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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214195 84970654 1 O3N6C18H23 A3B6C18D23 -31.84 6.27 0.0 0.0 1
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214196 84970656 1 F3O3N6C17H18 A3B3C6D17E18 -172.15 13.5 0.0 0.0 1
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214197 84974594 1 O2N3C18H30 A2B3C18D30 -80.31 7.05 0.0 0.0 0
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214198 84974597 1 N3O3C22H29 A3B3C22D29 -91.92 3.29 -8.42 -0.06 1
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214199 84974598 1 O2N4C16H23 A2B4C16D23 -26.85 2.9 0.0 0.0 0
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214200 84974601 1 SO2N4C23H28 AB2C4D23E28 -41.27 3.95 -8.76 -0.89 1
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214201 84974608 1 ClO2N3C15H23 AB2C3D15E23 -73.56 5.69 0.0 0.0 0
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214202 84974615 1 N4O5C16H24 A4B5C16D24 -124.2 5.48 -9.3 -1.47 1
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214203 84974618 1 N3O4C18H30 A3B4C18D30 -167.45 8.9 0.0 0.0 1
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214204 84974622 1 O3N4C22H29 A3B4C22D29 -38.8 5.46 0.0 0.0 1
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214205 84974625 1 N3O4C17H28 A3B4C17D28 -162.2 5.67 0.0 0.0 0
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214206 84974628 1 SN4O4C17H28 AB4C4D17E28 -153.94 7.69 -9.35 -0.77 1
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214207 84974629 1 O2N3C18H30 A2B3C18D30 -85.47 3.8 0.0 0.0 1
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214208 84974635 1 BrO2N3C16H25 AB2C3D16E25 -66.52 3.42 0.0 0.0 0
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214209 84974637 1 O2N3C21H31 A2B3C21D31 -81.85 8.12 -8.26 -0.55 0
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214210 84974642 1 SN4O5C18H26 AB4C5D18E26 -117.71 9.96 -9.54 -1.24 0
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214211 84974644 1 O2N3C23H29 A2B3C23D29 -63.93 3.55 -7.67 0.06 1
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214212 84974649 1 N4O5C16H25 A4B5C16D25 -107.89 7.29 0.0 0.0 0
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214213 84974650 1 N4O5C16H24 A4B5C16D24 -122.42 7.13 -9.3 -1.15 1
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214214 84974652 1 N3O3C17H26 A3B3C17D26 -105.53 10.08 0.0 0.0 1
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214215 84974654 1 ClO2N3C15H23 AB2C3D15E23 -74.19 4.96 0.0 0.0 0
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214216 84974655 1 ClO2N3C15H22 AB2C3D15E22 -90.62 5.23 -9.24 -0.39 0
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214217 84974659 1 SO2N3C24H31 AB2C3D24E31 -56.2 3.16 -7.68 -0.58 0
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214218 84974670 1 ClN4O4C20H23 AB4C4D20E23 -56.26 6.08 -9.51 -1.5 0
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214219 84974671 3 NOC8H9 ABC8D9 -27.68 3.39 -7.88 -0.81 0
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214220 84974685 1 N2O3C25H26 A2B3C25D26 -40.45 6.19 -8.24 -0.87 1
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214221 84974688 1 BrN2O2C16H24 AB2C2D16E24 -61.83 7.06 0.0 0.0 0
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214222 84974690 1 SN3O4C16H19 AB3C4D16E19 -138.02 3.16 -8.45 -1.07 0
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214223 84974693 1 SO3N4C21H28 AB3C4D21E28 -66.14 10.93 -8.11 -0.4 0
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214224 84974697 1 SN2O4C17H24 AB2C4D17E24 -151.84 6.72 -8.48 0.28 0
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214225 84974701 1 SN3O3C23H29 AB3C3D23E29 -68.05 7.34 -7.79 -1.14 1
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214226 84974705 1 BrON2C19H22 ABC2D19E22 31.84 5.64 0.0 0.0 0
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214227 84974706 1 BrON2C19H21 ABC2D19E21 12.34 6.16 -8.74 -0.36 0
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214228 84974712 1 ON2C19H26 AB2C19D26 -30.02 2.1 -7.98 0.26 0
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214229 84974713 1 ClO2N4C23H29 AB2C4D23E29 -35.44 8.69 -8.55 -0.6 0
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214230 84974721 1 N3O4C22H23 A3B4C22D23 -109.2 4.35 -8.63 -0.51 0
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214231 84974722 1 O2N3C20H29 A2B3C20D29 -92.73 5.64 -7.95 0.17 0
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214232 84974729 1 ClN2O4H17C20 AB2C4D17E20 -89.36 6.49 -9.35 -1.76 0
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214233 84974737 1 ClN3O4H14C18 AB3C4D14E18 -69.17 3.51 -9.3 -1.77 0
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214234 84974739 1 ClN2O4H17C20 AB2C4D17E20 -86.94 4.18 -9.65 -1.63 0
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214235 84974743 1 F2N2O4H14C19 A2B2C4D14E19 -165.22 8.13 -9.28 -1.86 0
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214236 84974747 2 NOC8H9 ABC8D9 -13.39 3.25 -8.2 -0.73 0
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214237 84974749 1 N2O2C19H22 A2B2C19D22 -22.95 5.62 -8.12 -0.39 1
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214238 84974750 1 O2N3C24H28 A2B3C24D28 -17.89 3.36 0.0 0.0 1
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214239 84974756 1 O4N5C21H30 A4B5C21D30 -146.82 5.17 0.0 0.0 0
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214240 84974757 1 ClN2O5H17C20 AB2C5D17E20 -120.3 8.28 -8.52 -1.78 0
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214241 84974761 1 N4O5C20H22 A4B5C20D22 -145.34 4.48 -9.71 -1.73 0
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214242 84974766 1 F2N2O5H16C20 A2B2C5D16E20 -221.62 4.32 -9.0 -1.74 0
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214243 84974767 1 N2O4H20C21 A2B4C20D21 -87.39 4.34 -9.17 -1.63 0
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214244 84974773 1 ClON2C18H19 ABC2D18E19 8.1 5.23 -8.25 -0.7 0