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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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124972 50905774 1 ClFN2O2H12C18 ABC2D2E12F18 -13.32 7.44 -9.02 -1.33 0
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124973 50905775 1 FN2O3H13C18 AB2C3D13E18 -44.85 5.5 -8.78 -1.3 0
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124974 50905776 1 ClN2O2H13C18 AB2C2D13E18 33.36 4.06 -8.99 -1.33 0
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124975 50905888 1 BrNO2C8H14 ABC2D8E14 -39.36 5.56 -10.77 -0.75 0
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124976 50905923 1 N13O16C69H121 A13B16C69D121 -807.46 3.04 -8.88 -0.07 0
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124977 50905960 1 Cl2N3O4C45H69 A2B3C4D45E69 -237.97 3.68 -8.35 -0.35 0
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124978 50905961 1 Cl2N5O5C32H43 A2B5C5D32E43 -208.01 3.58 -8.8 -0.44 0
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124979 50905998 1 O3N4C18H18 A3B4C18D18 -17.03 5.83 -9.15 -0.66 0
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124980 50906206 1 ClN2O5C22H25 AB2C5D22E25 -162.18 3.2 -8.76 -0.19 0
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124981 50906207 1 Cl3N3O3H18C19 A3B3C3D18E19 -88.5 4.0 -9.21 -0.75 0
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124982 50906233 1 N3O3C13H15 A3B3C13D15 -67.36 4.73 -8.78 -0.37 0
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124983 50906337 1 PO5C17H21 AB5C17D21 -243.95 2.81 -8.88 -0.44 0
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124984 50906338 1 PSO5C11H17 ABC5D11E17 -257.71 1.78 -9.09 -0.17 0
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124985 50906341 2 O7H15C18 A7B15C18 -461.14 2.53 -8.7 -1.22 0
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124986 50906366 1 SN3O4C35H47 AB3C4D35E47 -127.19 8.65 -8.89 -1.45 0
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124987 50906367 1 SN3O4C33H45 AB3C4D33E45 -125.8 8.97 -8.58 -1.56 0
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124988 50906368 1 SN3O4C36H49 AB3C4D36E49 -132.48 7.42 -8.81 -1.54 0
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124989 50906488 1 ClO2S2N3H16C17 AB2C2D3E16F17 -2.26 5.21 -8.89 -1.39 1
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124990 50906494 1 SN2O11C66H77 AB2C11D66E77 -301.89 6.36 0.0 0.0 0
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124991 50906592 1 O25C59H80 A25B59C80 -1108.51 1.05 -9.0 -1.34 0
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124992 50906593 2 O13C28H40 A13B28C40 -1159.97 2.95 -8.88 -1.23 0
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124993 50906599 1 FON2C19H19 ABC2D19E19 -57.6 4.16 -8.54 -0.86 0
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124994 50906682 1 Cl2O3H22C24 A2B3C22D24 -54.44 4.91 -8.95 -0.72 0
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124995 50906696 1 NO2H23C25 AB2C23D25 -4.44 3.67 -8.2 -0.34 0
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124996 50906697 1 ON3C21H23 AB3C21D23 13.23 1.07 -7.95 -0.04 0
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124997 50906782 1 ON7C16H17 AB7C16D17 100.82 8.38 -8.65 -1.41 0
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124998 50906886 1 NSSiO8C23H39 ABCD8E23F39 -397.48 7.46 -8.73 -0.6 0
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124999 50906894 1 NO3C25H35 AB3C25D35 -92.66 3.05 -8.65 0.21 0
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125000 50906895 1 SO12C56H62 AB12C56D62 -338.64 3.42 -8.99 -0.16 0
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125001 50907132 2 O4C17H24 A4B17C24 -348.13 6.53 -9.16 -0.41 0
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125002 50907133 2 O5C17H24 A5B17C24 -346.79 4.35 -9.61 -0.57 0
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125004 50907148 1 SiO3C24H26 AB3C24D26 -100.9 5.61 -8.96 -0.11 0
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125005 50907149 1 O3C20H30 A3B20C30 -127.15 2.68 -9.32 0.41 0
