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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40503 8144242 1 SN5C21H26 AB5C21D26 117.05 5.09 0.0 0.0 0
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40504 8144243 1 SN5C21H25 AB5C21D25 103.9 4.59 -8.21 -0.13 0
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40505 8144244 1 SN2O2C14H16 AB2C2D14E16 -38.59 3.71 -8.94 -0.46 1
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40506 8144245 1 OS2N5C18H22 AB2C5D18E22 87.37 6.73 0.0 0.0 0
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40507 8144250 1 OSN4C20H22 ABC4D20E22 68.56 3.73 -8.38 -0.87 1
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40508 8144251 1 SO2N3H20C24 AB2C3D20E24 56.45 7.1 0.0 0.0 0
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40509 8144252 1 SO2N3H19C24 AB2C3D19E24 43.94 3.56 -8.78 -1.07 0
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40510 8144253 1 NF2O3C18H21 AB2C3D18E21 -242.47 2.85 -9.02 -0.4 1
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40511 8144254 1 SO3N4C21H25 AB3C4D21E25 6.84 7.12 0.0 0.0 0
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40512 8144255 1 SO3N4C21H24 AB3C4D21E24 -9.44 3.42 -8.37 -1.03 1
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40513 8144256 1 SN3O3H18C22 AB3C3D18E22 31.29 7.11 0.0 0.0 0
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40514 8144257 1 SN3O3H17C22 AB3C3D17E22 13.53 2.27 -8.64 -1.22 1
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40515 8144258 1 O3N4C21H29 A3B4C21D29 -88.14 5.62 0.0 0.0 0
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40516 8144259 1 O3N4C21H28 A3B4C21D28 -99.47 2.9 -8.33 -1.16 1
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40517 8144260 1 O3N4C21H29 A3B4C21D29 -84.37 11.1 0.0 0.0 0
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40518 8144261 1 O3N4C21H28 A3B4C21D28 -97.28 2.88 -8.35 -1.16 0
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40519 8144262 1 N2O3C17H24 A2B3C17D24 -69.25 5.82 -8.44 -1.08 1
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40520 8144265 1 SN3O3H18C22 AB3C3D18E22 32.07 7.05 0.0 0.0 1
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40521 8144268 1 O3N4C21H29 A3B4C21D29 -84.27 11.39 0.0 0.0 0
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40522 8144269 1 O3N4C21H28 A3B4C21D28 -95.79 2.31 -8.47 -1.1 1
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40523 8144270 1 SO2N4C21H25 AB2C4D21E25 52.96 5.7 0.0 0.0 0
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40524 8144271 1 SO2N4C21H24 AB2C4D21E24 26.24 4.31 -8.36 -0.38 1
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40525 8144272 1 N3O3H18C22 A3B3C18D22 22.87 7.13 0.0 0.0 0
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40526 8144273 1 N3O3H17C22 A3B3C17D22 21.03 7.78 -9.1 -1.03 1
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40527 8144274 1 SN5C20H24 AB5C20D24 122.76 4.45 0.0 0.0 0
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40528 8144276 1 N2O3C17H24 A2B3C17D24 -68.64 5.55 -8.41 -1.08 1
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40529 8144277 1 SN5C21H26 AB5C21D26 112.17 5.11 0.0 0.0 0
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40530 8144278 1 SN5C21H25 AB5C21D25 95.49 4.34 -8.21 -0.19 1
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40531 8144279 1 N3O3H18C22 A3B3C18D22 25.45 7.83 0.0 0.0 0
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40532 8144282 1 N2O2C21H26 A2B2C21D26 -19.8 4.05 -7.94 0.02 0
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40533 8144283 1 N2O3C17H24 A2B3C17D24 -69.17 5.06 -8.44 -1.08 1
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40534 8144284 1 N3O4C21H22 A3B4C21D22 -63.84 7.6 0.0 0.0 0
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40535 8144285 1 N3O4C21H21 A3B4C21D21 -69.1 6.6 -8.22 -1.38 1
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40536 8144291 3 NO2C6H8 AB2C6D8 -187.88 10.88 0.0 0.0 0
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40537 8144292 1 N3O6C18H23 A3B6C18D23 -205.33 2.7 -8.42 -1.45 0
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40538 8144294 1 N3O6C20H27 A3B6C20D27 -212.87 1.42 -8.3 -1.36 1
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40539 8144295 1 ClOSN4C13H16 ABCD4E13F16 54.15 3.96 0.0 0.0 1
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40540 8144297 1 OSN4C15H21 ABC4D15E21 42.69 4.31 0.0 0.0 1
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40541 8144299 1 SO2N4C14H19 AB2C4D14E19 19.25 4.23 0.0 0.0 0
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40542 8144302 2 ON2C8H11 AB2C8D11 -62.44 7.47 -9.34 -0.73 0
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40543 8144304 1 ClOSN4C14H17 ABCD4E14F17 23.42 3.9 -8.53 -0.68 0
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40544 8144306 1 OSN4C15H20 ABC4D15E20 23.07 3.61 -8.34 -0.12 1
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40545 8144307 1 SO2N5C20H24 AB2C5D20E24 48.44 2.3 0.0 0.0 1
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40546 8144310 1 SO2N4C18H27 AB2C4D18E27 -74.64 5.51 0.0 0.0 0
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40547 8144311 1 SO2N4C18H26 AB2C4D18E26 -87.43 2.92 -8.79 -1.1 1
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40548 8144312 1 N2O3C23H31 A2B3C23D31 -69.04 4.13 0.0 0.0 0
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40549 8144313 1 N2O3C23H30 A2B3C23D30 -90.49 3.17 -8.65 0.08 1
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40550 8144314 1 FSN3O3C15H19 ABC3D3E15F19 -70.48 5.36 0.0 0.0 0
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40551 8144315 1 FSN3O3C15H18 ABC3D3E15F18 -89.24 1.95 -9.11 -0.7 1
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40552 8144316 1 N2O3C23H25 A2B3C23D25 -65.08 8.39 0.0 0.0 0