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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425537 135126655 1 N3C13H13 A3B13C13 66.06 4.87 -10.1 -0.58 0
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425538 135126656 1 N3O4C17H23 A3B4C17D23 -114.13 6.7 -9.48 -0.08 0
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425539 135126657 1 N3O4C17H23 A3B4C17D23 -120.12 4.52 -9.38 -0.28 0
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425540 135126658 1 O3N4C35H38 A3B4C35D38 -12.54 2.15 -8.34 -0.56 0
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425541 135126661 1 SO5N9C36H43 AB5C9D36E43 -43.34 11.19 -9.26 -0.93 0
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425542 135126668 1 F2C9H14 A2B9C14 -102.26 0.3 -9.1 0.02 0
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425543 135126671 1 N7H35C48 A7B35C48 407.38 3.41 -8.22 -0.8 0
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425544 135126672 2 SO2H9C10 AB2C9D10 -68.67 1.78 -8.24 -0.31 0
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425545 135126675 1 N2O3H16C20 A2B3C16D20 -25.36 2.24 -8.57 -0.88 0
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425546 135126677 1 ClON4C13H13 ABC4D13E13 16.03 3.64 -9.07 -1.09 0
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425547 135126678 1 FON6C19H19 ABC6D19E19 0.33 2.79 -8.71 -0.9 0
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425548 135126679 1 ClON7C16H16 ABC7D16E16 69.95 6.08 -9.19 -0.95 0
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425549 135126681 1 ClON7C17H18 ABC7D17E18 59.44 7.15 -9.15 -0.91 0
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425550 135126682 1 ClON7C16H16 ABC7D16E16 60.39 6.73 -9.12 -0.96 0
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425551 135126683 1 O2N8C21H24 A2B8C21D24 43.61 9.66 -8.88 -0.61 0
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425552 135126685 1 ClON7C17H18 ABC7D17E18 59.78 4.81 -9.33 -1.11 0
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425553 135126689 1 O2N3C15H17 A2B3C15D17 -23.67 2.42 -9.7 -1.05 0
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425554 135126690 4 OC3H6 AB3C6 -228.47 3.76 -10.19 0.71 0
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425555 135126692 3 OC6H12 AB6C12 -215.95 3.74 -10.45 0.68 0
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425556 135126693 1 O4C35H68 A4B35C68 -335.84 2.17 -10.68 0.65 0
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425557 135126694 1 O4C41H80 A4B41C80 -367.64 1.89 -10.68 0.63 0
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425558 135126698 1 C4H5N5 A4B5C5 104.23 4.45 -9.23 -0.53 0
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425559 135126700 1 F3O3N6H31C32 A3B3C6D31E32 -176.34 2.48 -9.29 -0.76 0
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425563 135126725 1 N3O5C15H23 A3B5C15D23 -208.36 6.39 -9.58 -1.96 0
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425564 135126732 1 N3O3C22H23 A3B3C22D23 -56.22 5.82 -8.35 -0.89 0
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425565 135126735 1 N3O3C22H23 A3B3C22D23 -56.32 8.11 -8.64 -0.66 0
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425566 135126736 1 FN3O4C24H26 AB3C4D24E26 -168.74 6.48 -8.44 -1.13 0
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425567 135126739 1 O2N3C19H23 A2B3C19D23 41.15 3.76 -8.83 -1.37 0
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425568 135126741 1 N3O3C19H23 A3B3C19D23 -2.94 7.24 -8.23 -1.14 0
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425569 135126742 1 ON3C20H27 AB3C20D27 -0.06 2.6 -8.28 0.37 0
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425570 135126744 1 O2N3C18H21 A2B3C18D21 39.34 4.76 -8.18 -1.32 0
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425571 135126751 1 N3O4C24H29 A3B4C24D29 -117.61 6.35 -8.36 -0.84 0
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425572 135126756 1 FN3O4C24H28 AB3C4D24E28 -164.85 5.66 -8.48 -0.89 0
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425573 135126763 1 N3O5C25H31 A3B5C25D31 -152.41 7.11 -7.97 -0.88 0
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425574 135126764 1 N3O4C23H27 A3B4C23D27 -108.71 5.83 -8.34 -0.9 0
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425575 135126768 3 NOC7H7 ABC7D7 -51.05 7.26 -8.56 -0.74 0
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425576 135126769 1 N3O3C22H23 A3B3C22D23 -55.55 5.71 -8.43 -0.85 0
