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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22958 600129 1 ION4H11C14 ABC4D11E14 87.47 4.73 -8.93 -0.86 0
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22959 600132 1 NS2C7H13 AB2C7D13 -7.12 3.39 -9.04 -0.08 0
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22960 600136 1 OCl2N4H10C14 AB2C4D10E14 54.65 5.06 -9.29 -0.48 0
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22961 600139 1 ClNOF2C14H16 ABCD2E14F16 -139.71 4.34 -9.56 -0.89 0
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22962 600141 1 FON4H11C14 ABC4D11E14 23.01 4.53 -9.2 -0.28 0
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22963 600142 2 OC8H13 AB8C13 -116.22 2.02 -9.07 0.96 0
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22964 600161 1 P2O5C18H36 A2B5C18D36 -408.26 2.64 -10.2 0.72 0
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22965 600187 1 O3N4C26H32 A3B4C26D32 -86.36 3.35 -8.12 -0.66 0
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22966 600242 1 ClN2O2H9C10 AB2C2D9E10 -48.16 8.54 -9.14 -1.22 0
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22967 600368 1 ClO2N3C22H28 AB2C3D22E28 -44.29 6.17 -7.9 -0.6 0
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22968 600369 1 NO2C16H19 AB2C16D19 -64.44 2.7 -9.16 -0.19 0
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22969 600370 1 O4C15H18 A4B15C18 -165.11 1.07 -9.28 0.28 0
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22970 600371 3 C5H8 A5B8 -17.95 0.57 -9.08 1.49 0
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22971 600397 1 O2C15H20 A2B15C20 -65.68 3.28 -8.89 -0.32 0
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22972 600446 1 O2N4H14C15 A2B4C14D15 30.13 4.62 -8.95 -0.07 0
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22973 600469 2 ClNC3H3 ABC3D3 21.3 1.56 -9.19 -0.56 0
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22974 600471 1 N2O3C17H22 A2B3C17D22 -132.11 0.63 -8.69 -0.57 0
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22975 600472 1 BC12H21 AB12C21 -56.32 0.26 -9.33 0.79 0
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22976 600474 1 ON4C8H8 AB4C8D8 27.63 9.83 -9.52 -1.63 0
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22977 600535 1 NO3C14H19 AB3C14D19 -108.18 1.64 -8.99 -0.02 0
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22978 600537 1 ON2C16H22 AB2C16D22 13.31 1.95 -8.24 0.52 0
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22979 600620 1 ON2C10H12 AB2C10D12 27.61 2.72 -9.19 -0.58 0
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22980 600623 1 O3H8C10 A3B8C10 -92.03 6.11 -8.95 -0.31 0
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22981 600624 1 O4C13H16 A4B13C16 -136.26 4.19 -9.98 -0.13 0
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22982 600650 1 N2C11H16 A2B11C16 35.89 3.44 -8.45 -0.01 0
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22983 600655 2 ClNOSC8H15 ABCDE8F15 -155.05 7.81 -8.82 -1.06 0
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22984 600656 1 OSeN2C4H4 ABC2D4E4 0.01 5.94 -9.35 -0.95 0
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22985 600657 1 N5O7C23H23 A5B7C23D23 -19.64 4.9 -8.75 -2.12 0
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22986 600664 2 NO2C6H6 AB2C6D6 -113.25 7.25 -8.77 -1.24 0
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22987 600671 2 O2C7H7 A2B7C7 -148.85 6.58 -9.14 -1.03 0
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22988 600685 1 NOC21H29 ABC21D29 -38.37 3.75 -8.92 -0.57 0
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22989 600687 1 BrSN2O2H13C16 ABC2D2E13F16 0.27 3.89 -8.74 -0.84 0
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22990 600707 1 NO2C11H13 AB2C11D13 -71.54 4.63 -8.93 -0.07 0
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22991 600721 1 O2N3H23C25 A2B3C23D25 65.29 6.54 -8.6 -0.44 0
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22992 600739 1 SO6N7C40H49 AB6C7D40E49 -179.48 4.45 -8.34 -0.33 0
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22993 600741 1 OCl2H8C15 AB2C8D15 16.24 1.96 -8.96 -1.88 0
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22994 600742 1 BrO5H19C22 AB5C19D22 -157.44 2.76 -9.26 -1.33 0
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22995 600743 1 BrOH9C15 ABC9D15 39.89 2.46 -8.83 -1.78 0
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22996 600744 1 BrO3C32H51 AB3C32D51 -199.7 6.09 -8.98 -0.1 0
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22997 600745 1 FeC18H26 AB18C26 125.35 3.49 -7.11 1.33 -10
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22998 600746 1 C9H14 A9B14 -7.35 0.91 -8.43 0.81 -4
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22999 600747 1 SN2O3H14C15 AB2C3D14E15 -52.82 4.18 -9.21 -1.12 0
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23000 600748 1 FNSO3H12C16 ABCD3E12F16 -98.07 3.51 -9.0 -0.72 0
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23001 600749 1 N2O5H12C17 A2B5C12D17 -118.93 4.3 -9.37 -1.33 0
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23002 600751 2 OH2F7C10 AB2C7D10 -602.77 1.04 -9.98 -1.94 0
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23003 600753 1 IH2C8F13 AB2C8D13 -630.22 2.0 -10.4 -1.74 0
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23004 600754 1 O3C11H12 A3B11C12 -76.15 4.32 -8.96 -0.7 0
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23005 600755 1 OSN3C17H21 ABC3D17E21 14.22 3.72 -8.09 -0.71 0
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23006 600802 1 O2N3H7C8 A2B3C7D8 -52.66 3.82 -9.54 -1.41 0
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23007 600871 1 OSN2C12H14 ABC2D12E14 6.75 5.36 -8.73 -0.89 0
