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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223724 85335480 1 OF4N5C27H29 AB4C5D27E29 -157.04 6.44 -9.03 -0.74 0
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223725 85335482 1 F3N4O6C23H31 A3B4C6D23E31 -379.92 3.91 -9.39 -0.92 0
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223726 85335484 1 F3N4O5C24H35 A3B4C5D24E35 -351.07 4.23 -9.77 -0.63 0
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223727 85335486 1 O2N3F6C25H29 A2B3C6D25E29 -371.7 5.6 -9.39 -1.04 0
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223728 85335487 1 O4N7C27H35 A4B7C27D35 -64.85 5.78 -8.73 -0.77 0
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223731 85335491 1 N5O9C22H41 A5B9C22D41 -449.84 3.28 -9.62 -0.32 0
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223732 85335492 1 ClSN4O5C24H29 ABC4D5E24F29 -173.65 8.34 -9.71 -1.47 0
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223733 85335493 1 Cl2N2O5C26H30 A2B2C5D26E30 -218.27 4.97 -9.12 -1.18 0
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223734 85335496 1 F3O7C27H29 A3B7C27D29 -403.85 12.36 -9.71 -0.96 0
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223735 85335497 1 OCl2N3C30H33 AB2C3D30E33 1.88 1.43 -8.94 -0.49 0
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223736 85335498 1 FSO3N6C26H27 ABC3D6E26F27 -74.25 6.74 -8.61 -0.63 0
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223737 85335502 1 ClFOSN4C28H28 ABCDE4F28G28 0.42 2.72 -8.48 -0.94 0
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223738 85335503 1 NO4F8H17C23 AB4C8D17E23 -481.52 2.85 -9.49 -0.88 0
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223739 85335504 1 Cl2O2N5C27H35 A2B2C5D27E35 -60.23 7.0 -8.68 -0.57 0
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223740 85335505 1 O12C25H32 A12B25C32 -452.73 3.58 -8.2 -0.03 0
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223741 85335509 1 O4N9C25H35 A4B9C25D35 -95.99 10.75 -9.05 -0.42 0
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223742 85335511 1 N4O10C23H34 A4B10C23D34 -454.69 3.73 -8.22 -0.54 1
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223743 85335513 1 PSN3O9C21H25 ABC3D9E21F25 -238.47 3.14 0.0 0.0 0
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223744 85335514 1 ClSN3O4C27H30 ABC3D4E27F30 -109.82 5.49 -9.62 -0.72 0
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223745 85335515 1 ClNSO4C29H34 ABCD4E29F34 -148.58 3.86 -8.42 -0.34 0
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223746 85335516 1 N4O4F6H18C23 A4B4C6D18E23 -380.48 10.1 -10.09 -1.41 0
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223748 85335520 1 ClF4N4O6H15C21 AB4C4D6E15F21 -239.87 0.78 -9.95 -1.74 0
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223749 85335521 1 SF3N3O4C26H32 AB3C3D4E26F32 -287.53 4.08 -8.36 -1.36 0
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223750 85335523 1 FSO4N5H24C27 ABC4D5E24F27 -38.49 4.75 -8.82 -0.85 1
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223751 85335524 1 O4N5C30H38 A4B5C30D38 -100.27 8.78 0.0 0.0 0
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223752 85335525 1 O4N5C30H37 A4B5C30D37 -68.84 4.99 -8.51 -1.38 0
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223753 85335527 1 Cl2O3N4H24C28 A2B3C4D24E28 -21.59 4.54 -8.71 -1.1 0
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223754 85335528 1 Cl2O3N4H24C28 A2B3C4D24E28 -8.81 1.76 -8.4 -0.9 0
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223755 85335529 1 Cl2O3N4H24C28 A2B3C4D24E28 -12.13 3.93 -8.28 -1.05 0
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223756 85335530 1 FSN3O6C26H34 ABC3D6E26F34 -265.11 3.82 -9.06 -0.57 0
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223758 85335533 1 OCl2N6C28H30 AB2C6D28E30 53.05 4.56 -8.17 -1.17 0
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223759 85335535 3 NO2C10H13 AB2C10D13 -248.51 2.88 -8.96 -0.39 0
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223760 85335536 1 O4N10C25H34 A4B10C25D34 -93.1 7.54 -8.74 -1.0 0
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223761 85335537 1 OSF3N5C28H28 ABC3D5E28F28 -93.72 1.99 -8.66 -0.85 0
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223762 85335538 1 ClFSN3O5C25H31 ABCD3E5F25G31 -230.74 1.46 -9.1 -0.83 0
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223763 85335539 1 ClFSN3O5C25H31 ABCD3E5F25G31 -230.58 3.9 -9.16 -0.84 0
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223764 85335540 1 FSN4O5C27H29 ABC4D5E27F29 -180.96 3.49 -8.41 -0.81 1
