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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406483 135077803 1 SN5C15H15 AB5C15D15 92.66 5.59 -8.56 -1.12 0
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406484 135077804 1 SN5H19C21 AB5C19D21 119.43 5.23 -8.56 -1.13 0
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406485 135077805 1 ClIC16H28 ABC16D28 -40.27 2.59 -9.06 -0.49 0
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406486 135077806 1 BrC20H21 AB20C21 50.12 2.14 -9.04 0.1 0
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406487 135077807 1 ClN2O2C17H19 AB2C2D17E19 -61.22 6.26 -8.66 -0.11 0
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406488 135077808 1 ClON2C13H19 ABC2D13E19 -67.16 4.97 -9.44 0.19 0
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406489 135077809 1 ClSN2O4H13C15 ABC2D4E13F15 93.01 12.34 -9.73 -3.04 0
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406490 135077810 1 NC21H23 AB21C23 101.09 1.3 -8.86 -0.14 0
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406491 135077811 1 NSO2C16H21 ABC2D16E21 -10.13 6.22 -9.66 -0.43 0
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406493 135077813 1 SeC5H5 AB5C5 50.71 1.0 0.0 0.0 0
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406494 135077814 1 NSSiO3C20H31 ABCD3E20F31 -109.48 5.94 -8.74 -0.59 0
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406495 135077815 1 Na2O5H10C11 A2B5C10D11 -270.8 17.06 -8.58 -0.23 0
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406496 135077816 1 NSO3H23C24 ABC3D23E24 -48.9 5.43 -8.21 -0.32 0
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406497 135077818 1 BrON3C25H28 ABC3D25E28 34.21 4.1 -8.08 0.03 0
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406498 135077819 1 LiOC18H35 ABC18D35 -15.11 30.45 -4.48 -0.58 0
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406499 135077820 1 ClNSO3C14H18 ABCD3E14F18 -81.35 2.86 -8.33 -0.43 0
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406500 135077821 1 NSSiO2C28H37 ABCD2E28F37 10.71 4.93 -8.46 0.04 0
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406501 135077822 1 OC15H18 AB15C18 11.11 2.07 -9.56 0.11 0
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406502 135077823 1 ClOH13C17 ABC13D17 48.61 1.9 -9.43 -0.48 0
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406503 135077824 1 O3C17H26 A3B17C26 -87.34 2.22 -9.59 0.63 0
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406504 135077825 1 ClNOSiC11H24 ABCDE11F24 -113.9 2.42 -8.88 0.03 0
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406505 135077826 1 O2N5H17C18 A2B5C17D18 79.05 5.1 -8.68 -1.35 0
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406506 135077827 1 ON6C19H20 AB6C19D20 117.65 5.63 -8.26 -1.17 0
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406507 135077828 1 ClNO2H12C16 ABC2D12E16 -17.28 1.02 -9.57 -1.19 0
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406508 135077856 1 NO2C12H17 AB2C12D17 -12.96 3.19 -9.12 -0.23 0
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406509 135077879 1 OSnS2C11H16 ABC2D11E16 -47.62 1.04 -8.19 -0.5 0
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406510 135077887 1 ClO2N3H8C13 AB2C3D8E13 48.72 4.49 -9.14 -1.48 0
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406511 135077906 1 NO3H15C17 AB3C15D17 -47.92 3.87 -9.24 -0.9 0
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406512 135077907 1 O4C17H20 A4B17C20 -123.3 2.79 -9.74 -0.07 0
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406513 135077934 1 CrNO4C18H23 ABC4D18E23 -135.04 5.36 -8.17 -0.16 0
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406514 135077947 1 PN2O3H17C20 AB2C3D17E20 -1.38 4.45 -9.92 -1.5 0
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406515 135077948 1 NOPH20C21 ABCD20E21 -6.29 3.42 -9.43 -0.08 0
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406516 135077949 1 NPO2H20C21 ABC2D20E21 -37.26 2.76 -8.98 -0.12 0
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406517 135077950 1 NOSF3C13H16 ABCD3E13F16 -171.79 2.58 -8.59 -0.35 0
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406518 135077951 1 NSO2F3C13H16 ABC2D3E13F16 -203.9 3.81 -8.62 -0.52 0
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406519 135077952 1 ClNOSF3C12H13 ABCDE3F12G13 -171.68 3.97 -8.81 -0.85 0
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406520 135077953 1 SiO3C10H20 AB3C10D20 -189.63 2.15 -9.0 0.19 0