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23008 600872 1 O2C21H34 A2B21C34 -140.28 1.92 -9.29 0.91 0
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23009 600873 2 C7H12 A7B12 -60.96 0.14 -9.96 3.89 0
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23010 600874 1 ClO4C19H19 AB4C19D19 -131.3 3.92 -9.3 -0.99 0
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23011 600875 1 ClNO2C17H18 ABC2D17E18 -36.67 5.86 -8.57 -0.49 0
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23012 600876 1 O6H40C43 A6B40C43 -135.98 6.67 -8.58 -0.55 0
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23013 600877 1 NO4C19H21 AB4C19D21 -134.41 3.96 -9.02 -0.58 0
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23014 600878 1 FeCl2P2C10H24 AB2C2D10E24 -152.59 11.5 -9.03 -0.46 0
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23015 600879 1 ClNO2C19H22 ABC2D19E22 -70.2 2.73 -9.17 -0.21 0
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23016 600880 1 O2C13H18 A2B13C18 -46.62 2.08 -8.72 0.24 0
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23017 600882 1 N2O3C19H22 A2B3C19D22 -100.79 6.16 -8.24 -0.3 0
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23018 600883 1 N2S2H14C15 A2B2C14D15 75.52 5.21 -8.84 -0.76 0
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23019 600884 1 NS2H13C19 AB2C13D19 107.31 2.99 -8.6 -0.97 0
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23020 600885 1 BClO2C10H14 ABC2D10E14 -128.18 1.93 -9.53 -0.61 0
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23021 600886 1 O3C14H16 A3B14C16 -86.85 4.56 -9.95 -0.44 0
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23022 600889 2 O2C6H7 A2B6C7 -166.56 4.34 -10.34 -0.71 0
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23023 600921 1 FeO2F3H7C13 AB2C3D7E13 -51.99 2.82 -8.43 -0.31 -6
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23024 600937 2 C7H12 A7B12 -32.46 0.08 -8.63 1.58 0
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23025 600941 1 OSN2C10H12 ABC2D10E12 -11.03 3.16 -8.65 -0.48 0
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23026 600973 4 OC3H4 AB3C4 -165.78 1.07 -9.24 -0.41 0
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23027 600984 1 SN2C10H12 AB2C10D12 53.45 2.47 -8.85 -0.38 0
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23028 600997 1 ClOC12H17 ABC12D17 -60.25 1.62 -8.89 0.01 0
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23029 601000 1 Cl3C13H15 A3B13C15 -23.78 1.19 -9.28 -0.39 0
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23030 601016 1 OSC14H18 ABC14D18 -20.41 2.2 -8.81 -0.86 0
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23031 601090 2 O3C7H8 A3B7C8 -245.53 3.28 -9.26 -0.13 0
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23032 601158 1 NSO4H9C12 ABC4D9E12 -104.54 2.8 -9.09 -1.34 0
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23033 601159 1 ClN2H7C9 AB2C7D9 52.5 3.13 -8.86 -0.18 0
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23034 601192 1 SiO2C11H14 AB2C11D14 -83.6 6.22 -9.7 -0.68 0
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23035 601207 1 O3C10H10 A3B10C10 -110.88 6.24 -8.91 -0.66 0
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23036 601280 1 SO2H6C9 AB2C6D9 -40.44 5.15 -9.29 -1.16 0
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23037 601287 2 OC12H17 AB12C17 -100.69 2.05 -8.51 0.33 0
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23038 601294 1 SSeC5H6 ABC5D6 37.48 1.38 -8.52 -0.38 0
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23039 601300 1 SiO2C11H14 AB2C11D14 -83.92 5.58 -9.63 -0.56 0
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23040 601307 1 OC15H24 AB15C24 -69.33 3.78 -9.41 0.88 0
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23041 601308 1 OSC12H18 ABC12D18 -41.73 3.63 -8.67 -0.2 0
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23042 601310 2 OH12C15 AB12C15 9.49 1.81 -8.46 -0.23 0
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23043 601311 2 H6C7 A6B7 140.23 0.29 -8.79 0.17 0
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23044 601312 1 N2O4H16C19 A2B4C16D19 -118.77 1.96 -8.93 -0.72 0
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23045 601313 1 O3H24C34 A3B24C34 56.1 5.27 -9.1 -0.72 0
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23046 601334 1 OSN2C18H20 ABC2D18E20 18.07 2.05 -8.36 -0.09 0
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23047 601342 1 N2O7C36H40 A2B7C36D40 -271.63 1.9 -8.78 -0.33 0
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23048 601348 2 H5C8 A5B8 282.11 0.01 -8.97 -1.25 -4
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23049 601365 1 NO4H17C25 AB4C17D25 -88.09 1.61 -9.52 -0.84 0
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23051 601388 4 H4C5 A4B5 64.33 0.37 -9.07 0.26 0
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23052 601389 1 BrH11C14 AB11C14 61.69 2.1 -9.0 -0.65 0
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23053 601471 1 N2O5H10C15 A2B5C10D15 1.32 9.68 -10.85 -1.76 0
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23055 601475 2 H5C7 A5B7 59.49 0.0 -8.37 -0.96 -4
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23056 601477 1 ClN6C14H17 AB6C14D17 67.58 4.27 -8.68 -0.43 0
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23057 601478 1 N2O2F4H12C13 A2B2C4D12E13 -246.56 5.91 -8.83 -0.66 0
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23058 601482 1 ClN2O3H15C18 AB2C3D15E18 -19.0 6.05 -8.97 -0.72 0
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23059 601483 1 SF3N3O3C15H16 AB3C3D3E15F16 -238.16 6.05 -9.09 -0.96 0