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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40153 8143656 1 O2N3C19H21 A2B3C19D21 -45.68 1.16 -9.01 -0.6 0
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40154 8143657 1 BrO3N4H9C15 AB3C4D9E15 86.57 7.29 -9.7 -2.0 1
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40155 8143658 1 ClO2N3C16H21 AB2C3D16E21 -53.47 3.09 0.0 0.0 0
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40156 8143659 1 ClO2N3C16H20 AB2C3D16E20 -75.45 1.6 -9.18 -0.34 1
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40157 8143660 1 ClO2N3C16H21 AB2C3D16E21 -52.99 1.15 0.0 0.0 0
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40158 8143661 1 ClO2N3C16H20 AB2C3D16E20 -75.09 0.56 -9.17 -0.37 0
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40159 8143662 1 ClFOSN2H12C16 ABCDE2F12G16 -32.93 6.26 -9.29 -0.99 0
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40160 8143664 1 N3O3C16H21 A3B3C16D21 -103.08 1.46 -9.04 -0.1 0
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40161 8143666 1 N3O3C16H21 A3B3C16D21 -103.4 2.24 -9.01 -0.07 0
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40162 8143667 1 ClFOSN2H12C16 ABCDE2F12G16 -31.85 5.3 -9.34 -1.2 1
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40163 8143668 1 N3O3C20H24 A3B3C20D24 -63.98 4.69 0.0 0.0 0
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40164 8143669 1 N3O3C20H23 A3B3C20D23 -86.09 2.85 -8.57 -0.58 0
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40165 8143671 1 N3O3C20H23 A3B3C20D23 -85.87 3.8 -8.59 -0.6 0
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40166 8143672 1 ON3Cl4H7C15 AB3C4D7E15 72.17 4.91 -9.52 -1.31 1
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40167 8143674 1 Cl2O2N3C15H18 A2B2C3D15E18 -56.16 1.28 0.0 0.0 0
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40168 8143675 1 Cl2O2N3C15H17 A2B2C3D15E17 -79.5 1.31 -9.29 -0.79 0
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40169 8143677 1 Cl2O2N3C15H17 A2B2C3D15E17 -79.52 2.02 -9.31 -0.8 -1
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40170 8143678 1 BrO2N5H11C16 AB2C5D11E16 82.72 4.73 0.0 0.0 0
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40171 8143679 1 BrO2N5H12C16 AB2C5D12E16 72.13 6.54 -9.31 -2.02 0
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40172 8143681 1 O2N3C22H25 A2B3C22D25 -42.66 0.9 -9.14 0.04 1
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40173 8143682 1 S2N4C18H21 A2B4C18D21 121.6 5.11 0.0 0.0 0
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40174 8143683 2 SN2C9H10 AB2C9D10 102.76 3.49 -8.24 -0.84 1
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40175 8143686 1 OSN4C18H21 ABC4D18E21 85.32 5.22 0.0 0.0 1
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40176 8143688 1 OSN4C23H29 ABC4D23E29 64.15 5.53 0.0 0.0 0
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40177 8143689 1 OSN4C23H28 ABC4D23E28 43.82 3.84 -8.26 -0.16 0
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40178 8143695 1 SN3C13H17 AB3C13D17 40.38 3.55 -8.08 -0.41 1
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40179 8143697 1 N3O4C22H26 A3B4C22D26 -85.78 3.46 0.0 0.0 1
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40180 8143699 1 ClSN4C18H24 ABC4D18E24 68.11 4.55 0.0 0.0 1
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40181 8143701 1 OSN4C17H25 ABC4D17E25 32.68 5.39 0.0 0.0 0
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40182 8143702 1 OSN4C17H24 ABC4D17E24 15.64 5.21 -8.06 -0.3 0
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40183 8143705 1 BrNF4H10C11 ABC4D10E11 -153.38 3.79 -8.95 -1.0 1
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40184 8143706 1 ClSN4C14H18 ABC4D14E18 83.59 5.3 0.0 0.0 0
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40185 8143710 1 NO2C28H33 AB2C28D33 -54.16 4.94 -8.7 0.02 1
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40186 8143711 1 SO2N4C21H25 AB2C4D21E25 45.08 4.28 0.0 0.0 0
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40187 8143715 1 ON2C28H34 AB2C28D34 7.03 6.39 -8.18 -0.96 0
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40188 8143717 1 OSN5H19C21 ABC5D19E21 101.42 3.99 -8.78 -1.46 1
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40189 8143719 1 FSO2N4C21H24 ABC2D4E21F24 -0.67 3.94 0.0 0.0 0
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40190 8143721 1 ON2C26H36 AB2C26D36 -47.67 4.14 -8.28 -0.06 1
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40191 8143722 1 ClOSN4C20H22 ABCD4E20F22 82.54 10.23 0.0 0.0 0
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40192 8143725 1 N3O4C13H13 A3B4C13D13 -42.82 3.77 -9.32 -1.84 0
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40193 8143726 1 O2N6C19H20 A2B6C19D20 107.35 4.94 -9.01 -1.79 1
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40194 8143731 1 N3O4C18H26 A3B4C18D26 -123.69 4.17 0.0 0.0 0
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40195 8143732 1 N3O4C18H25 A3B4C18D25 -146.68 3.8 -8.51 -0.01 0
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40196 8143735 1 ClSN4C15H19 ABC4D15E19 54.78 2.58 -8.25 -0.88 0
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40197 8143737 1 O3N4C17H20 A3B4C17D20 -56.96 11.31 -8.93 -0.88 1
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40198 8143738 1 SO2N4C20H21 AB2C4D20E21 56.03 4.47 0.0 0.0 0
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40199 8143739 1 SO2N4C20H20 AB2C4D20E20 39.33 3.95 -8.24 -0.77 0
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40200 8143743 1 SO2N5C21H21 AB2C5D21E21 36.5 3.31 -8.44 -1.08 1
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40201 8143744 1 OSN5C21H22 ABC5D21E22 89.38 11.95 0.0 0.0 0
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40202 8143745 1 OSN5C21H21 ABC5D21E21 67.01 3.01 -8.43 -1.09 0