098 1 N2O2F3H11C12 A2B2C3D11E12 -192.73 8.64 -9.47 -0.91 0
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403994 135064099 1 N2O2F8H12C15 A2B2C8D12E15 -432.07 9.69 -9.54 -0.91 0
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403995 135064100 1 SSiN2O3C18H26 ABC2D3E18F26 -103.12 4.01 -8.91 -0.43 0
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403996 135064166 1 SiN2O6C16H26 AB2C6D16E26 -212.9 8.26 -9.65 -1.04 0
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403997 135064168 1 N2S2O3C14H16 A2B2C3D14E16 -72.39 2.61 -8.66 -0.58 4
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403998 135064207 1 ZnS4N12H40C56 AB4C12D40E56 645.64 17.16 -6.65 -1.75 0
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403999 135064208 2 O3C29H53 A3B29C53 -454.71 2.21 -9.46 0.63 0
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404000 135064223 1 BrFNO3C10H11 ABCD3E10F11 -151.34 0.69 -10.09 -0.9 0
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404001 135064231 1 BrZnN8H43C50 ABC8D43E50 351.83 3.86 -8.96 -1.88 0
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404002 135064232 1 BrN8H45C50 AB8C45D50 454.0 8.8 -7.32 -1.52 0
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404003 135064234 1 ON9H47C52 AB9C47D52 216.34 8.24 -7.55 -2.07 0
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404004 135064235 1 OZnN9H45C47 ABC9D45E47 323.82 8.51 -7.91 -2.27 0
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404005 135064236 1 ON9C47H47 AB9C47D47 149.32 8.55 -7.52 -2.05 -1
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404008 135064368 1 BSiO2F3C19H29 ABC2D3E19F29 -326.61 6.61 0.0 0.0 0
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404009 135064369 1 BFSiO2C18H29 ABCD2E18F29 -209.69 5.24 0.0 0.0 0
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404010 135064370 1 BrINO3H9C10 ABCD3E9F10 -22.85 4.47 -9.51 -2.35 0
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404011 135064373 1 NSC19H27 ABC19D27 7.16 0.64 -9.03 -0.76 0
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404012 135064374 1 N2O3H22C24 A2B3C22D24 13.58 6.79 -8.7 -1.11 0
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404013 135064375 1 O5C13H16 A5B13C16 -208.34 1.96 -9.99 -0.3 0
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404014 135064376 1 O5C14H18 A5B14C18 -203.59 1.38 -9.66 0.08 0
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404015 135064377 2 NSO2H8C10 ABC2D8E10 -38.55 12.16 -9.97 -1.09 0
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404016 135064490 1 PSN2O3C11H15 ABC2D3E11F15 -124.39 2.54 -8.71 -0.3 0
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404017 135064495 1 N2O4S4H12C13 A2B4C4D12E13 -70.62 6.61 -9.09 -0.86 0
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404018 135064498 1 N3O4C21H27 A3B4C21D27 -132.44 4.25 -9.2 -0.65 0
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404019 135064506 1 FN2O2H21C25 AB2C2D21E25 -26.85 2.27 -9.2 -0.49 0
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404020 135064510 2 NH10C13 AB10C13 127.69 3.18 -8.55 -0.46 0
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404021 135064513 1 BrON2H13C16 ABC2D13E16 57.49 0.65 -8.43 -0.85 0
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404022 135064514 1 BrN2H13C16 AB2C13D16 88.57 1.72 -8.61 -0.86 0
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404023 135064517 3 NC4H7 AB4C7 10.02 3.24 -8.44 1.09 0
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404024 135064518 1 ON3H15C18 AB3C15D18 79.64 4.0 -8.43 -1.04 0
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404025 135064520 1 ON2H16C19 AB2C16D19 64.7 5.38 -8.72 -0.88 0
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404026 135064626 1 ClNPO2C22H23 ABCD2E22F23 -67.57 5.02 -9.18 -0.19 0
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404027 135064631 1 PN2O5C24H25 AB2C5D24E25 -195.03 5.16 -9.14 -0.29 0
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404028 135064638 1 NO2H19C20 AB2C19D20 1.75 5.51 -9.02 -0.04 0
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404029 135064639 1 NOSiC9H17 ABCD9E17 -55.72 4.29 -9.74 0.64 0
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404030 135064640 1 SC17H30 AB17C30 -23.4 1.83 -8.25 0.47 0
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404031 135064643 1 NO3C16H25 AB3C16D25 -148.47 2.63 -9.41 0.31 0
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404032 135064644 1 NO4C27H27 AB4C27D27 -120.54 2.23 -8.78 -0.34 0
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404033 135064645 2 O2C7H9 A2B7C9 -144.3 1.67 -8.97 0.1 0
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404034 135064646 1 O2C11H22 A2B11C22 -111.24 2.9 -10.06 2.32 0
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404035 135064648 1 SO4C16H18 AB4C16D18 -128.72 4.82 -8.75 -0.27 0
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404036 135064680 1 BrNO3C19H22 ABC3D19E22 -98.93 3.42 -8.4 -0.29 0
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404037 135064681 1 NPO3C23H28 ABC3D23E28 -114.91 9.32 -9.52 -0.69 0
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404038 135064682 1 ClNSO3C21H28 ABCD3E21F28 -123.95 6.02 -9.43 -0.6 0
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404039 135064683 1 BrFN2O6C26H36 ABC2D6E26F36 -319.1 3.69 -9.83 -0.66 0
