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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379975 134964417 1 NO3C14H17 AB3C14D17 -116.23 2.74 -9.72 -0.11 0
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379976 134964418 1 NSH9C15 ABC9D15 133.55 1.65 -9.0 -1.11 0
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379977 134964419 1 OC14H20 AB14C20 -59.86 3.1 -9.66 0.83 0
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379978 134964420 6 H2C3 A2B3 109.92 2.12 -8.1 -0.73 0
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379979 134964422 1 ON2H8C14 AB2C8D14 67.65 6.93 -9.12 -1.54 0
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379980 134964423 1 SO3C16H16 AB3C16D16 -63.77 5.49 -8.82 -0.35 0
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379981 134964424 1 NpSiO2C13H19 ABC2D13E19 -456.65 3.41 0.0 0.0 0
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379982 134964425 1 SiO2C13H19 AB2C13D19 -68.63 2.77 0.0 0.0 0
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379983 134964427 1 NO3C13H15 AB3C13D15 -30.15 4.32 -9.38 -0.46 0
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379984 134964428 1 NO3C12H21 AB3C12D21 -127.88 4.41 -9.24 0.78 0
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379985 134964429 2 OC5H7 AB5C7 -84.0 1.4 -9.93 0.78 0
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379986 134964430 1 OC14H14 AB14C14 25.6 3.17 -9.5 0.12 0
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379987 134964431 1 O3C16H22 A3B16C22 -133.66 3.06 -9.49 -0.21 0
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379988 134964433 1 NOC17H21 ABC17D21 -23.5 0.82 -9.05 0.06 0
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379989 134964435 1 ClNF3H11C14 ABC3D11E14 -120.33 3.81 -9.64 -1.0 0
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379990 134964436 1 O4C13H24 A4B13C24 -206.58 3.51 -9.48 0.96 0
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379991 134964437 1 NOH13C14 ABC13D14 21.29 3.99 -9.05 -0.34 0
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379992 134964438 1 NC18H27 AB18C27 -15.35 1.5 -8.47 0.52 0
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379993 134964439 1 NSO3C9H19 ABC3D9E19 -140.11 3.8 -9.61 0.4 0
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379994 134964443 1 NC15H21 AB15C21 -2.65 2.33 -8.09 0.59 0
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379995 134964445 1 FNSO2C15H22 ABCD2E15F22 -135.88 7.15 -9.25 -0.34 1
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379996 134964446 1 BrPO2C8H9 ABC2D8E9 -65.56 1.83 0.0 0.0 0
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379998 134964456 1 NPO4C8H18 ABC4D8E18 -262.07 3.82 -9.55 0.95 0
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379999 134964460 2 SSbH5C6 ABC5D6 105.3 1.76 -8.19 -0.8 1
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380000 134964463 1 NC16H22 AB16C22 37.46 2.02 0.0 0.0 0
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380001 134964464 1 NO3C16H23 AB3C16D23 -65.71 5.71 -9.75 -0.42 0
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380002 134964467 1 SiBr2S2H8C10 AB2C2D8E10 49.82 3.87 -8.57 -0.8 0
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380003 134964468 1 OC17H28 AB17C28 -47.33 2.14 -9.08 0.97 0
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380004 134964469 1 BrO4H9C10 AB4C9D10 -122.95 6.08 -9.48 -1.0 0
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380005 134964471 1 NSH13C14 ABC13D14 70.79 3.4 -9.39 -0.5 0
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380006 134964472 2 OC7H9 AB7C9 -41.52 1.41 -8.77 0.47 0
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380007 134964473 1 OC14H20 AB14C20 -53.52 2.46 -9.06 0.65 1
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380008 134964474 1 NC17H22 AB17C22 54.0 2.0 0.0 0.0 0
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380009 134964475 1 NC14H27 AB14C27 -32.91 1.6 -8.48 1.49 0
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380010 134964478 1 NC17H25 AB17C25 15.25 1.19 -8.57 0.47 0
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380011 134964479 1 O3C14H14 A3B14C14 -8.31 1.76 -9.37 -0.36 0
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380012 134964480 1 OPC18H23 ABC18D23 -34.4 1.5 -8.12 0.32 0
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380013 134964481 1 ClOSC14H19 ABCD14E19 -61.52 4.28 -8.72 -0.34 0
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380015 134964483 1 OC16H20 AB16C20 -26.05 2.84 -9.03 -0.14 0
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380016 134964484 2 O2H6C7 A2B6C7 -115.51 5.9 -9.09 -1.24 0
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380017 134964488 3 C4H5 A4B5 55.23 0.68 0.0 0.0 1
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380018 134964490 1 BrPO2C9H11 ABC2D9E11 -78.48 1.08 0.0 0.0 0
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380019 134964491 1 NO4H9C14 AB4C9D14 -12.54 4.95 -10.24 -1.54 1
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380020 134964492 1 NC16H22 AB16C22 32.41 2.59 0.0 0.0 0
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380021 134964493 1 NC16H21 AB16C21 34.14 1.05 -8.95 0.19 -1
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380022 134964494 1 NH14C18 AB14C18 99.52 1.62 0.0 0.0 0
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380023 134964497 1 NC12H15 AB12C15 30.63 1.96 -9.21 0.4 0
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380024 134964498 1 NO2F3C8H12 AB2C3D8E12 -261.2 6.28 -9.72 0.19 0
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380025 134964499 1 SO4C15H24 AB4C15D24 -198.26 2.59 -8.91 -0.38 0
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380026 134964500 1 OC11H22 AB11C22 -92.21 3.06 -9.9 0.86 0
