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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402958 135058051 1 INSO5C19H20 ABCD5E19F20 -146.17 6.38 -9.78 -1.46 0
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402959 135058061 1 O7H26C29 A7B26C29 -198.37 3.59 -8.73 -0.45 4
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402961 135058081 1 SO2N6H24C30 AB2C6D24E30 103.38 6.08 -8.68 -0.72 0
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402962 135058082 1 SO2N6H26C31 AB2C6D26E31 93.49 6.88 -8.64 -0.68 0
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402963 135058084 1 N3O3H29C34 A3B3C29D34 91.09 3.67 -8.7 -1.26 0
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402964 135058095 1 NSiC25H35 ABC25D35 11.95 1.61 -9.12 0.32 0
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402965 135058097 1 S2N4O13C26H30 A2B4C13D26E30 -454.99 4.15 -9.39 -1.76 0
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402966 135058102 1 OSN6C23H28 ABC6D23E28 73.43 5.96 -8.45 -0.3 0
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402967 135058105 1 O2C23H28 A2B23C28 -59.2 2.28 -8.91 -0.2 0
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402968 135058110 2 OC5H5 AB5C5 -48.55 2.74 -8.63 -0.31 0
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402969 135058122 1 BrSN2O5C14H19 ABC2D5E14F19 -115.22 2.91 -10.26 -2.01 0
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402970 135058126 1 OPSN2C21H25 ABCD2E21F25 -5.71 3.05 -8.98 -0.35 0
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402971 135058127 1 OPSN2C18H19 ABCD2E18F19 6.61 5.09 -9.03 -0.82 0
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402972 135058128 1 PO2C21H23 AB2C21D23 -76.32 3.91 -8.84 -0.47 0
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402973 135058129 1 PO3S3H23C25 AB3C3D23E25 -59.31 5.79 -8.9 -1.23 0
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402974 135058130 1 PO2S3H21C24 AB2C3D21E24 -4.27 4.37 -9.0 -1.07 0
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402975 135058133 1 NOC18H19 ABC18D19 -14.37 3.98 -8.64 0.23 0
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402976 135058139 1 OSiC19H22 ABC19D22 -33.78 2.83 -9.01 -0.24 0
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402977 135058141 1 FOH15C16 ABC15D16 -52.34 2.95 -9.49 -0.44 0
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402978 135058143 1 NC15H25 AB15C25 -24.98 1.01 -9.42 0.21 0
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402979 135058145 1 NO2C20H21 AB2C20D21 -35.75 3.88 -8.1 0.29 0
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402980 135058150 1 OH16C19 AB16C19 18.21 1.49 -8.69 -0.07 0
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402981 135058151 2 F2H5C7 A2B5C7 -172.71 2.61 -9.49 -0.8 0
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402982 135058152 2 F2H5C7 A2B5C7 -170.5 4.6 -9.36 -0.84 0
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402983 135058153 1 NCl2H17C27 AB2C17D27 121.07 4.4 -8.97 -1.38 0
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402984 135058154 1 BrSN4O5C19H23 ABC4D5E19F23 -114.35 9.48 -8.33 -0.78 0
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402985 135058156 1 Br2O2C21H22 A2B2C21D22 -49.08 2.6 -9.57 -0.26 0
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402986 135058157 1 NSBr2F3O4H14C17 ABC2D3E4F14G17 -265.48 5.64 -9.73 -1.13 0
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402987 135058194 1 SiN2O2C21H28 AB2C2D21E28 -95.69 4.7 -8.75 -0.74 0
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402988 135058196 1 ClN2O3C15H21 AB2C3D15E21 -154.58 6.4 -8.91 -0.34 0
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402989 135058199 1 BClN2O2C15H22 ABC2D2E15F22 -133.52 6.71 -8.25 -0.21 0
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402990 135058202 1 BClNO2C21H21 ABCD2E21F21 -109.16 4.07 -8.6 -0.61 0
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402991 135058203 1 NB2O4C21H35 AB2C4D21E35 -329.18 3.63 -8.21 0.5 -1