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404040 135064685 1 ClNSO4C24H32 ABCD4E24F32 -167.11 7.26 -9.72 -0.63 0
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404041 135064726 1 NO4C14H25 AB4C14D25 -210.64 3.89 -9.88 -0.39 0
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404042 135064788 1 ClSO4C14H19 ABC4D14E19 -175.97 4.02 -10.27 -0.63 0
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404043 135064800 1 SC23H32 AB23C32 25.68 2.12 -8.35 0.18 0
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404044 135064801 1 SC20H26 AB20C26 39.28 1.93 -8.13 0.0 0
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404045 135064802 1 N3H19C24 A3B19C24 185.23 4.71 -9.04 -0.73 0
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404046 135064803 2 OSiC18H23 ABC18D23 -119.54 1.78 -8.92 0.09 0
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404047 135064804 1 Cl2O3C15H16 A2B3C15D16 -111.54 2.79 -10.02 -2.41 0
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404048 135064805 1 ClO3H15C17 AB3C15D17 -76.31 2.45 -9.91 -1.77 0
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404049 135064806 1 OSi2C29H48 AB2C29D48 -40.38 2.6 -9.07 0.35 0
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404050 135064807 1 N2O5C10H12 A2B5C10D12 -135.47 2.73 -9.86 -1.33 1
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404051 135064808 1 N2O5C10H13 A2B5C10D13 -138.81 0.64 0.0 0.0 0
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404052 135064809 2 NO2C6H6 AB2C6D6 -80.35 1.66 -9.42 -1.06 1
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404053 135064810 1 N2O4C12H13 A2B4C12D13 -84.36 2.59 0.0 0.0 0
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404054 135064811 1 O4H20C21 A4B20C21 -88.1 3.83 -8.04 -0.24 0
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404055 135064812 1 PO2C22H29 AB2C22D29 -102.06 4.01 -9.21 -0.23 0
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404056 135064813 1 OSF3C11H13 ABC3D11E13 -209.09 3.43 -9.32 -1.18 0
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404057 135064814 1 N3H23C27 A3B23C27 177.18 0.18 -8.72 -0.58 0
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404058 135064815 1 N3H23C27 A3B23C27 172.93 4.77 -8.72 -0.71 0
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404059 135064816 1 NO2C22H25 AB2C22D25 -25.44 2.36 -9.09 0.13 0
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404060 135064817 3 OPH15C20 ABC15D20 86.35 8.19 -8.71 -0.3 0
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404061 135064818 1 ClSiN3H22C24 ABC3D22E24 118.18 3.31 -8.93 -0.72 0
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404062 135064819 1 PSiN4O13C50H61 ABC4D13E50F61 -551.43 7.07 -8.76 -0.45 0
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404063 135064820 1 PSiN4O13C50H61 ABC4D13E50F61 -553.34 11.57 -8.89 -0.48 0
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404064 135064821 1 SiO4C24H36 AB4C24D36 -140.83 3.34 -9.03 -0.44 0
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404065 135064822 1 PO3C10H19 AB3C10D19 -181.95 4.01 -9.69 0.62 0
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404066 135064823 1 NO3C20H25 AB3C20D25 -107.69 4.78 -9.11 0.13 0
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404067 135064824 1 NO2C16H19 AB2C16D19 -34.92 5.78 -9.26 0.22 0
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404068 135064825 1 NO2C18H21 AB2C18D21 -24.07 6.31 -9.21 0.19 0
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404069 135064826 1 SF3H9C12 AB3C9D12 -66.95 3.45 -8.73 -0.88 0
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404070 135064827 1 SO3N6H8C9 AB3C6D8E9 63.72 4.59 -9.57 -1.42 0
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404071 135064828 2 NOH5C6 ABC5D6 -7.78 3.63 -8.8 -0.79 0
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404073 135064830 2 O2N4H19C36 A2B4C19D36 1028.14 16.79 -6.87 -3.16 0
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404074 135064832 1 NO2H25C26 AB2C25D26 -9.02 3.07 -7.72 -0.77 0
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404075 135064833 1 ClO2C13H23 AB2C13D23 -146.43 3.17 -9.86 0.71 0
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404076 135064834 1 NO2C18H21 AB2C18D21 -52.99 3.62 -9.12 0.12 0
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404077 135064835 1 IN3O4C26H28 AB3C4D26E28 -107.02 5.49 -8.81 -1.02 0
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404078 135064836 1 N3O4C26H29 A3B4C26D29 -127.83 3.01 -8.86 -0.41 0
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404079 135064850 1 ClSO3H13C14 ABC3D13E14 -89.66 5.0 -9.84 -0.58 0
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404080 135064939 1 BrNSO3H24C28 ABCD3E24F28 -20.55 5.22 -9.25 -0.56 0
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404081 135064940 1 NO4C17H25 AB4C17D25 -171.62 3.08 -9.46 0.07 0
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404082 135064941 1 NO3C18H27 AB3C18D27 -146.79 4.05 -9.29 0.26 0
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404083 135064942 1 SN2O8C26H26 AB2C8D26E26 -192.53 3.29 -9.37 -2.08 0
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404084 135064943 1 ClN2O2C25H31 AB2C2D25E31 -64.34 6.7 -8.48 -0.06 0
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404085 135064944 1 NF2O3C21H23 AB2C3D21E23 -205.13 5.07 -9.46 -0.42 0