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380027 134964501 1 O3C16H18 A3B16C18 -14.48 1.65 -9.31 -0.09 0
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380028 134964506 4 C4H5 A4B5 6.5 0.98 -8.73 0.39 0
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380029 134964507 1 ClNOC15H18 ABCD15E18 -38.39 7.25 -8.95 0.04 0
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380030 134964509 1 NO3C14H25 AB3C14D25 -136.71 2.43 -9.1 0.66 1
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380031 134964510 1 PO2C11H14 AB2C11D14 -65.09 2.39 0.0 0.0 0
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380032 134964511 1 NPO3H6C7 ABC3D6E7 -99.39 0.48 -9.4 -0.53 1
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380033 134964512 1 NC11H22 AB11C22 -5.69 1.29 0.0 0.0 0
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380034 134964513 1 OC14H18 AB14C18 -12.41 2.99 -9.49 0.08 0
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380035 134964514 1 SN2H10C15 AB2C10D15 132.8 5.11 -9.05 -1.27 0
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380036 134964515 1 PO4C10H15 AB4C10D15 -193.74 5.53 -10.43 0.39 0
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380037 134964516 1 O3C14H16 A3B14C16 -106.57 4.95 -9.36 -0.79 0
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380038 134964518 1 NC13H15 AB13C15 33.84 1.61 -8.56 0.15 0
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380039 134964521 1 NO2C17H25 AB2C17D25 -105.44 4.82 -8.65 0.24 -5
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380040 134964522 1 RhC5H15 AB5C15 23.04 1.72 -9.51 -1.94 0
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380041 134964523 1 SO2F3N3H6C9 AB2C3D3E6F9 -133.17 4.1 -9.69 -1.85 0
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380042 134964524 1 NO2C15H17 AB2C15D17 -37.4 3.88 -9.8 -0.06 0
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380043 134964525 2 O2C7H8 A2B7C8 -136.17 0.17 -9.39 0.16 0
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380044 134964531 1 FNO2C13H18 ABC2D13E18 -140.38 2.43 -9.98 -0.46 0
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380045 134964532 1 NC11H13 AB11C13 56.08 2.19 -9.81 -0.15 0
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380046 134964533 1 C19H30 A19B30 -38.16 0.71 -9.26 0.46 0
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380047 134964538 1 N2O2C15H16 A2B2C15D16 58.76 2.36 -9.01 -0.34 0
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380048 134964540 1 ClO2C9H13 AB2C9D13 -74.29 1.07 -9.0 0.17 0
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380049 134964541 1 N2O3C15H30 A2B3C15D30 -182.05 2.68 -8.72 1.09 0
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380050 134964543 1 O3C13H24 A3B13C24 -165.9 0.73 -10.09 0.91 0
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380051 134964545 1 O3C13H24 A3B13C24 -165.0 3.1 -10.1 0.82 0
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380052 134964550 1 OSC17H18 ABC17D18 13.12 2.07 -8.35 -0.46 0
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380053 134964552 1 ClNC9H12 ABC9D12 15.43 4.63 -7.53 0.64 0
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380054 134964811 1 O3C13H18 A3B13C18 -128.3 2.96 -9.83 -0.58 0
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380055 134964814 1 O2C11H20 A2B11C20 -99.89 0.92 -9.77 1.26 0
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380057 134964820 2 OC7H7 AB7C7 -9.23 1.22 -9.31 0.27 0
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380058 134964821 1 SiO3C16H34 AB3C16D34 -214.09 3.02 -8.76 1.1 1
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380059 134964826 1 NO2C12H16 AB2C12D16 -75.91 2.77 0.0 0.0 0
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380060 134964828 2 N2O2C11H13 A2B2C11D13 -70.59 3.41 -9.45 -1.09 0
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380061 134964832 1 FO2H11C14 AB2C11D14 -81.8 3.11 -9.24 -0.25 0
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380062 134964835 1 OC18H26 AB18C26 -53.17 1.51 -9.32 0.4 0
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380063 134964837 1 NO3H13C15 AB3C13D15 -36.16 3.94 -8.4 -0.96 0
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380064 134964838 1 NO2C17H25 AB2C17D25 -110.04 2.9 -9.2 0.35 0
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380065 134964840 2 OC3H5 AB3C5 -68.36 2.94 -8.72 0.5 0
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380066 134964841 1 O3C13H16 A3B13C16 -95.94 4.25 -8.16 -0.14 0
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380067 134964868 1 BrOSi2C16H33 ABC2D16E33 -137.92 4.61 -8.57 0.02 0
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380068 134964870 1 OSC15H20 ABC15D20 -43.61 2.21 -8.73 0.06 0
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380069 134964872 1 OSiC14H20 ABC14D20 -32.94 3.62 -9.43 0.07 0
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380070 134964875 1 OC15H16 AB15C16 18.15 2.99 -9.07 -0.49 0
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380071 134964876 1 ClNOH12C16 ABCD12E16 42.39 5.66 -9.24 -0.65 0
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380072 134964879 1 NO2F3C14H14 AB2C3D14E14 -196.66 7.06 -9.81 -1.1 1
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380073 134964886 1 ClNO2C10H13 ABC2D10E13 -57.08 6.89 0.0 0.0 0
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380074 134964887 1 ON2S2H12C14 AB2C2D12E14 41.09 6.4 -8.22 -0.89 0
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380075 134964891 1 NO2C15H19 AB2C15D19 -51.33 5.19 -9.11 -0.16 0
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380076 134964893 1 NO2C14H15 AB2C14D15 -47.94 2.44 -8.87 -0.93 0
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380077 134964894 1 OH12C15 AB12C15 53.6 2.23 -9.69 0.01 0