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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226620 87544441 2 BrN2F3O3C23H26 AB2C3D3E23F26 -538.44 4.65 -9.05 -0.3 0
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226621 87544443 2 N2O4C29H38 A2B4C29D38 -320.26 4.82 -8.24 -0.03 0
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226622 87544447 1 Cl2O3N7H15C19 A2B3C7D15E19 43.8 8.32 -9.05 -1.09 0
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226623 87544448 1 ON2F6C17H20 AB2C6D17E20 -326.8 6.38 -8.99 -0.62 0
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226624 87544453 1 SN3O6C23H23 AB3C6D23E23 -148.29 4.19 -9.2 -0.87 0
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226625 87544454 1 MgH4O6C8 AB4C6D8 -112.53 5.95 -9.98 -4.08 0
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226626 87544463 1 SN3O3F4H15C20 AB3C3D4E15F20 -214.91 5.81 -9.33 -1.22 0
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226627 87544466 1 SN3O3F4H13C20 AB3C3D4E13F20 -199.46 1.75 -9.37 -1.21 0
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226628 87544468 1 ON2F3H13C20 AB2C3D13E20 -60.82 5.59 -9.04 -0.82 0
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226629 87550790 1 SF4O4N6H24C26 AB4C4D6E24F26 -278.39 5.77 -9.66 -1.54 0
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226630 87550801 1 SN4H18C24 AB4C18D24 149.47 1.94 -8.8 -1.15 0
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226631 87550803 1 ON2S3C8H18 AB2C3D8E18 -27.8 6.56 -8.08 -1.21 0
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226632 87550941 1 FNOC19H20 ABCD19E20 -33.89 3.39 -8.9 -0.03 0
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226633 87550942 1 OH12C14 AB12C14 39.19 2.03 -9.47 0.11 0
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226634 87550943 1 O2F3N5H28C29 A2B3C5D28E29 -110.01 2.37 -9.62 -0.73 0
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226635 87550944 2 ON2F3H7C11 AB2C3D7E11 -254.44 4.34 -9.43 -1.53 0
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226636 87550945 1 SN2O7C20H38 AB2C7D20E38 -335.03 7.72 -8.4 -0.53 0
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226637 87550947 2 NOSC2H4 ABCD2E4 -98.64 0.06 -9.45 -0.53 0
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226638 87550948 2 OH12C16 AB12C16 38.62 2.71 -8.64 -0.67 0
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226639 87550949 1 BrINOF3H10C11 ABCDE3F10G11 -160.11 2.96 -9.63 -2.07 0
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226640 87550950 1 F3N3O4C22H32 A3B3C4D22E32 -329.3 6.05 -8.55 -0.49 0
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226641 87550951 1 ClN2O3C20H29 AB2C3D20E29 -121.79 1.74 -9.46 -0.27 0
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226642 87550952 1 PN3O3C12H30 AB3C3D12E30 -256.39 6.34 -9.52 1.38 0
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226643 87550953 1 PN2O3C6H17 AB2C3D6E17 -211.64 2.7 -9.45 0.89 0
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226644 87550954 1 PO7C19H19 AB7C19D19 -205.3 7.93 -8.93 -0.62 0
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226645 87550956 1 O4C17H24 A4B17C24 -129.9 4.16 -8.2 0.16 0
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226646 87550957 2 O3C6H8 A3B6C8 -227.81 3.92 -10.64 -0.45 0
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226647 87550958 1 FO2N3H16C19 AB2C3D16E19 67.15 3.34 -9.04 -1.18 0
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226648 87550959 1 ClS2N4O5H29C33 AB2C4D5E29F33 -73.47 1.6 -8.63 -1.0 -1
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226650 87550961 1 MgNaH5C6O7 ABC5D6E7 -368.93 7.27 -9.45 -1.03 0
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226651 87550962 1 SO3C4F5H5 AB3C4D5E5 -399.43 5.55 -12.25 -0.92 0
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226652 87550964 1 ClFNO7H17C21 ABCD7E17F21 -174.71 5.63 -9.54 -1.22 0
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226653 87550968 1 N4O4Si4C19H46 A4B4C4D19E46 -376.41 5.54 -9.51 0.83 0
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226654 87550969 1 NF6H15C17 AB6C15D17 -269.97 2.1 -8.26 -1.52 2
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226655 87550970 1 BrCP2H3O6 ABC2D3E6 -342.8 4.33 -10.95 -1.5 0
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226656 87550971 1 NSC6O6H15 ABC6D6E15 -281.36 2.73 -10.18 -0.26 0
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226657 87550980 1 NO3C4H11 AB3C4D11 -154.35 2.07 -9.82 1.78 0
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226658 87550981 1 BrN4S5O7H23C29 AB4C5D7E23F29 -92.43 14.2 -9.02 -1.54 0
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226659 87550983 2 ON2H8C9 AB2C8D9 109.85 3.84 -9.11 -1.21 0
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226660 87550984 1 ClFON2C10H10 ABCD2E10F10 -29.49 5.59 -10.13 -0.78 1
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226661 87550985 1 ClSN2O4C12H26 ABC2D4E12F26 -183.5 4.83 0.0 0.0 1
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226662 87550986 1 ClSN2O4C12H26 ABC2D4E12F26 -184.87 5.29 0.0 0.0 0
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226663 87550988 1 ClF3N3O5C29H35 AB3C3D5E29F35 -358.9 11.68 -9.66 -0.87 0
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226664 87550989 2 ClO2S2N3C26H32 AB2C2D3E26F32 -84.71 4.33 -8.31 -1.42 0
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226665 87550990 1 FSN4O5H23C24 ABC4D5E23F24 -163.21 8.45 -8.82 -1.41 0
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226666 87550995 1 ClOSN4C15H17 ABCD4E15F17 29.82 2.81 -9.11 -0.8 0
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226667 87550999 1 NSCl2O3H13C14 ABC2D3E13F14 -87.18 10.13 -8.61 -1.23 0
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226668 87551002 2 NPO4C8H20 ABC4D8E20 -509.71 22.84 -9.22 -0.96 2
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226669 87551004 2 NPO4C8H22 ABC4D8E22 -410.09 21.04 -5.42 -0.39 0
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226670 87551006 1 ClSN2O5H27C28 ABC2D5E27F28 -112.78 2.45 -8.84 -1.22 0