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125006 50907150 1 BrO3H11C12 AB3C11D12 -44.16 1.61 -9.68 -1.08 0
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125007 50907241 1 INO2C8H8 ABC2D8E8 -40.4 5.19 -9.08 -1.04 0
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125008 50907270 1 ClO2H11C16 AB2C11D16 -5.82 0.96 -9.94 -1.38 0
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125009 50907271 2 ClOH5C8 ABC5D8 -14.06 3.23 -10.07 -1.25 0
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125010 50907272 1 ON2Cl4C30H36 AB2C4D30E36 -41.1 2.73 -8.29 -0.4 0
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125011 50907273 1 SO4H20C24 AB4C20D24 -50.32 4.69 -8.55 -1.16 0
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125012 50907274 1 FSO4H19C24 ABC4D19E24 -101.16 2.59 -8.73 -1.11 0
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125013 50907284 1 O3N4C13H14 A3B4C13D14 -49.63 4.03 -10.11 -0.85 0
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125014 50907285 1 O3N4C13H14 A3B4C13D14 -50.62 2.78 -10.06 -0.88 0
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125015 50907349 8 H3C5 A3B5 165.2 0.54 -8.13 -1.14 0
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125016 50907372 1 FNO4C26H32 ABC4D26E32 -196.89 2.83 -9.51 -1.4 0
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125017 50907390 2 FON2C17H19 ABC2D17E19 -98.75 4.1 -8.11 -1.07 0
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125018 50907391 1 PN3O6C28H52 AB3C6D28E52 -343.63 6.39 -9.55 -0.39 0
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125019 50907430 1 ClO2N5C21H28 AB2C5D21E28 -51.61 2.76 -8.74 -0.94 0
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125020 50907463 1 ClON6C18H19 ABC6D18E19 59.69 6.25 -8.73 -1.12 0
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125021 50907574 1 O2C17H22 A2B17C22 -93.54 2.38 -8.57 -0.47 0
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125022 50907606 2 FON2H13C15 ABC2D13E15 -44.88 3.67 -8.8 -1.45 0
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125023 50907613 1 O7C25H28 A7B25C28 -209.65 5.6 -8.61 -0.04 0
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125024 50907648 1 N2O3H18C22 A2B3C18D22 -23.62 6.61 -8.31 -1.24 0
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125025 50907692 1 ClNS2O4H14C21 ABC2D4E14F21 -56.93 5.93 -9.32 -2.12 0
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125026 50907693 1 SO5H24C26 AB5C24D26 -102.33 2.3 -8.45 -0.93 0
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125027 50907694 1 NSO4H21C24 ABC4D21E24 -49.46 3.59 -8.14 -0.97 0
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125028 50907695 1 ClNSO4H20C24 ABCD4E20F24 -64.31 3.41 -8.24 -1.18 0
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125029 50907696 1 NSO4H23C25 ABC4D23E25 -64.99 5.87 -8.06 -0.91 0
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125030 50907697 1 NSO5H23C25 ABC5D23E25 -97.85 4.57 -7.95 -0.8 0
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125031 50907698 1 NSO5H25C26 ABC5D25E26 -104.88 4.6 -7.94 -0.79 0
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125032 50907699 1 BrO2N4H13C19 AB2C4D13E19 49.77 5.55 -9.12 -1.81 0
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125033 50907700 2 ON2H8C10 AB2C8D10 37.11 7.28 -9.05 -1.64 0
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125034 50907701 1 O3N4H18C25 A3B4C18D25 38.63 2.3 -8.86 -1.71 0
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125035 50907702 1 BrFN6H16C25 ABC6D16E25 133.72 6.08 -9.02 -1.66 0
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125036 50907751 1 N3O4C24H27 A3B4C24D27 -104.66 5.47 -8.56 -0.96 0
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125037 50907803 1 SeO2N5H15C19 AB2C5D15E19 36.64 4.76 -8.65 -1.6 0
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125039 50907805 1 SeO2N5H15C19 AB2C5D15E19 34.49 7.36 -8.51 -1.46 0
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125041 50907843 1 O2Cl3N3H22C24 A2B3C3D22E24 -18.22 4.52 -9.35 -1.31 0