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402992 135058205 1 BClNO3C15H20 ABCD3E15F20 -192.7 0.82 0.0 0.0 0
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402993 135058209 1 N3O4H21C22 A3B4C21D22 -47.39 8.66 -8.88 -1.7 0
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402994 135058223 1 NOSiC21H31 ABCD21E31 -13.95 4.02 -7.9 -0.23 0
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402995 135058225 1 O2N4C19H20 A2B4C19D20 49.0 6.02 -9.28 -1.5 0
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402996 135058227 1 ON4C12H14 AB4C12D14 43.04 3.84 -9.81 -0.42 0
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402997 135058228 1 ON4C19H20 AB4C19D20 69.43 3.45 -9.51 -0.27 0
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402998 135058229 1 ClO2F3N6H22C28 AB2C3D6E22F28 -76.42 7.64 -9.11 -1.36 0
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402999 135058230 1 ClFNO3H11C15 ABCD3E11F15 -127.07 4.1 -9.79 -1.54 0
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403000 135058238 1 BrFIH5C8 ABCD5E8 78.75 1.41 -10.14 -1.08 0
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403001 135058239 2 NC10H13 AB10C13 24.6 4.12 -9.28 -0.8 0
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403002 135058252 1 OSiC17H26 ABC17D26 -55.07 4.69 -9.46 -0.24 0
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403003 135058261 1 NSO3H11C16 ABC3D11E16 9.14 9.27 -8.81 -0.97 0
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403004 135058278 1 SO2H16C17 AB2C16D17 -24.44 2.62 -8.76 -0.42 0
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403005 135058280 1 NO2H23C24 AB2C23D24 -3.33 4.57 -8.79 -0.26 0
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403006 135058281 1 NO2C26H27 AB2C26D27 -22.62 2.44 -8.54 -0.28 0
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403007 135058285 1 NC17H21 AB17C21 23.88 1.21 -9.18 -0.34 0
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403008 135058292 2 NC11H16 AB11C16 1.35 2.99 -9.32 -0.29 0
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403009 135058295 1 ClS2O3N4H23C30 AB2C3D4E23F30 63.25 5.04 -8.41 -1.11 0
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403010 135058301 1 N2O2C15H18 A2B2C15D18 9.62 3.88 -9.45 -1.7 0
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403011 135058303 1 BrNO2H10C12 ABC2D10E12 -36.69 1.64 -10.32 -0.86 0
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403012 135058304 1 BrNSO2C21H34 ABCD2E21F34 -122.88 6.77 -9.13 -0.2 0
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403013 135058324 1 BrO8H23C24 AB8C23D24 -249.5 4.99 -8.99 -1.01 0
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403014 135058330 1 NO2C19H27 AB2C19D27 -97.37 4.8 -8.56 -0.2 0
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403015 135058335 1 N2O2F3C11H11 A2B2C3D11E11 -175.27 4.42 -9.35 -0.77 0
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403016 135058336 1 SN2O5H14C16 AB2C5D14E16 -82.39 5.36 -9.41 -1.98 0
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403017 135058340 1 BNO3C21H30 ABC3D21E30 -185.48 1.93 -8.93 -0.44 0
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403018 135058352 1 NO2C20H29 AB2C20D29 -101.47 1.85 -8.18 0.19 0
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403019 135058353 1 NO2C20H21 AB2C20D21 -46.09 4.04 -8.25 -0.26 0
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403020 135058354 1 ClNSF3O4H13C16 ABCD3E4F13G16 -259.67 5.72 -9.36 -1.12 0
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403021 135058355 1 NSF4O5H15C17 ABC4D5E15F17 -340.85 5.68 -9.4 -0.99 0
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403022 135058358 1 NSO3H19C24 ABC3D19E24 -16.92 2.36 -9.21 -1.03 0
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403023 135058359 1 ClNSiC12H15 ABCD12E15 26.68 4.91 0.0 0.0 0
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403024 135058360 1 NOC15H25 ABC15D25 -71.93 3.73 -9.29 1.31 0
