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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40453 8144159 1 SN5C17H23 AB5C17D23 99.09 4.77 -8.12 -0.05 1
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40454 8144160 1 FSN5C20H23 ABC5D20E23 77.32 5.58 0.0 0.0 0
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40455 8144161 1 FSN5C20H22 ABC5D20E22 64.95 5.65 -8.14 -0.86 1
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40456 8144162 1 SO2N5C22H28 AB2C5D22E28 51.97 7.64 0.0 0.0 0
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40457 8144163 1 SO2N5C22H27 AB2C5D22E27 36.8 4.86 -8.22 -0.35 0
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40458 8144164 1 FON3H18C20 ABC3D18E20 8.76 6.86 -8.98 -1.3 1
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40459 8144165 1 SN5C23H28 AB5C23D28 144.64 5.1 0.0 0.0 1
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40460 8144167 1 N3O3C23H28 A3B3C23D28 -49.29 18.28 0.0 0.0 0
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40461 8144168 1 N3O3C23H27 A3B3C23D27 -65.84 5.2 -9.03 -1.26 0
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40462 8144169 1 SN2O2H18C23 AB2C2D18E23 36.05 2.9 -8.4 -0.87 0
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40463 8144174 1 ClOSN5C20H22 ABCD5E20F22 78.77 10.55 -8.29 -1.37 0
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40464 8144176 2 SN2C7H9 AB2C7D9 85.41 3.71 -8.32 -0.89 0
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40465 8144180 1 S2N5C21H25 A2B5C21D25 110.15 4.99 -8.26 -1.07 0
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40466 8144182 1 SO2N3C24H27 AB2C3D24E27 -19.26 2.89 -8.62 -0.81 1
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40467 8144187 1 SO2N3C24H28 AB2C3D24E28 -14.51 0.79 0.0 0.0 0
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40468 8144190 2 ON2C12H15 AB2C12D15 -42.63 3.86 -8.48 -0.18 1
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40469 8144191 1 OSN5C21H26 ABC5D21E26 83.91 6.98 0.0 0.0 0
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40470 8144194 1 SO2N3C24H27 AB2C3D24E27 -16.35 2.84 -8.62 -0.82 1
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40471 8144195 1 OSN5C21H26 ABC5D21E26 82.56 6.39 0.0 0.0 0
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40472 8144196 1 OSN5C21H25 ABC5D21E25 70.05 5.87 -8.21 -0.44 1
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40473 8144197 1 ClNO2C15H17 ABC2D15E17 -40.33 6.26 0.0 0.0 0
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40474 8144198 1 ClNO2C15H16 ABC2D15E16 -48.52 7.44 -9.21 -0.57 1
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40475 8144199 1 OSN5C22H28 ABC5D22E28 75.18 6.22 0.0 0.0 1
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40476 8144201 1 OSN5C23H28 ABC5D23E28 99.52 6.28 0.0 0.0 0
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40477 8144202 1 OSN5C23H27 ABC5D23E27 82.3 5.95 -8.18 -0.53 0
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40478 8144203 1 ClN2O4H17C18 AB2C4D17E18 -87.48 6.44 -9.1 -0.47 0
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40479 8144207 1 O2N3H19C21 A2B3C19D21 17.0 6.73 -9.14 -0.55 0
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40480 8144209 1 SN5C21H25 AB5C21D25 95.47 4.71 -8.19 -0.5 1
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40481 8144212 1 O2N3H20C21 A2B3C20D21 19.43 7.09 0.0 0.0 0
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40482 8144215 2 ON3C6H7 AB3C6D7 64.69 9.51 -9.76 -2.13 1
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40483 8144216 1 O2N3H20C21 A2B3C20D21 19.82 7.64 0.0 0.0 1
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40484 8144218 1 O3N4C18H25 A3B4C18D25 -83.94 3.64 0.0 0.0 0
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40485 8144219 1 O3N4C18H24 A3B4C18D24 -89.2 2.84 -8.36 -1.22 1
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40486 8144220 1 OSN5C20H24 ABC5D20E24 89.48 8.21 0.0 0.0 0
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40487 8144221 1 OSN5C20H23 ABC5D20E23 82.59 6.95 -8.37 -1.25 0
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40488 8144222 2 NSH7C10 ABC7D10 120.85 2.01 -8.08 -0.91 0
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40489 8144224 1 O2N3H19C21 A2B3C19D21 19.48 6.25 -9.18 -0.6 1
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40490 8144227 1 O3N4C18H25 A3B4C18D25 -76.9 6.24 0.0 0.0 0
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40491 8144228 1 O3N4C18H24 A3B4C18D24 -87.93 2.6 -8.31 -1.21 1
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40492 8144229 1 S2N5C19H24 A2B5C19D24 121.51 3.45 0.0 0.0 0
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40493 8144230 1 S2N5C19H23 A2B5C19D23 109.62 4.35 -8.14 -0.49 1
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40494 8144231 1 O3N4C19H25 A3B4C19D25 -73.26 11.69 0.0 0.0 0
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40495 8144232 1 O3N4C19H24 A3B4C19D24 -85.06 2.17 -8.36 -1.15 1
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40496 8144233 1 O3N4C15H19 A3B4C15D19 -64.66 4.35 0.0 0.0 1
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40497 8144235 1 SN5C22H28 AB5C22D28 109.64 5.1 0.0 0.0 0
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40498 8144236 1 SN5C22H27 AB5C22D27 89.65 4.51 -8.15 -0.15 1
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40499 8144238 1 SN6C21H27 AB6C21D27 124.11 3.26 0.0 0.0 0
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40500 8144239 1 SN6C21H26 AB6C21D26 110.06 1.98 -8.21 -0.89 1
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40501 8144240 1 SN5C21H26 AB5C21D26 110.46 4.95 0.0 0.0 0
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40502 8144241 1 SN5C21H25 AB5C21D25 94.95 4.56 -8.14 -0.35 1