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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167606 74846898 1 ClO3N4C25H25 AB3C4D25E25 -51.49 4.97 -8.94 -1.21 0
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167607 74846899 1 ClO3N4H23C28 AB3C4D23E28 -9.18 8.35 -8.99 -1.57 0
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167608 74846900 1 Cl2O3N4H24C25 A2B3C4D24E25 -54.44 7.95 -8.96 -1.05 0
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167609 74846901 1 F3N4O4H19C23 A3B4C4D19E23 -216.06 7.87 -8.93 -1.17 0
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167610 74846902 1 F3O3N4H19C23 A3B3C4D19E23 -186.41 5.24 -8.91 -1.05 0
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167611 74846903 1 O3F4N4H22C29 A3B4C4D22E29 -210.01 8.31 -9.08 -1.1 0
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167612 74847084 1 ClO3N4H21C27 AB3C4D21E27 0.93 6.35 -8.77 -0.88 0
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167613 74847368 1 SN2O3C28H28 AB2C3D28E28 -53.12 7.84 -9.18 -0.7 0
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167614 74847649 2 ON2C9H11 AB2C9D11 -29.15 2.21 -8.76 -0.63 0
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167615 74847917 1 N5O5C28H39 A5B5C28D39 -141.53 4.92 -8.35 0.04 0
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167616 74848213 1 SCl2O3N6C27H36 AB2C3D6E27F36 -78.47 3.07 -8.89 -1.15 0
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167617 74848410 1 FO2N3H24C31 AB2C3D24E31 1.85 5.19 -8.38 -0.76 0
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167618 74848498 1 N3O4C24H27 A3B4C24D27 -139.1 2.19 -8.38 -0.21 1
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167619 74848499 1 N3O4H22C24 A3B4C22D24 -80.04 5.24 0.0 0.0 1
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167620 74848570 1 ClN3O3C16H21 AB3C3D16E21 -127.21 2.89 0.0 0.0 1
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167621 74848571 1 ClN3O3C20H21 AB3C3D20E21 -97.88 3.44 0.0 0.0 0
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167622 74848877 1 FSO2N4H25C27 ABC2D4E25F27 -6.99 8.98 -8.73 -0.78 0
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167623 74848906 1 FSO2N4H27C28 ABC2D4E27F28 -22.41 7.01 -8.74 -0.95 0
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167624 74848973 1 O4N6C25H34 A4B6C25D34 -108.63 4.14 -8.59 -0.89 0
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167625 74849228 1 NO2C16H17 AB2C16D17 -6.01 3.07 -8.8 -0.08 0
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167626 74849259 1 ClO2N3H10C15 AB2C3D10E15 4.56 2.19 -9.28 -1.1 0
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167627 74849260 1 BrFNO2H13C15 ABCD2E13F15 -41.56 2.07 -9.13 -0.61 0
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167628 74849694 1 N5O5C23H27 A5B5C23D27 -58.93 6.16 -8.86 -1.72 0
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167629 74849706 1 ClFON5H27C32 ABCD5E27F32 73.68 4.19 -9.06 -1.47 0
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167630 74850401 1 BrO3N5H20C21 AB3C5D20E21 9.88 2.7 -9.15 -1.48 0
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167631 74850498 1 ClO2F3N3C23H25 AB2C3D3E23F25 -213.43 4.39 -8.56 -1.11 0
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167632 74850499 4 NOH3C4 ABC3D4 -6.88 10.17 -8.75 -2.24 0
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167633 74850500 1 CoCl2N4O9C10H12 AB2C4D9E10F12 -65.03 3.02 0.0 0.0 0
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167634 74850573 1 S2O3N7C20H25 A2B3C7D20E25 -34.14 6.68 -8.94 -1.48 0
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167635 74850574 1 O2S2Cl3F3N4H8C16 A2B2C3D3E4F8G16 -118.35 1.48 -9.58 -2.2 0
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167636 74850575 1 SO2N4H24C25 AB2C4D24E25 6.63 7.9 -9.23 -0.8 0
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167637 74850668 1 S2N3O3C15H17 A2B3C3D15E17 -68.7 0.94 -8.89 -1.22 0
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167638 74851001 1 NCl2F2O3H11C17 AB2C2D3E11F17 -169.83 2.6 -9.2 -1.58 0
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167639 74851002 1 SCl2N2O6H20C21 AB2C2D6E20F21 -194.91 5.38 -9.33 -1.71 0
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167640 74851063 1 F2N2O6C19H20 A2B2C6D19E20 -248.3 4.5 -8.68 -0.86 0
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167641 74851064 2 FNO2C9H9 ABC2D9E9 -176.09 2.86 -8.88 -0.94 0
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167642 74851299 1 S2N3O4H19C20 A2B3C4D19E20 -23.59 6.41 -9.31 -0.99 0
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167643 74851683 1 NOC19H21 ABC19D21 -14.22 4.0 -8.67 -0.52 0
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167644 74851684 1 NO4H13C16 AB4C13D16 -31.73 9.65 -9.81 -1.5 0
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167645 74851685 1 NOSF2H11C14 ABCD2E11F14 -75.74 4.42 -9.05 -1.16 0
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167646 74851881 1 N2S2O4C23H30 A2B2C4D23E30 -110.37 3.52 -8.64 -0.94 0
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167647 74851953 1 O2N3C15H21 A2B3C15D21 -26.75 2.33 -8.1 -0.06 0
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167648 74851954 2 ON2C7H10 AB2C7D10 33.55 6.58 -8.67 -1.35 0
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167649 74852472 1 NSO3C19H23 ABC3D19E23 -71.78 4.32 -8.33 -0.41 0
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167650 74852519 1 SN2O3C19H22 AB2C3D19E22 -75.2 4.73 -8.72 -1.1 0
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167651 74852833 1 ClF2O2N3H18C21 AB2C2D3E18F21 -104.75 2.54 -9.38 -0.88 0
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167652 74852834 1 ClN3O3H20C22 AB3C3D20E22 -41.81 2.88 -9.43 -1.11 0
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167653 74852835 1 ClN3O3C25H28 AB3C3D25E28 -49.9 2.42 -8.36 -0.41 0
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167654 74853303 1 SO2N4C16H18 AB2C4D16E18 15.67 6.46 -8.2 -0.52 0
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167655 74853472 1 SN3O6C25H29 AB3C6D25E29 -180.02 5.24 -9.65 -1.28 0