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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49586 11533316 1 S2N4O5H18C23 A2B4C5D18E23 -27.32 5.78 -8.72 -1.53 0
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49587 11533317 1 SN4O5C25H26 AB4C5D25E26 -110.35 8.35 -8.64 -1.5 0
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49588 11533318 1 N4O5C27H34 A4B5C27D34 -94.59 7.88 -8.43 -1.02 0
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49589 11533319 1 N2S2O5H22C25 A2B2C5D22E25 -80.49 4.74 -9.15 -1.65 0
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49590 11533320 1 FN2O4C29H35 AB2C4D29E35 -168.33 4.16 -8.75 -0.68 0
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49591 11533324 1 ClFON4C28H32 ABCD4E28F32 -46.22 3.79 -8.41 -0.76 0
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49592 11533325 1 NS2O9C21H21 AB2C9D21E21 -267.4 6.32 -8.65 -1.27 0
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49593 11533326 1 FSN3O5H22C25 ABC3D5E22F25 -135.65 4.79 -8.87 -1.94 0
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49594 11533329 1 N5O5C26H33 A5B5C26D33 -164.67 6.06 -9.54 -1.46 0
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49595 11533330 1 SO4N5C25H29 AB4C5D25E29 -94.43 3.94 -8.85 -0.85 0
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49596 11533332 1 BrNSO3C24H34 ABCD3E24F34 -120.02 8.11 -8.57 0.21 0
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49597 11533334 1 O2P2H30C31 A2B2C30D31 -16.39 0.99 -8.73 0.17 0
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49598 11533336 1 F2N2O6C25H34 A2B2C6D25E34 -368.54 7.8 -9.11 -0.2 0
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49599 11533338 1 O5N6C25H32 A5B6C25D32 -143.73 2.09 -8.64 -1.03 0
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49600 11533339 1 O3N6C28H28 A3B6C28D28 -35.36 1.85 -8.91 -1.34 0
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49601 11533341 1 SN2O8C23H32 AB2C8D23E32 -343.24 4.12 -8.6 -0.75 0
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49602 11533344 1 SO3N4H24C28 AB3C4D24E28 26.27 9.96 -8.12 -1.18 0
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49603 11533345 1 SO4N6C24H28 AB4C6D24E28 -78.59 3.55 -8.73 -0.96 0
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49604 11533347 1 SiO6C28H36 AB6C28D36 -251.3 2.26 -9.11 -0.4 0
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49605 11533348 1 O6C29H52 A6B29C52 -321.21 2.47 -9.34 1.25 0
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49606 11533349 1 OCl3N3H20C26 AB3C3D20E26 33.76 2.66 -8.48 -1.29 0
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49607 11533350 1 ClN2O4C28H33 AB2C4D28E33 -180.16 11.65 -9.37 -0.76 0
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49608 11533355 1 O4N5H27C28 A4B5C27D28 -51.27 2.57 -8.97 -1.17 0
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49609 11533356 1 NF3O3C29H30 AB3C3D29E30 -240.38 3.91 -9.12 -0.56 0
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49610 11533357 1 SN5O5C24H27 AB5C5D24E27 -78.91 8.47 -8.81 -1.15 0
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49611 11533358 1 NS2O8C22H27 AB2C8D22E27 -186.91 4.56 -8.5 -0.59 0
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49612 11533359 1 O2F3N5C25H38 A2B3C5D25E38 -239.86 3.02 -8.99 -1.03 0
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49613 11533360 1 NSO4H27C30 ABC4D27E30 -24.84 1.55 -8.58 -1.13 0
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49614 11533361 1 SO2N5H27C28 AB2C5D27E28 7.37 2.4 -8.18 -0.9 0
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49615 11533365 1 N3O8C14H25 A3B8C14D25 -348.9 5.45 -9.26 -0.22 0
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49616 11533366 2 BrNH11C12 ABC11D12 98.39 0.43 -8.6 -1.89 0
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49617 11533370 1 F3O3N4C25H37 A3B3C4D25E37 -291.76 5.32 -8.86 -0.9 0
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49618 11533371 1 O2N8C27H30 A2B8C27D30 33.07 2.66 -8.31 -0.33 0
