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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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322934 126671607 1 FSN4O4C28H39 ABC4D4E28F39 -225.01 3.37 -9.34 -0.6 0
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322935 126671609 1 SN4O4C27H40 AB4C4D27E40 -184.93 4.56 -9.12 -0.68 0
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322936 126671613 1 NO3C18H23 AB3C18D23 -56.4 2.51 -9.19 0.25 0
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322937 126671615 1 O7C54H54 A7B54C54 -112.68 4.28 -8.88 0.0 0
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322938 126671619 1 FSN4O4C26H35 ABC4D4E26F35 -220.44 5.22 -9.12 -0.59 0
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322939 126671620 1 NO3C13H29 AB3C13D29 -167.61 1.95 -8.98 1.62 0
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322940 126671621 1 ON2C17H30 AB2C17D30 -59.97 2.65 -8.77 0.11 0
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322941 126671624 1 SN2O3C16H28 AB2C3D16E28 -138.9 7.83 -9.13 -0.68 0
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322942 126671625 1 ON2C17H36 AB2C17D36 -102.96 3.83 -8.53 2.11 0
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322943 126671626 1 ON2C9H20 AB2C9D20 -36.68 2.66 -8.99 1.13 0
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322944 126671627 1 O2N4C31H56 A2B4C31D56 -133.65 1.87 -8.62 0.11 0
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322945 126671631 1 SO7C19H30 AB7C19D30 -305.73 7.23 -9.64 -0.62 0
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322946 126671632 1 NO6C21H29 AB6C21D29 -232.24 4.09 -9.28 -0.4 0
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322947 126671633 1 O2N3C17H27 A2B3C17D27 -96.55 2.62 -8.25 0.3 0
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322948 126671634 1 ClS2O7N9C49H62 AB2C7D9E49F62 -212.28 13.5 -8.88 -1.05 0
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322949 126671635 1 N3O6C29H39 A3B6C29D39 -246.36 6.51 -8.35 -0.25 0
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322950 126671636 1 SN2O5C21H30 AB2C5D21E30 -201.97 2.12 -9.13 -0.87 0
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322951 126671637 1 N2O7C28H40 A2B7C28D40 -203.64 8.23 -8.51 0.01 0
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322952 126671638 1 SN2O3C16H20 AB2C3D16E20 -112.64 2.41 -9.15 -0.85 0
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322953 126671639 1 O4N5C29H39 A4B5C29D39 -99.07 4.39 -9.19 -0.4 0
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322954 126671640 1 O4N5C29H39 A4B5C29D39 -120.89 4.18 -9.08 -0.7 0
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322955 126671641 1 S2O6N7C46H51 A2B6C7D46E51 -109.32 7.76 -8.67 -1.37 0
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322956 126671643 1 OSN5C24H25 ABC5D24E25 75.1 5.13 -9.54 -1.36 0
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322957 126671644 1 PO8H17C22 AB8C17D22 -311.36 7.19 -9.14 -1.87 0
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322958 126671646 1 ON7C17H21 AB7C17D21 109.71 6.64 -8.14 -1.52 0
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322959 126671647 1 ClN10O11C58H71 AB10C11D58E71 -342.26 9.31 -8.07 -0.89 0
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322960 126671648 1 OF3N3C25H32 AB3C3D25E32 -160.14 4.51 -8.38 -0.47 0
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322961 126671649 1 ClN10O10C58H71 AB10C10D58E71 -297.88 12.82 -8.03 -0.86 0
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322962 126671650 1 ClN9O10C54H62 AB9C10D54E62 -278.74 6.04 -8.3 -1.38 0
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322963 126671651 1 ClO7N10C58H63 AB7C10D58E63 -138.82 6.35 -8.4 -0.89 0
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322964 126671653 1 ClS2O7N10C54H59 AB2C7D10E54F59 -155.77 11.58 -9.05 -1.41 0
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322965 126671654 1 ClS2O7N9C56H58 AB2C7D9E56F58 -123.34 12.76 -8.94 -1.63 0
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322966 126671655 1 ClS2O6N9C52H58 AB2C6D9E52F58 -55.13 6.98 -7.16 -0.69 0
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322967 126671657 1 ClS2O7N9C56H58 AB2C7D9E56F58 -126.86 4.91 -8.73 -1.2 0
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322968 126671658 1 ClS3O8N9C48H58 AB3C8D9E48F58 -238.45 17.47 -9.04 -1.78 0
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322969 126671659 1 O2N4C37H56 A2B4C37D56 -72.45 4.8 -8.5 -0.42 0
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322970 126671660 1 N4O4C35H52 A4B4C35D52 -134.92 2.0 -8.77 -0.46 0
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322971 126671661 2 ON2C16H27 AB2C16D27 -120.68 2.4 -8.8 0.16 0
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322972 126671663 1 O2N3C31H51 A2B3C31D51 -110.3 3.99 -8.66 0.1 0
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322973 126671665 1 ClS2O5N11C51H64 AB2C5D11E51F64 -107.82 12.86 -8.66 -1.59 0
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322974 126671666 1 ClS2O5N11C50H62 AB2C5D11E50F62 -88.25 4.8 -8.39 -0.91 0
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322975 126671667 1 ClS2O8N10C58H71 AB2C8D10E58F71 -221.18 14.14 -8.7 -1.42 0
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322976 126671668 1 ClS2O8N10C58H71 AB2C8D10E58F71 -184.06 8.67 -8.44 -1.51 0
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322977 126671669 1 SN7O9C54H61 AB7C9D54E61 -237.3 5.44 -8.29 -0.83 0
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322978 126671670 1 SO3N4C23H26 AB3C4D23E26 -44.64 11.13 -9.22 -1.43 0
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322979 126671671 1 ClS2O6N9C48H54 AB2C6D9E48F54 -82.87 9.72 -9.1 -1.44 0
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322980 126671672 1 SN2O6C23H32 AB2C6D23E32 -212.01 3.06 -8.39 -0.54 0
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322981 126671673 1 ClS2O7N9C53H60 AB2C7D9E53F60 -180.03 5.16 -8.77 -1.49 0
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322982 126671676 1 N2O5C19H30 A2B5C19D30 -208.29 2.57 -8.96 0.07 1
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322983 126671677 1 NOC18H30 ABC18D30 -25.22 12.23 0.0 0.0 1