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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168638 74997921 1 N2S2O3C16H22 A2B2C3D16E22 -97.27 3.4 -8.46 -0.88 0
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168639 74997922 1 N2S2O3C16H22 A2B2C3D16E22 -99.45 2.87 -8.46 -0.88 0
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168640 74997923 1 SN3O4C28H31 AB3C4D28E31 -82.79 2.35 -8.82 -0.06 0
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168641 74997924 1 FSN2O2C15H19 ABC2D2E15F19 -116.27 3.98 -8.75 -1.16 0
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168642 74998013 1 SN3O4C21H31 AB3C4D21E31 -154.83 4.33 -9.08 0.01 1
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168643 74998014 1 ON6C34H53 AB6C34D53 35.14 3.49 0.0 0.0 0
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168644 74998015 1 ON6C34H52 AB6C34D52 17.93 7.25 -8.49 0.39 1
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168645 74998204 1 NO2C19H22 AB2C19D22 -46.56 4.44 0.0 0.0 0
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168646 74998205 1 O3N4C7H16 A3B4C7D16 -136.13 4.71 -9.66 0.26 0
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168647 74998206 2 ON3C12H14 AB3C12D14 3.39 2.98 -9.4 -0.88 0
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168648 74998207 1 ClS2N5O6C19H26 AB2C5D6E19F26 -177.86 3.49 -8.82 -0.53 1
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168649 74998208 1 NO2C21H26 AB2C21D26 -35.91 4.26 0.0 0.0 0
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168650 74998329 1 N5O7C13H19 A5B7C13D19 -237.66 4.68 -10.39 -0.65 0
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168651 74998342 1 N3O4C23H23 A3B4C23D23 -114.44 2.63 -9.04 -0.42 1
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168652 74998919 1 OSN5H18C19 ABC5D18E19 118.26 2.53 0.0 0.0 0
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168653 74998949 1 NaSN2O5C15H21 ABC2D5E15F21 -246.99 11.12 -8.21 -0.44 1
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168654 74998950 1 N6C21H23 A6B21C23 142.73 1.71 0.0 0.0 0
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168655 74999222 1 N2O12C37H68 A2B12C37D68 -583.29 1.96 -8.85 0.45 0
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168656 74999571 1 O2N5H13C21 A2B5C13D21 100.16 3.11 -8.6 -2.55 0
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168657 74999778 2 N2O9C37H43 A2B9C37D43 -619.44 8.22 -8.29 -0.26 -1
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168658 74999855 1 PSO3C19H24 ABC3D19E24 -158.52 0.71 0.0 0.0 0
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168659 74999880 1 SN15O16C54H83 AB15C16D54E83 -716.39 4.52 -8.88 -0.33 0
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168660 74999881 1 SN4O4C22H28 AB4C4D22E28 -156.52 10.57 -8.56 -0.47 0
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168661 74999882 1 NO15C53H59 AB15C53D59 -532.83 12.19 -9.66 -0.79 0
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168662 74999979 1 Cl2N3O9H31C32 A2B3C9D31E32 -331.94 9.09 -9.59 -1.46 0