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223765 85335542 1 O4N5C31H34 A4B5C31D34 -44.53 6.13 0.0 0.0 0
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223766 85335543 1 O4N5C31H33 A4B5C31D33 -12.27 5.81 -9.28 -1.88 0
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223767 85335544 1 FSN4O6C26H27 ABC4D6E26F27 -193.54 5.7 -8.82 -0.68 0
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223768 85335546 1 OF4N4C30H34 AB4C4D30E34 -179.52 7.5 -8.96 -0.88 0
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223769 85335547 2 N3O4C12H21 A3B4C12D21 -400.03 3.15 -9.87 0.06 0
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223770 85335549 1 N6O9C23H40 A6B9C23D40 -466.17 8.42 -9.76 -0.12 0
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223772 85335551 1 F2S2N3O6C23H29 A2B2C3D6E23F29 -259.97 2.85 -8.86 -1.15 0
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223773 85335552 1 SCl2N3O6C23H29 AB2C3D6E23F29 -238.7 1.55 -9.32 -0.64 0
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223774 85335554 2 N2O2C16H21 A2B2C16D21 -151.03 4.86 -9.36 -0.21 0
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223775 85335555 1 FSN6O6C24H29 ABC6D6E24F29 -148.71 2.06 -9.43 -1.16 0
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223776 85335556 1 ClSN4O4C27H37 ABC4D4E27F37 -165.6 1.49 -8.63 -1.24 0
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223777 85335557 1 Cl2O3N4H26C29 A2B3C4D26E29 -38.03 3.57 -8.55 -1.07 0
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223778 85335558 1 NO3F8H23C26 AB3C8D23E26 -453.32 6.28 -9.14 -0.82 1
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223779 85335559 1 N2F3O6C28H32 A2B3C6D28E32 -307.24 22.35 0.0 0.0 0
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223780 85335560 1 FO4N7C28H36 AB4C7D28E36 -103.79 6.5 -8.65 -0.72 0
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223781 85335561 1 FO4N7C28H36 AB4C7D28E36 -100.51 6.92 -8.77 -0.82 0
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223782 85335562 1 FO4N7C28H36 AB4C7D28E36 -131.41 5.01 -8.66 -0.71 0
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223783 85335563 1 FO4N7C28H36 AB4C7D28E36 -129.59 7.04 -8.72 -0.76 2
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223785 85335565 1 SCl3N3O3C25H30 AB3C3D3E25F30 -115.41 0.52 -9.06 -1.37 0
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223786 85335566 1 ClF3O3N4C27H30 AB3C3D4E27F30 -243.93 7.22 -9.23 -0.96 0
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223787 85335568 1 Cl2O5C30H40 A2B5C30D40 -245.85 10.29 -9.83 -0.44 0
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223788 85335569 1 SN4O5C29H36 AB4C5D29E36 -115.42 6.87 -8.98 -0.85 0
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223789 85335570 1 S2O3N6C27H32 A2B3C6D27E32 -25.12 3.83 -8.38 -1.26 0
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223790 85335572 2 N3O4C13H15 A3B4C13D15 -276.81 8.29 -8.78 -0.73 0
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223791 85335573 1 FN4O5H27C31 AB4C5D27E31 -94.81 7.04 -9.12 -0.88 0
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223792 85335575 1 OC40H60 AB40C60 -23.76 3.3 -8.01 -0.05 0
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223793 85335576 1 N5O7C27H51 A5B7C27D51 -391.21 3.24 -9.55 0.1 0
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223794 85335577 1 ClON5C33H40 ABC5D33E40 -0.35 3.38 -8.99 -0.88 0
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223796 85335580 1 ISN5O7H16C17 ABC5D7E16F17 -77.84 3.89 -9.64 -2.49 0
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223797 85335586 1 SF3N3O4C28H34 AB3C3D4E28F34 -337.84 6.26 -8.36 -1.06 0
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223798 85335588 1 ClNO3F7H23C26 ABC3D7E23F26 -436.75 2.44 -9.28 -0.6 0
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223799 85335589 2 NO3C17H17 AB3C17D17 -178.02 5.7 -8.15 -0.44 0
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223800 85335590 1 F2O4N7C28H35 A2B4C7D28E35 -166.07 9.0 -8.72 -0.76 0
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223801 85335591 1 Cl2N5C32H43 A2B5C32D43 34.53 3.08 -8.39 -0.38 0
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223802 85335593 1 Cl2N4O4C29H30 A2B4C4D29E30 -111.5 4.73 -8.56 -0.98 0
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223804 85335595 1 S2O9H26C28 A2B9C26D28 -276.48 5.24 -9.36 -1.45 0
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223805 85335597 1 N3O3F6C28H31 A3B3C6D28E31 -418.66 3.5 -9.31 -1.25 0
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223806 85335598 2 N3O5C12H20 A3B5C12D20 -486.89 11.57 -10.02 -0.31 0