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49619 11533379 1 ClSN4O5H19C23 ABC4D5E19F23 -123.32 4.99 -9.38 -1.1 0
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49620 11533390 1 OSN3F4H21C26 ABC3D4E21F26 -127.5 6.87 -8.66 -0.89 0
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49621 11533394 1 SN3O6C25H29 AB3C6D25E29 -184.11 3.99 -8.88 -0.47 0
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49622 11533396 1 SO4N5C25H33 AB4C5D25E33 -118.83 10.99 -8.98 -0.74 0
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49623 11533397 1 F2N3O4C26H43 A2B3C4D26E43 -289.22 5.01 -9.36 -0.55 0
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49624 11533399 1 ClN3H26C33 AB3C26D33 128.41 2.38 -8.22 0.09 0
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49625 11533400 1 Si2Cl3F3C20H40 A2B3C3D20E40 -394.75 4.95 -9.69 -0.55 0
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49626 11533403 1 BOPF4C28H30 ABCD4E28F30 -319.04 14.87 -9.89 -0.96 1
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49627 11533404 1 OPC28H30 ABC28D30 64.84 8.57 0.0 0.0 0
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49628 11533410 1 FSN4O5C24H25 ABC4D5E24F25 -164.33 5.66 -9.03 -0.88 0
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49629 11533411 1 O3N4H24C31 A3B4C24D31 50.64 4.98 -8.64 -1.42 0
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49630 11533412 1 N2F3O3C28H31 A2B3C3D28E31 -200.61 2.86 -8.89 -0.89 0
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49631 11533415 1 SO4N6C24H32 AB4C6D24E32 -85.52 8.95 -8.92 -0.95 0
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49632 11533417 2 NOC12H17 ABC12D17 -62.59 3.97 -8.94 0.3 0
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49633 11533419 1 N2O3C32H40 A2B3C32D40 -110.53 5.56 -8.53 -0.11 0
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49634 11533422 1 ON2C34H48 AB2C34D48 -8.17 3.2 -8.47 -0.02 0
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49635 11533423 1 ClSN2O5C25H25 ABC2D5E25F25 -160.96 4.93 -9.1 -0.73 0
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49636 11533426 1 SN3O3F6H13C21 AB3C3D6E13F21 -310.94 6.34 -9.07 -1.63 0
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49637 11533427 1 S2N5O6H19C21 A2B5C6D19E21 -90.27 3.01 -9.62 -1.77 0
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49638 11533428 1 NO8C27H35 AB8C27D35 -322.57 8.12 -8.58 -1.0 0
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49639 11533430 1 O2N5H27C31 A2B5C27D31 38.32 3.71 -9.08 -0.93 0
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49640 11533431 1 O2F3N3C28H34 A2B3C3D28E34 -179.87 3.14 -9.06 -0.62 0
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49641 11533433 1 OSN5H23C30 ABC5D23E30 132.94 3.12 -9.1 -1.15 0
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49642 11533435 1 S2N3O5C24H27 A2B3C5D24E27 -143.91 4.39 -9.15 -1.1 0
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49643 11533439 1 NO4C31H51 AB4C31D51 -228.65 2.94 -9.24 0.24 0
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49644 11533442 1 ClOSeH23C29 ABCD23E29 84.91 3.14 -8.62 -0.36 0
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49645 11533443 1 ClSO4N7H20C21 ABC4D7E20F21 -22.52 7.9 -8.96 -0.92 0
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49646 11533444 1 ClS2N3O4H20C23 AB2C3D4E20F23 -116.23 2.57 -9.07 -1.16 0
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49647 11533445 1 ClSO2N3H24C28 ABC2D3E24F28 8.58 2.98 -8.87 -1.42 0
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49648 11533446 1 SN6O7C21H22 AB6C7D21E22 -126.42 6.96 -8.68 -2.07 0
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49649 11533448 1 OSF3N6C24H25 ABC3D6E24F25 -70.34 6.95 -8.79 -1.21 0
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49650 11533452 1 O3N6C28H34 A3B6C28D34 -47.68 0.97 -8.31 -0.74 0
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49651 11533454 1 PSSiN2O6C21H35 ABCD2E6F21G35 -385.52 2.92 -8.56 -0.02 0
