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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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42354 8149467 1 SO3N4C19H34 AB3C4D19E34 -125.14 4.93 -8.79 -0.4 2
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42355 8149468 1 SO3N4C19H36 AB3C4D19E36 -130.81 4.47 -7.93 -0.36 0
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42356 8149469 1 SO3N4C19H34 AB3C4D19E34 -131.64 6.21 -8.77 -0.34 0
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42357 8149470 1 ON3C21H27 AB3C21D27 -10.21 4.22 -7.71 0.1 1
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42358 8149471 1 ON2C23H25 AB2C23D25 30.25 2.76 0.0 0.0 1
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42359 8149472 1 N3O4C18H26 A3B4C18D26 -150.02 9.75 0.0 0.0 0
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42360 8149473 1 N3O4C18H25 A3B4C18D25 -157.74 5.8 -9.04 -0.41 1
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42361 8149474 1 N3O4C18H26 A3B4C18D26 -148.95 11.0 0.0 0.0 0
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42362 8149475 1 N3O4C18H25 A3B4C18D25 -158.31 4.45 -9.01 -0.34 0
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42363 8149476 1 ON3C21H27 AB3C21D27 -10.23 5.13 -8.2 0.25 0
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42364 8149477 1 ClNSO3C18H18 ABCD3E18F18 -91.87 3.29 -8.76 -0.65 0
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42365 8149478 1 ClNSO3C18H18 ABCD3E18F18 -91.91 2.79 -8.75 -0.64 0
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42366 8149479 1 ClNSO3C18H18 ABCD3E18F18 -91.78 2.88 -8.74 -0.65 0
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42367 8149480 1 ClNSO3C18H18 ABCD3E18F18 -91.4 3.76 -8.73 -0.65 0
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42368 8149481 1 ClFON3C20H23 ABCD3E20F23 -65.38 5.48 -8.56 -0.45 0
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42369 8149482 1 ClFON3C20H23 ABCD3E20F23 -66.2 4.85 -7.95 -0.48 0
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42370 8149483 1 ClO2N3C21H26 AB2C3D21E26 -58.69 7.27 -8.17 -0.22 0
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42371 8149484 1 NO3C17H21 AB3C17D21 -119.46 2.21 -8.54 -0.01 0
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42372 8149485 1 NO3C17H21 AB3C17D21 -115.75 2.21 -8.67 0.1 0
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42373 8149486 1 ClO2N3C21H26 AB2C3D21E26 -58.58 7.62 -7.89 -0.2 1
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42374 8149487 1 N4O5C21H29 A4B5C21D29 -183.86 8.47 0.0 0.0 0
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42375 8149488 1 N4O5C21H28 A4B5C21D28 -198.02 7.53 -9.11 -0.73 1
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42376 8149489 1 N4O5C21H29 A4B5C21D29 -184.11 8.59 0.0 0.0 0
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42377 8149490 1 N4O5C21H28 A4B5C21D28 -191.04 7.37 -9.35 -0.51 0
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42378 8149491 1 FON3C20H24 ABC3D20E24 -55.31 1.95 -7.98 -0.14 2
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42379 8149492 1 OSF2N2C19H26 ABC2D2E19F26 -4.51 22.43 -4.36 -1.64 0
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42380 8149493 1 FON3C20H24 ABC3D20E24 -55.38 4.04 -7.86 -0.15 1
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42381 8149494 1 FN3C22H27 AB3C22D27 27.46 3.76 0.0 0.0 0
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42382 8149495 1 FN3C22H26 AB3C22D26 16.06 3.52 -8.85 -0.48 1
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42383 8149496 1 FN3C22H27 AB3C22D27 33.14 2.3 0.0 0.0 0
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42384 8149497 1 FN3C22H26 AB3C22D26 13.71 2.56 -8.85 -0.41 0
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42385 8149498 1 N3O3C22H27 A3B3C22D27 -82.62 2.16 -7.72 0.04 1
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42386 8149499 1 ON3C17H20 AB3C17D20 1.28 5.15 0.0 0.0 0
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42387 8149500 1 ClNO4H18C23 ABC4D18E23 -63.47 4.74 -8.33 -1.26 0
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42388 8149501 1 N3O3C22H27 A3B3C22D27 -83.79 3.84 -7.97 0.12 0
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42389 8149502 1 N3O3C21H25 A3B3C21D25 -70.77 3.13 -8.24 -0.11 0
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42390 8149503 1 SN2O4C19H20 AB2C4D19E20 -95.89 1.06 -8.71 -1.03 0
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42391 8149504 1 N3O3C21H25 A3B3C21D25 -74.8 5.22 -7.97 -0.08 0
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42392 8149506 1 SN2O4C19H20 AB2C4D19E20 -96.68 2.54 -8.66 -1.04 0
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42393 8149507 1 NF2O3H15C22 AB2C3D15E22 -109.26 4.35 -8.88 -1.43 1
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42394 8149508 1 N2O2C21H25 A2B2C21D25 -31.16 3.99 0.0 0.0 1
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42395 8149509 1 NO5C23H24 AB5C23D24 -125.88 7.91 0.0 0.0 0
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42396 8149510 1 NO5C23H23 AB5C23D23 -135.07 3.41 -8.78 -1.17 0
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42397 8149511 1 ON4C21H24 AB4C21D24 20.32 5.01 -8.04 -0.56 0
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42398 8149512 1 NO7C18H19 AB7C18D19 -233.5 5.93 -10.06 -0.9 0
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42399 8149513 1 ON4C21H24 AB4C21D24 20.46 4.52 -8.03 -0.55 0
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42400 8149514 1 NO7C18H19 AB7C18D19 -236.81 3.05 -10.06 -0.89 0
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42401 8149515 1 NO7C18H19 AB7C18D19 -235.91 2.01 -10.05 -0.9 0
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42402 8149516 1 OCl2N3C20H23 AB2C3D20E23 -28.23 3.69 -8.3 -0.53 0
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42403 8149518 1 OCl2N3C20H23 AB2C3D20E23 -28.4 5.12 -7.91 -0.44 0