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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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65201 29204604 1 N3O3C21H23 A3B3C21D23 -13.01 7.33 -8.96 -0.54 0
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65202 29204605 1 ClFO2N4H16C19 ABC2D4E16F19 -39.92 2.1 -9.45 -0.91 0
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65203 29204606 1 N3O3C21H23 A3B3C21D23 -10.65 6.27 -9.12 -0.62 0
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65204 29204607 1 ClN4O4H19C21 AB4C4D19E21 -54.6 4.07 -8.57 -0.84 0
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65205 29204608 1 N3O3C21H23 A3B3C21D23 -11.05 9.25 -9.29 -0.61 0
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65206 29204609 1 ClN4O4C17H17 AB4C4D17E17 -43.0 7.93 -9.06 -1.02 0
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65207 29204610 1 ClN3O4H16C19 AB3C4D16E19 -84.91 1.21 -9.06 -0.98 0
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65208 29204611 1 ClSN3O4C15H20 ABC3D4E15F20 -139.52 5.2 -9.37 -1.05 0
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65209 29204613 1 ClO3N4H21C25 AB3C4D21E25 8.97 1.95 -8.81 -0.8 0
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65210 29204617 1 FN3O3C20H20 AB3C3D20E20 -40.04 9.23 -9.3 -0.66 0
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65211 29204621 1 SCl2N3O5C19H19 AB2C3D5E19F19 -162.76 4.78 -9.88 -0.97 0
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65212 29204622 1 SCl2N3O5C19H19 AB2C3D5E19F19 -167.45 5.87 -9.5 -0.81 0
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65213 29204623 1 SCl2N3O5C19H19 AB2C3D5E19F19 -162.95 8.04 -9.86 -1.0 0
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65214 29204624 1 ClSN3O6C20H22 ABC3D6E20F22 -195.46 7.31 -9.45 -1.24 0
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65215 29204625 1 ClSN3O6C20H22 ABC3D6E20F22 -194.13 6.33 -9.43 -1.08 0
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65216 29204626 1 ClN3O4C18H18 AB3C4D18E18 -98.6 4.7 -9.55 -0.97 0
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65217 29204627 1 ClN2O3H25C26 AB2C3D25E26 -45.6 3.18 -8.19 -0.48 0
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65218 29204628 1 ClSN3O6H18C20 ABC3D6E18F20 -184.39 3.16 -9.71 -1.4 0
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65219 29204629 1 ClN2O3H25C26 AB2C3D25E26 -46.38 4.11 -8.19 -0.47 0
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65220 29204631 1 ClN2O3H25C26 AB2C3D25E26 -47.85 5.25 -8.3 -0.46 0
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65221 29204632 1 ClS2N3O6C18H20 AB2C3D6E18F20 -187.15 9.42 -9.05 -0.8 0
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65222 29204633 1 ClN2O3H25C26 AB2C3D25E26 -46.72 2.96 -8.21 -0.49 0
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65223 29204634 1 ClS2N3O6C18H20 AB2C3D6E18F20 -182.81 8.07 -9.39 -0.92 0
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65224 29204635 1 N2O3C23H28 A2B3C23D28 -83.9 6.69 -8.3 0.09 0
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65225 29204637 1 N2O3C23H28 A2B3C23D28 -82.58 6.03 -8.27 0.08 0
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65226 29204638 1 N2F3O3H15C18 A2B3C3D15E18 -232.16 1.9 -9.32 -0.89 0
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65227 29204639 1 ClN2O3H25C26 AB2C3D25E26 -44.23 3.72 -8.26 -0.44 0
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65228 29204640 1 ClO2F3N3H17C20 AB2C3D3E17F20 -185.11 8.18 -9.01 -0.75 0
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65229 29204642 1 N2F3O5C16H17 A2B3C5D16E17 -293.29 7.4 -9.27 -0.73 0
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65230 29204643 1 BrN2O4H23C24 AB2C4D23E24 -58.8 2.23 -8.18 -0.76 0
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65231 29204644 1 N2F3O5C16H17 A2B3C5D16E17 -294.29 7.49 -9.24 -0.74 0
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65232 29204645 1 BrN2O4H23C24 AB2C4D23E24 -59.44 4.79 -8.22 -0.8 0
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65233 29204646 1 N2F3O5C16H17 A2B3C5D16E17 -291.19 5.34 -9.4 -0.77 0
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65234 29204648 1 N2F3O5C16H17 A2B3C5D16E17 -294.09 5.94 -9.54 -0.9 0
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65235 29204650 1 O2F3N3H20C21 A2B3C3D20E21 -185.26 8.61 -8.99 -0.47 0
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65236 29204652 1 SF3N3O4H14C16 AB3C3D4E14F16 -295.15 5.53 -9.2 -0.87 -1
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65237 29204653 1 SF3N3O5H11C16 AB3C3D5E11F16 -219.67 9.0 0.0 0.0 0
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65238 29204654 1 SF3N3O5H12C16 AB3C3D5E12F16 -246.22 13.02 -9.0 -1.85 0
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65239 29204656 1 SF3N3O4H16C19 AB3C3D4E16F19 -242.73 4.67 -9.54 -1.32 0
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65240 29204657 1 SN2F3O3H17C18 AB2C3D3E17F18 -240.93 3.67 -9.02 -0.76 0
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65241 29204659 1 ClSN2F3O5H14C16 ABC2D3E5F14G16 -290.3 5.37 -9.33 -1.52 0
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65242 29204660 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -340.97 7.4 -9.36 -1.36 0
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65243 29204661 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -338.65 4.3 -9.61 -0.96 0
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65244 29204662 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -343.92 3.12 -9.33 -0.82 0
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65245 29204663 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -348.6 9.28 -9.12 -1.0 0
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65246 29204664 1 SN2F3O6C20H21 AB2C3D6E20F21 -377.35 7.71 -9.3 -0.98 0
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65247 29204665 1 SN2F3O6C20H21 AB2C3D6E20F21 -375.71 6.57 -9.18 -0.64 0
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65248 29204666 1 SN2F3O4C20H23 AB2C3D4E20F23 -298.83 5.73 -9.42 -0.79 0
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65249 29204667 1 N2S2F3O6C18H19 A2B2C3D6E18F19 -368.68 11.64 -9.0 -0.63 0
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65250 29204668 1 N2S2F3O6C18H19 A2B2C3D6E18F19 -370.18 13.56 -8.94 -0.97 0