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49652 11533455 1 SN6H26C30 AB6C26D30 174.69 5.58 -8.41 -0.89 0
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49653 11533459 1 O5C31H50 A5B31C50 -291.41 2.75 -9.07 1.05 0
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49654 11533476 1 N3O5C29H33 A3B5C29D33 -137.5 11.13 -8.74 -0.59 0
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49655 11533477 1 ON3C27H31 AB3C27D31 30.39 3.48 -8.56 -0.34 0
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49656 11533479 1 SO2N7C26H29 AB2C7D26E29 29.35 4.17 -8.61 -1.01 0
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49657 11533483 1 ClNF3O3H25C27 ABC3D3E25F27 -216.08 6.32 -9.15 -1.63 0
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49658 11533484 1 ClF3O3H8C12 AB3C3D8E12 -259.33 4.13 -9.55 -1.73 0
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49659 11533486 1 N3O3C28H41 A3B3C28D41 -139.25 8.02 -8.2 -0.1 0
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49660 11533488 1 Cl2N5O5H19C22 A2B5C5D19E22 -140.01 5.94 -8.85 -1.01 0
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49661 11533490 1 SN2F3O6C22H27 AB2C3D6E22F27 -383.0 7.4 -8.99 -1.78 0
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49662 11533491 2 N2O2H12C15 A2B2C12D15 -39.3 5.71 -8.96 -0.72 0
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49663 11533492 1 O3N6H24C29 A3B6C24D29 36.91 4.34 -9.07 -0.74 0
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49664 11533494 1 OF3N4H27C29 AB3C4D27E29 -79.61 4.03 -8.57 -0.63 0
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49665 11533495 1 SN4O5H24C26 AB4C5D24E26 -38.75 5.29 -9.28 -1.39 0
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49666 11533496 1 SO3N8C24H24 AB3C8D24E24 32.78 4.56 -8.47 -0.91 0
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49667 11533497 1 SN4O4C27H28 AB4C4D27E28 -84.48 6.55 -8.41 -1.3 0
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49668 11533498 1 SO2N8C25H28 AB2C8D25E28 81.82 4.76 -8.74 -1.28 0
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49669 11533499 2 N4C15H16 A4B15C16 148.86 3.14 -7.87 -0.63 0
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49670 11533500 1 O3N4C30H40 A3B4C30D40 -89.96 2.96 -8.9 -0.59 0
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49671 11533504 1 ClN2O3C30H33 AB2C3D30E33 -81.98 3.43 -8.74 -0.56 0
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49672 11533505 1 ClON6C28H33 ABC6D28E33 62.67 2.92 -8.46 -1.17 0
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49673 11533506 1 N5F6H21C25 A5B6C21D25 -201.7 9.79 -9.17 -1.13 0
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49674 11533508 1 OF3N7C25H34 AB3C7D25E34 -120.54 5.07 -7.88 -0.25 0
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49675 11533518 1 O3N6H26C29 A3B6C26D29 7.04 4.08 -9.02 -1.49 0
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49676 11533521 1 O3N4H30C31 A3B4C30D31 0.33 2.77 -8.83 -0.35 0
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49677 11533529 1 ON2C34H54 AB2C34D54 -54.37 3.28 -8.65 -0.03 0
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49679 11533532 1 N3C16H16 A3B16C16 99.21 3.46 0.0 0.0 0
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49680 11533533 1 ClO3N6C26H27 AB3C6D26E27 -35.87 4.2 -9.03 -0.7 0
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49682 11533536 1 O2N6C27H30 A2B6C27D30 14.38 4.41 -9.07 -1.04 0
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49683 11533542 1 ClSN5O5C22H26 ABC5D5E22F26 -146.97 8.13 -8.91 -1.1 0
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49684 11533545 2 BrNO2H8C10 ABC2D8E10 -65.51 4.05 -9.41 -0.88 0
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49685 11533546 1 SCl2N3O4C23H23 AB2C3D4E23F23 -121.28 3.07 -8.67 -1.17 0
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49686 11533550 1 O11C25H32 A11B25C32 -461.3 2.4 -8.95 0.04 0
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49687 11533551 1 SO5N6C24H24 AB5C6D24E24 -47.06 7.05 -8.92 -1.21 0