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425577 135126770 1 N3O4C22H23 A3B4C22D23 -87.54 6.31 -8.47 -0.89 0
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425578 135126771 1 N3O3C23H25 A3B3C23D25 -69.93 6.74 -8.32 -0.82 0
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425579 135126776 1 N3O5C24H25 A3B5C24D25 -122.98 6.76 -8.73 -0.85 0
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425580 135126790 1 N3O3C22H23 A3B3C22D23 -52.47 5.11 -8.22 -0.96 0
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425581 135126794 1 ClFON3H19C20 ABCD3E19F20 -27.72 5.35 -8.46 -0.69 0
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425582 135126796 1 ClFON3C21H21 ABCD3E21F21 -36.55 6.7 -8.46 -0.58 0
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425583 135126800 1 NO5C13H15 AB5C13D15 -184.8 5.35 -9.27 -1.07 0
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425584 135126802 1 NO5C14H17 AB5C14D17 -193.53 5.17 -9.18 -0.95 0
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425585 135126804 1 ON3I4C18H27 AB3C4D18E27 6.0 2.89 -8.02 -1.83 0
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425586 135126809 1 N2C25H26 A2B25C26 52.03 3.58 -8.67 -0.47 0
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425587 135126812 1 S2O3N5C21H29 A2B3C5D21E29 -48.9 7.2 -8.55 -0.84 0
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425588 135126816 1 O3N4C23H24 A3B4C23D24 -52.14 1.6 -9.35 -1.74 0
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425589 135126822 1 ON2C15H16 AB2C15D16 -7.34 3.35 -8.09 -0.21 0
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425590 135126823 1 S2O3N5C28H37 A2B3C5D28E37 -30.77 7.4 -8.86 -1.08 0
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425591 135126832 2 NSO3C12H12 ABC3D12E12 -169.36 8.19 -9.22 -1.81 0
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425592 135126833 1 SO2N4H16C20 AB2C4D16E20 70.53 7.07 -9.42 -1.17 0
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425593 135126835 1 IO5C25H35 AB5C25D35 -199.67 3.01 -8.78 -2.19 0
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425594 135126836 1 NO3C16H21 AB3C16D21 -134.61 1.86 -8.62 -0.5 0
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425595 135126837 1 Cl2N2O2H14C15 A2B2C2D14E15 -41.29 2.83 -9.48 -0.88 0
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425596 135126840 2 SN2C6H10 AB2C6D10 29.25 4.94 -8.8 0.06 0
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425597 135126890 1 F2N3O6C19H19 A2B3C6D19E19 -306.97 6.44 -9.49 -1.03 0
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425598 135126892 1 F2N4O5C19H20 A2B4C5D19E20 -266.79 9.38 -8.76 -0.91 0
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425599 135126894 1 F3N3O6H18C19 A3B3C6D18E19 -352.21 5.03 -9.54 -1.27 0
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425600 135126911 2 NOC6H9 ABC6D9 -68.6 2.52 -9.28 0.18 0
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425601 135126913 1 ON2C14H14 AB2C14D14 89.52 3.67 -9.02 -1.19 0
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425602 135126916 1 OSN2C16H16 ABC2D16E16 12.76 2.75 -8.33 -0.42 0
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425603 135126926 1 NOC6H13 ABC6D13 -64.56 2.83 -9.43 2.62 0
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425604 135126930 1 S2C17H28 A2B17C28 -12.79 3.27 -8.73 0.56 0
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425605 135126933 1 SN3H29C48 AB3C29D48 244.45 3.75 -8.08 -1.08 0
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425606 135126935 1 O71C120H200 A71B120C200 -3368.74 8.95 -10.03 -0.33 0
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425607 135126937 1 O10C39H44 A10B39C44 -348.16 3.6 -8.82 -0.63 0
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425608 135126939 1 PN4O4C16H23 AB4C4D16E23 -65.15 6.81 -8.77 -0.57 0
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425609 135126951 1 ClN2O4C20H21 AB2C4D20E21 -94.12 3.07 -9.31 -0.53 0
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425610 135126952 1 F3O5C24H29 A3B5C24D29 -373.3 3.93 -9.83 0.12 0
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425611 135126953 1 O5C23H30 A5B23C30 -214.18 2.12 -9.56 0.13 0
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425613 135126955 1 H3N3O3C5 A3B3C3D5 -40.32 5.87 -10.69 -1.93 1
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425614 135126985 1 N3S3O30C79H116 A3B3C30D79E116 -1136.5 14.94 0.0 0.0 0
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425616 135126996 1 SO2C15H24 AB2C15D24 -92.85 2.05 -8.4 0.06 0