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125042 50907844 1 O2Cl3N3H20C23 A2B3C3D20E23 -15.38 3.72 -9.34 -1.28 0
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125043 50907845 1 O2Cl3N3H18C22 A2B3C3D18E22 -8.21 5.03 -9.35 -1.34 0
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125044 50907903 1 Cl2O2N4H14C19 A2B2C4D14E19 19.75 8.41 -9.28 -1.58 0
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125045 50907978 1 O7C21H34 A7B21C34 -292.74 2.43 -9.14 0.23 0
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125046 50907979 1 O7C21H30 A7B21C30 -270.17 3.42 -9.55 0.09 0
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125047 50907980 2 OC12H15 AB12C15 -45.52 2.71 -9.24 0.28 0
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125048 50908029 1 O7C29H38 A7B29C38 -307.5 8.34 -9.88 -1.03 0
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125049 50908111 1 O4C23H38 A4B23C38 -225.61 4.01 -9.69 0.16 0
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125050 50908112 1 O5C19H20 A5B19C20 -183.88 9.95 -9.06 -0.96 0
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125051 50908113 1 O5C18H18 A5B18C18 -175.43 8.42 -9.12 -1.01 0
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125052 50908225 1 ClSN2F3O3C14H16 ABC2D3E3F14G16 -214.09 15.61 -10.07 -2.36 1
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125053 50908226 1 ClN2C13H16 AB2C13D16 34.58 4.67 0.0 0.0 0
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125054 50908227 1 ClSN2F3O3C16H20 ABC2D3E3F16G20 -236.15 6.18 -8.77 -1.12 0
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125055 50908253 1 N2O4C13H16 A2B4C13D16 -136.29 2.17 -9.6 -0.01 0
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125056 50908254 1 N3O4C17H25 A3B4C17D25 -149.72 1.66 -9.5 -0.06 0
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125057 50908255 1 FNO4C24H28 ABC4D24E28 -173.83 4.49 -9.27 -0.92 0
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125058 50908296 1 N2S2O4H10C11 A2B2C4D10E11 -101.1 11.33 -9.47 -1.21 0
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125059 50908336 1 NSO6C33H39 ABC6D33E39 -204.38 3.27 -8.26 -0.57 0
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125060 50908337 1 NO6C27H35 AB6C27D35 -236.42 8.43 -8.52 -0.07 0
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125061 50908411 1 Cl2N4O7C15H16 A2B4C7D15E16 -244.21 7.79 -10.03 -1.57 0
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125062 50908412 1 ClN5O9C19H22 AB5C9D19E22 -344.06 4.48 -9.05 -0.61 0
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125063 50908500 4 O3C9H14 A3B9C14 -533.93 5.86 -8.83 -0.51 0
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125064 50908501 1 ON2C26H30 AB2C26D30 66.71 4.74 -8.4 -0.02 0
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125065 50908550 1 OF3N5H12C17 AB3C5D12E17 -61.18 2.63 -8.8 -0.94 0
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125066 50908660 1 CuN2O2S2H32C34 AB2C2D2E32F34 138.12 4.53 0.0 0.0 0
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125067 50908661 1 ZnS2N4O4H26C32 AB2C4D4E26F32 136.02 8.24 -8.12 -2.35 0
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125068 50908662 1 IOsPN4F6C23H28 ABCD4E6F23G28 -357.5 7.13 -8.5 -3.08 0
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125069 50908697 1 NO2S2H11C12 AB2C2D11E12 -11.39 5.31 -9.24 -1.2 0
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125070 50908748 1 F2N3O3C20H23 A2B3C3D20E23 -166.48 9.61 -9.11 -1.15 0
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125071 50908749 1 F2N3O3C20H23 A2B3C3D20E23 -167.49 13.02 -8.92 -0.99 0
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125072 50908932 1 O5C24H38 A5B24C38 -283.88 10.05 -10.24 0.14 0
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125074 50909046 1 NO10C28H31 AB10C28D31 -397.81 2.4 -9.11 -1.93 0
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125075 50909091 1 HgNO6H8C9 ABC6D8E9 -109.71 6.74 0.0 0.0 0