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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42304 8149415 1 OSN3C15H21 ABC3D15E21 -38.09 2.87 -8.55 -0.8 1
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42305 8149416 1 N2O3C18H29 A2B3C18D29 -74.31 5.45 0.0 0.0 0
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42306 8149417 1 N2O3C18H28 A2B3C18D28 -96.4 5.63 -8.75 0.1 1
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42307 8149418 1 OSN3C15H22 ABC3D15E22 -21.09 4.64 0.0 0.0 0
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42308 8149419 1 OSN3C15H21 ABC3D15E21 -38.01 0.85 -8.67 -0.95 1
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42309 8149420 1 OS2N3C14H16 AB2C3D14E16 30.21 8.54 0.0 0.0 0
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42310 8149421 1 OS2N3C14H15 AB2C3D14E15 17.4 4.31 -8.65 -1.02 0
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42311 8149423 1 OS2N3C14H15 AB2C3D14E15 15.53 4.57 -8.59 -0.95 0
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42312 8149424 1 OSN3C19H21 ABC3D19E21 2.15 2.69 -8.55 -0.9 1
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42313 8149425 1 N2O3C18H29 A2B3C18D29 -73.35 3.63 0.0 0.0 0
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42314 8149426 1 N2O3C18H28 A2B3C18D28 -98.08 5.99 -8.89 0.13 0
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42315 8149427 1 OSN3C22H27 ABC3D22E27 -26.46 2.64 -8.62 -0.88 0
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42316 8149428 1 OSN3C22H27 ABC3D22E27 -25.32 2.66 -8.6 -0.86 0
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42317 8149429 1 SN2O5C21H22 AB2C5D21E22 -118.12 11.14 -8.64 -0.62 0
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42318 8149430 1 OSN3C22H27 ABC3D22E27 -26.99 2.36 -8.57 -0.82 0
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42319 8149431 1 OSN3C22H27 ABC3D22E27 -25.7 2.56 -8.56 -0.81 0
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42320 8149432 1 SN2O5C21H22 AB2C5D21E22 -128.99 6.28 -8.6 -0.52 0
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42321 8149433 1 ClOSN3H20C22 ABCD3E20F22 23.87 3.93 -8.79 -1.02 0
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42322 8149434 1 SN3O3C21H25 AB3C3D21E25 -106.45 5.39 -8.73 -1.41 1
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42323 8149435 1 SN3O4C21H26 AB3C4D21E26 -59.47 5.5 0.0 0.0 0
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42324 8149436 1 SN3O3C21H25 AB3C3D21E25 -107.01 5.76 -8.79 -1.3 0
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42325 8149437 1 OS2N3C21H21 AB2C3D21E21 30.31 3.99 -8.7 -1.09 0
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42326 8149439 1 SO2N3H17C22 AB2C3D17E22 20.62 2.38 -8.6 -0.95 0
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42327 8149440 1 N4O4C21H26 A4B4C21D26 -53.3 11.32 -7.98 -1.1 0
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42328 8149441 1 N3C22H25 A3B22C25 63.87 3.94 -8.64 -0.84 0
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42329 8149442 1 N3C22H25 A3B22C25 65.33 3.7 -8.59 -0.86 0
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42330 8149443 1 N3C22H25 A3B22C25 65.42 3.91 -8.6 -0.86 0
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42331 8149444 1 N4O4C21H26 A4B4C21D26 -53.58 8.67 -7.8 -1.22 0
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42332 8149445 1 O2N3C22H27 A2B3C22D27 -54.07 7.59 -8.0 -0.52 0
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42333 8149446 1 O2N3C22H27 A2B3C22D27 -44.7 8.12 -8.31 -0.41 0
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42334 8149447 1 OCl2N3C20H23 AB2C3D20E23 -23.15 2.75 -7.88 -0.6 0
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42335 8149448 1 OCl2N3C20H23 AB2C3D20E23 -25.44 5.25 -7.92 -0.46 2
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42336 8149449 1 ON4C22H34 AB4C22D34 -35.15 5.38 -8.79 -0.99 1
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42337 8149450 1 SN3O4C18H22 AB3C4D18E22 -99.96 7.37 0.0 0.0 0
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42338 8149451 1 SN3O4C18H21 AB3C4D18E21 -117.17 4.85 -9.13 -0.72 1
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42339 8149452 1 SN3O4C18H22 AB3C4D18E22 -99.93 6.32 0.0 0.0 0
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42340 8149453 1 SN3O4C18H21 AB3C4D18E21 -114.86 7.07 -9.35 -0.82 1
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42341 8149454 1 NCl2H18C21 AB2C18D21 72.46 3.42 0.0 0.0 0
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42342 8149455 1 NCl2H17C21 AB2C17D21 53.66 2.13 -8.91 -0.48 0
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42343 8149456 1 ON4C21H24 AB4C21D24 15.53 3.26 -7.62 -1.12 1
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42344 8149457 1 NCl2H18C21 AB2C18D21 71.58 3.14 0.0 0.0 0
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42345 8149458 1 NCl2H17C21 AB2C17D21 54.97 1.76 -8.91 -0.49 0
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42346 8149459 1 OSN4C21H24 ABC4D21E24 10.77 4.55 -7.95 -0.92 1
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42347 8149460 1 ClON3H17C18 ABC3D17E18 62.41 7.46 0.0 0.0 1
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42348 8149461 1 ClO2N3C17H27 AB2C3D17E27 -60.96 2.56 0.0 0.0 0
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42349 8149462 1 ClO2N3C17H26 AB2C3D17E26 -86.38 3.38 -8.13 -0.01 1
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42350 8149463 1 ClO2N3C17H27 AB2C3D17E27 -60.29 2.92 0.0 0.0 0
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42351 8149464 1 ClO2N3C17H26 AB2C3D17E26 -86.92 1.95 -8.29 -0.14 0
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42352 8149465 1 ClN2O2C22H23 AB2C2D22E23 -40.47 4.37 -8.03 -1.33 2
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42353 8149466 1 SO3N4C19H36 AB3C4D19E36 -121.15 5.21 -8.81 -0.34 0