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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80522 49834918 1 ON7H19C21 AB7C19D21 148.01 3.73 -9.0 -0.88 0
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80523 49834921 1 SO3N5C21H21 AB3C5D21E21 28.62 8.51 -9.74 -1.14 0
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80524 49834927 1 ClNOC22H22 ABCD22E22 1.15 2.18 -8.3 -0.18 0
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80525 49834928 1 ClNOC22H22 ABCD22E22 1.65 1.12 -8.22 -0.41 0
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80526 49834935 1 SO4N5C17H17 AB4C5D17E17 -18.76 3.18 -8.41 -1.22 0
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80527 49834949 1 N9C22H29 A9B22C29 126.05 3.15 -8.49 0.04 0
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80528 49834951 1 N7O13C40H57 A7B13C40D57 -472.17 3.58 -8.83 -1.57 0
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80529 49834952 1 ClO2N5H24C25 AB2C5D24E25 17.84 3.28 -9.12 -1.03 0
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80530 49834971 1 SN3O4C23H29 AB3C4D23E29 -113.59 6.62 -9.48 -0.71 0
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80531 49834974 1 SN3O5C21H25 AB3C5D21E25 -117.21 7.86 -9.78 -0.68 0
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80532 49834979 1 N3O3C22H25 A3B3C22D25 -38.55 4.3 -7.89 -0.4 0
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80533 49834999 1 SO4N6C23H28 AB4C6D23E28 4.83 6.05 -8.87 -2.11 0
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80534 49835006 1 ON2C13H18 AB2C13D18 -19.55 1.49 -9.28 0.41 0
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80535 49835010 1 ON10C25H34 AB10C25D34 88.54 4.3 -8.55 0.1 0
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80536 49835014 1 ClFN9C21H25 ABC9D21E25 78.94 2.11 -8.68 -0.53 0
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80537 49835023 1 ON3C10H13 AB3C10D13 23.46 1.45 -9.52 -0.68 0
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80538 49835030 1 ON7H21C23 AB7C21D23 105.51 6.28 -8.64 -0.97 0
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80539 49835040 1 N3O3C20H21 A3B3C20D21 -14.78 4.19 -8.25 -0.45 0
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80540 49835043 1 N3O3C21H23 A3B3C21D23 -30.58 4.34 -8.31 -0.7 0
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80541 49835047 1 O2N6C25H28 A2B6C25D28 61.36 5.12 -9.27 -0.96 0
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80542 49835053 1 SO5N6H18C19 AB5C6D18E19 -21.95 14.19 -8.68 -1.96 0
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80543 49835054 1 SN7O7H21C23 AB7C7D21E23 -59.92 13.05 -8.52 -1.89 0
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80544 49835057 3 N3C5H5 A3B5C5 139.1 5.95 -8.37 -1.02 0
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80545 49835065 1 ON9C21H27 AB9C21D27 90.07 4.58 -8.58 -0.16 0
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80546 49835066 1 ON8C23H26 AB8C23D26 95.08 3.1 -8.73 -0.46 0