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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218482 85089519 1 N2S2O6C21H32 A2B2C6D21E32 -249.68 7.24 -8.61 -0.39 0
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218483 85089520 2 O2C15H24 A2B15C24 -168.23 6.2 -8.95 0.48 0
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218484 85089521 3 ClNOC7H8 ABCD7E8 -62.96 6.27 -9.46 -1.55 0
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218485 85089522 1 ClF3O4N5C19H23 AB3C4D5E19F23 -255.93 11.17 -7.92 -0.49 0
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218486 85089523 1 ClO2N5C17H22 AB2C5D17E22 -43.84 6.12 -8.16 -0.08 1
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218487 85089524 1 ClO2N5C17H23 AB2C5D17E23 -35.39 5.41 0.0 0.0 0
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218488 85089525 1 Si2O4C25H52 A2B4C25D52 -353.79 1.83 -9.65 0.77 0
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218489 85089526 1 ClN2O9C20H25 AB2C9D20E25 -397.69 2.02 -8.48 -0.28 0
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218490 85089528 1 Cl2N6O6C17H18 A2B6C6D17E18 -198.17 5.99 -9.09 -1.04 0
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218491 85089529 1 BNO8C24H31 ABC8D24E31 -207.34 5.09 0.0 0.0 0
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218492 85089530 1 BrO4C25H29 AB4C25D29 -143.41 5.68 -9.17 -1.06 0
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218493 85089531 1 S2F3N3O5H14C18 A2B3C3D5E14F18 -248.46 7.55 -9.86 -2.0 0
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218494 85089532 1 PS2N5O6C16H20 AB2C5D6E16F20 -244.86 4.34 -8.99 -0.45 0
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218495 85089533 1 N5O5C25H27 A5B5C25D27 -102.81 8.21 -9.46 -0.99 0
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218496 85089535 1 SO4N5H19C24 AB4C5D19E24 108.19 2.24 -8.85 -2.22 0
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218497 85089536 1 NO5C29H31 AB5C29D31 -125.22 5.61 -9.07 -0.89 0
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218498 85089537 1 SN3O5C24H31 AB3C5D24E31 -140.97 4.77 -8.68 -0.83 0
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218499 85089538 1 SO4N5C23H31 AB4C5D23E31 -109.97 6.42 -9.68 -0.36 0
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218500 85089539 1 SiN3O6C23H31 AB3C6D23E31 -270.13 3.55 -9.09 -0.74 0
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218501 85089540 1 NS2O4C25H31 AB2C4D25E31 -145.73 3.4 -8.96 -0.66 0
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218502 85089541 1 ON3C31H43 AB3C31D43 -36.13 5.07 -8.13 0.02 0
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218503 85089542 1 N4O4F6C19H20 A4B4C6D19E20 -454.27 5.67 -10.56 -1.09 0
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218504 85089543 1 SCl2N5O5C17H17 AB2C5D5E17F17 -103.04 5.93 -9.05 -0.77 0
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218505 85089544 1 N2F3O5C24H29 A2B3C5D24E29 -329.41 3.58 -9.25 -0.42 0
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218506 85089545 1 N4O6C25H28 A4B6C25D28 -214.17 8.28 -9.13 -0.79 0
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218507 85089546 1 N4O5C26H26 A4B5C26D26 -73.13 5.91 -9.65 -0.55 0
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218508 85089547 1 O6C29H30 A6B29C30 -206.07 4.56 -9.5 -0.57 0
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218509 85089548 1 O6C29H30 A6B29C30 -152.87 3.21 -9.1 0.09 0
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218510 85089549 2 O3C14H21 A3B14C21 -277.02 7.1 -9.13 0.25 0
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218511 85089552 1 SiO2C30H54 AB2C30D54 -185.28 2.67 -8.71 0.27 0
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218512 85089553 1 ClO7C25H27 AB7C25D27 -244.96 9.25 -8.94 -1.51 0
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218513 85089554 1 ClN2O4H23C27 AB2C4D23E27 -45.6 5.52 -8.88 -0.83 0
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218514 85089555 1 F2N3O5C24H27 A2B3C5D24E27 -274.55 2.71 -9.72 -1.16 0
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218515 85089556 1 FNO7C25H30 ABC7D25E30 -285.45 5.57 -9.9 -1.1 0
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218516 85089557 1 NO6C28H29 AB6C28D29 -146.07 2.45 -8.9 -0.25 0
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218517 85089559 1 O4N5C26H29 A4B5C26D29 -112.52 1.93 -8.67 -0.25 1
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218518 85089563 1 BrClFSN2O4H14C17 ABCDE2F4G14H17 -158.38 3.23 0.0 0.0 0
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218519 85089564 1 ClNS2O6C20H26 ABC2D6E20F26 -226.67 2.17 -8.71 -0.78 0
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218520 85089565 1 SN4O9H18C19 AB4C9D18E19 -299.75 9.05 -9.98 -1.02 0
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218521 85089566 1 F3O8C22H27 A3B8C22D27 -492.19 9.56 -10.25 -0.57 0
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218522 85089567 1 FN4O5H21C25 AB4C5D21E25 -137.94 5.66 -8.56 -0.85 0
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218523 85089569 2 O4C13H18 A4B13C18 -366.56 3.18 -9.52 0.19 0
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218524 85089570 1 S2O7C23H24 A2B7C23D24 -217.09 4.15 -8.84 -0.77 0
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218525 85089572 1 N4O5C25H40 A4B5C25D40 -236.97 4.84 -8.61 -0.35 0
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218526 85089573 1 O3N4C28H36 A3B4C28D36 -107.26 5.01 -8.24 -0.18 0
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218527 85089574 1 N2O3C30H40 A2B3C30D40 -110.37 4.81 -8.32 -0.27 0
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218528 85089575 1 O3C32H44 A3B32C44 -141.98 3.15 -8.65 -0.13 0
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218529 85089578 1 ClSF3N4O4H16C18 ABC3D4E4F16G18 -182.75 6.1 -9.06 -2.57 0
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218530 85089579 1 ClN4O5H17C24 AB4C5D17E24 -6.77 12.61 -8.72 -2.2 0
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218531 85089580 1 ClSN2O5C23H25 ABC2D5E23F25 -163.66 4.65 -8.77 -0.66 0