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403025 135058378 1 NO3H17C20 AB3C17D20 -50.84 3.83 -8.33 -0.31 0
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403026 135058399 1 NH2Br3O3C6 AB2C3D3E6 0.88 0.66 -10.87 -2.78 0
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403028 135058410 1 ClNO4C16H20 ABC4D16E20 -163.33 5.37 -8.6 -0.91 0
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403029 135058416 1 FNOH16C17 ABCD16E17 -56.24 3.82 -8.98 -0.54 0
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403030 135058420 1 NOC25H33 ABC25D33 -19.61 2.97 -8.22 0.08 0
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403031 135058421 1 SN2C22H30 AB2C22D30 19.33 1.37 -8.77 -0.63 0
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403032 135058425 1 NOH21C22 ABC21D22 48.53 2.23 -8.75 -0.11 0
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403033 135058438 1 NOH13C16 ABC13D16 43.14 2.29 -9.02 -0.73 1
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403034 135058456 1 NOC20H26 ABC20D26 -19.3 3.31 0.0 0.0 0
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403035 135058462 1 BrNO2C13H14 ABC2D13E14 -58.24 6.75 -8.97 -0.62 0
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403036 135058478 1 BN2O2C15H21 AB2C2D15E21 -120.51 8.48 -8.31 -0.14 0
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403037 135058484 1 NSF3O3H10C11 ABC3D3E10F11 -245.12 6.3 -9.31 -1.29 0
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403038 135058486 1 NO2H15C17 AB2C15D17 3.88 5.08 -8.67 -0.82 0
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403039 135058488 1 NO3H15C17 AB3C15D17 -25.71 4.99 -8.45 -0.94 0
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403040 135058491 1 FNOC14H16 ABCD14E16 -79.88 3.79 -9.41 -0.62 0
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403041 135058494 1 ClNF2O3H18C19 ABC2D3E18F19 -212.74 3.29 -9.45 -1.11 0
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403042 135058497 1 NO5C14H15 AB5C14D15 -99.81 3.94 -9.86 -0.94 0
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403043 135058498 1 NF3O4H12C13 AB3C4D12E13 -220.79 6.94 -9.78 -0.94 0
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403044 135058507 1 NO4C15H15 AB4C15D15 -107.21 3.99 -9.22 -0.38 0
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403045 135058508 2 NOH8C9 ABC8D9 56.37 10.0 -8.91 -1.13 0
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403046 135058516 1 IS2O3H13C14 AB2C3D13E14 -37.9 6.09 -8.72 -1.23 0
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403047 135058517 1 N3H19C23 A3B19C23 145.34 4.93 -8.98 -0.26 0
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403048 135058518 1 ClN2O2H9C14 AB2C2D9E14 10.07 7.33 -8.65 -1.83 0
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403049 135058523 1 N5H13C18 A5B13C18 157.46 6.44 -9.69 -1.36 0
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403050 135058526 1 ClON3H10C15 ABC3D10E15 73.86 1.62 -9.46 -1.06 -4
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403052 135058536 1 FSP3N7O19C26H41 ABC3D7E19F26G41 -1049.57 6.27 -9.35 -0.89 0
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403053 135058537 1 SP3N7O18C30H42 AB3C7D18E30F42 -884.11 7.52 -9.25 -1.08 0
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403054 135058538 1 ClOSiC13H17 ABCD13E17 -41.6 2.44 -9.54 -0.52 0
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403055 135058540 1 BN2C32H33 AB2C32D33 43.96 5.9 -8.21 -0.56 0
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403056 135058546 1 NO3H21C24 AB3C21D24 -44.36 4.44 -8.48 -0.47 0
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403057 135058553 1 NO5H9C11 AB5C9D11 -19.19 3.84 -10.3 -1.74 0
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403058 135058559 1 PO3C15H19 AB3C15D19 -119.31 4.4 -9.04 -0.12 0
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403059 135058561 2 BrOH6C7 ABC6D7 11.8 8.81 -10.1 -1.06 0
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403060 135058562 2 OC11H15 AB11C15 -42.73 6.71 -9.89 -0.51 0