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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227622 87562109 1 ClKNSO3H6C9 ABCDE3F6G9 -142.16 7.87 0.0 0.0 2
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227623 87562111 1 O2P2N3H31C41 A2B2C3D31E41 115.64 21.78 -6.18 -2.29 0
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227624 87562112 1 O9C10H16 A9B10C16 -385.12 4.68 -10.52 -1.12 0
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227625 87562115 1 BrNC2O2H8 ABC2D2E8 -74.86 1.1 -8.72 1.22 0
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227626 87562120 1 ClNOC20H22 ABCD20E22 -0.83 2.4 -9.03 -0.26 0
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227627 87562121 1 BNO3C18H26 ABC3D18E26 -205.17 4.12 -8.87 0.29 0
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227628 87562122 1 BrSO2N3C9H18 ABC2D3E9F18 -116.19 1.73 -9.08 -0.67 0
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227629 87562127 1 BrN2O4C20H23 AB2C4D20E23 -124.51 2.24 -9.2 -1.57 -1
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227630 87562129 1 ClN2O3H6C7 AB2C3D6E7 -46.67 4.07 0.0 0.0 0
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227631 87562130 2 ON2H10C13 AB2C10D13 119.93 3.63 -8.96 -1.07 0
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227632 87562131 1 ClN3O3C13H18 AB3C3D13E18 -100.95 1.77 -8.96 -1.01 0
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227633 87562136 3 NOC4H7 ABC4D7 -108.09 6.75 -10.32 -0.32 0
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227634 87562137 2 O2C9H19 A2B9C19 -267.76 5.41 -10.02 1.72 0
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227635 87562138 1 BrNO3C8H8 ABC3D8E8 -99.48 6.19 -9.78 -1.01 0
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227636 87562142 1 NaO2N3C7H16 AB2C3D7E16 -115.8 9.43 -7.91 0.17 0
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227637 87562145 1 ClON2F3C24H26 ABC2D3E24F26 -171.47 5.54 -8.49 -0.96 0
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227638 87562146 1 ON4H14C22 AB4C14D22 205.65 3.68 -8.91 -1.54 0
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227639 87562147 1 ON4C10H12 AB4C10D12 55.36 3.7 -8.82 -0.91 0
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227640 87562148 1 SN2O3H16C17 AB2C3D16E17 -70.15 5.35 -9.1 -1.36 0
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227641 87562150 1 NO9C15H17 AB9C15D17 -346.88 4.83 -10.23 -0.65 0
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227642 87562151 1 SO3N4H16C17 AB3C4D16E17 -46.31 5.08 -8.82 -1.32 0
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227643 87562153 1 ClOSiN5C20H28 ABCD5E20F28 -18.97 2.82 -8.59 -0.89 0
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227644 87562154 1 NSO4C16H25 ABC4D16E25 -171.96 3.43 -8.77 0.11 0
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227645 87562155 1 NSO4C16H25 ABC4D16E25 -174.67 2.87 -8.79 0.2 0
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227646 87562157 1 SN3O3C17H17 AB3C3D17E17 -22.5 4.96 -9.02 -1.54 0
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227647 87562158 1 HO3C4F7 AB3C4D7 -390.47 4.03 -11.56 -1.92 0
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227648 87562161 1 SO4N7C23H25 AB4C7D23E25 -49.33 4.36 -9.07 -1.08 0
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227649 87562162 1 S2N3O3H15C16 A2B3C3D15E16 -59.44 7.45 -8.78 -0.82 0
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227650 87562163 1 ClH13C18 AB13C18 35.3 1.89 -8.74 -0.96 0
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227651 87562165 2 NO2C4H5 AB2C4D5 -131.35 3.95 -10.6 -0.68 0
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227652 87562167 1 BrN3O3C12H18 AB3C3D12E18 -104.27 3.07 -9.44 -0.84 0
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227653 87562168 1 S2N4O5C20H22 A2B4C5D20E22 -140.39 8.29 -9.3 -1.27 0
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227654 87562169 1 ClF3H10C19 AB3C10D19 -88.3 4.93 -8.46 -1.85 0
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227655 87562170 1 ON4C13H16 AB4C13D16 4.37 1.91 -9.05 -0.27 0
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227656 87562172 1 N2O4C15H30 A2B4C15D30 -147.36 13.94 -9.19 -0.15 0
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227657 87562174 1 ClOSiN5C20H28 ABCD5E20F28 -20.26 4.79 -8.72 -0.43 0
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227658 87562176 1 OCl2C6H12 AB2C6D12 -113.52 5.61 -10.29 0.1 0
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227659 87562177 1 SSnO2C10H20 ABC2D10E20 -27.37 2.33 -6.18 -1.41 0
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227660 87562178 1 SO2C10H20 AB2C10D20 -125.43 2.02 -9.13 -1.04 0
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227662 87562181 1 ClSO2N3H4C7 ABC2D3E4F7 -33.31 2.71 -9.7 -1.68 0
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227663 87562182 1 FO3N4H21C25 AB3C4D21E25 -40.56 2.38 -8.44 -1.12 0
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227664 87562183 1 Cl2O2S2N6H8C13 A2B2C2D6E8F13 51.79 1.3 -9.3 -1.57 0
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227665 87562187 2 ClO3N4C35H41 AB3C4D35E41 -141.58 5.96 -8.44 -1.35 0
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227666 87562194 1 SN3O5C16H21 AB3C5D16E21 -179.43 5.73 -8.58 -0.61 0
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227667 87562196 1 ClKSH2N2O3C4 ABCD2E2F3G4 -125.41 11.83 -10.09 -1.14 0
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227668 87562197 1 ClKSN2H3O3C4 ABCD2E3F3G4 -146.22 7.53 0.0 0.0 0
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227669 87562199 1 SF3O3C11H13 AB3C3D11E13 -284.1 5.29 -10.1 -0.65 0
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227670 87562201 1 NP2S2C44H93 AB2C2D44E93 -323.57 6.93 -8.74 0.28 0
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227671 87562202 1 O2N5C7H11 A2B5C7D11 45.02 7.16 -10.7 -1.54 0
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227672 87562203 2 NOC9H11 ABC9D11 -57.74 6.7 -8.52 -0.5 0