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406521 135077954 1 BrMgOC4H9 ABCD4E9 -117.42 2.78 -9.94 -0.6 0
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406522 135077955 1 ClSO2N4H27C32 ABC2D4E27F32 120.72 8.23 -7.92 -1.37 0
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406523 135077956 2 NOC6H10 ABC6D10 -70.73 1.77 -10.13 -0.63 1
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406524 135077957 1 N2O2C12H21 A2B2C12D21 -57.18 6.83 0.0 0.0 0
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406525 135077958 1 O5C12H12 A5B12C12 -156.4 1.16 -9.02 -0.41 0
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406526 135077959 1 SN5H11C16 AB5C11D16 131.07 4.71 -8.64 -1.15 0
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406527 135077960 1 ClN4H9C13 AB4C9D13 125.74 3.41 -8.99 -1.23 0
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406528 135077961 1 ClO2N4H15C16 AB2C4D15E16 43.7 4.28 -8.47 -1.25 0
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406529 135077962 1 O2N4C17H18 A2B4C17D18 43.72 5.49 -8.34 -0.89 0
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406530 135077963 1 ClFO2N4H14C16 ABC2D4E14F16 -1.87 5.38 -8.57 -1.3 0
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406531 135077964 1 ClO2N4C19H21 AB2C4D19E21 28.55 4.41 -8.45 -1.25 0
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406532 135077965 1 ON3H9C10 AB3C9D10 32.8 5.65 -9.23 -1.3 0
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406533 135077966 1 O5C9H14 A5B9C14 -213.58 3.4 -10.04 0.0 0
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406534 135077967 1 NSO2C17H23 ABC2D17E23 -14.73 6.35 -9.59 -0.32 0
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406535 135077968 1 NSO2C15H19 ABC2D15E19 -17.89 6.26 -9.62 -0.37 0
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406536 135077969 1 NSO2C17H21 ABC2D17E21 14.87 6.44 -9.52 -0.4 0
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406537 135077970 1 NSO2C21H23 ABC2D21E23 4.55 6.03 -9.22 -0.35 0
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406538 135078004 2 NC5H8 AB5C8 28.84 2.38 -8.24 0.42 0
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406539 135078008 1 NSO2C19H27 ABC2D19E27 -64.54 5.45 -9.36 -0.36 0
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406540 135078013 1 NS2O3C25H35 AB2C3D25E35 -108.98 3.99 -8.6 0.12 -2
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406542 135078015 1 CrO4H20C23 AB4C20D23 -6.43 2.79 -7.5 -0.4 0
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406543 135078016 1 OC20H20 AB20C20 47.38 1.32 -8.48 -0.4 0
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406544 135078017 1 CrO4H16C17 AB4C16D17 47.03 4.35 -7.61 -0.4 0
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406545 135078018 1 OC14H16 AB14C16 -26.23 3.71 -8.71 0.05 0
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406546 135078019 1 BNF3C14H29 ABC3D14E29 -260.62 18.1 -9.09 -0.56 0
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406547 135078020 1 BNF3C10H21 ABC3D10E21 -237.29 18.32 -9.73 -0.59 0
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406548 135078022 1 NOPC22H22 ABCD22E22 -16.8 2.66 -9.25 -0.02 0
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406549 135078023 1 BrNC18H18 ABC18D18 81.44 1.37 -8.31 -0.25 0
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406550 135078025 1 BrMgOC6H13 ABCD6E13 -126.24 3.6 -9.96 -0.57 0
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406551 135078026 1 BrMgOSiC6H15 ABCDE6F15 -162.2 6.66 -9.43 -0.33 0
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406552 135078027 1 SN2O5C18H22 AB2C5D18E22 -167.56 8.29 -8.89 -0.97 0
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406553 135078028 1 ON2F3C5H5 AB2C3D5E5 -177.09 5.58 -10.48 -0.42 0
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406554 135078029 1 F3O3N4C20H21 A3B3C4D20E21 -166.91 5.33 -8.61 -1.21 0
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406555 135078030 1 F3O3N4C20H21 A3B3C4D20E21 -165.34 4.68 -8.6 -1.33 0
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406556 135078031 1 O2Cl3N4H15C17 A2B3C4D15E17 22.46 2.02 -8.76 -1.49 0
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406557 135078032 1 O2Cl3N4H15C17 A2B3C4D15E17 26.31 1.09 -8.71 -1.43 0
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406558 135078033 1 ClO2F3N4H16C18 AB2C3D4E16F18 -120.06 6.88 -8.74 -1.46 -1
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406559 135078035 1 CdC2F5 AB2C5 -216.94 5.93 0.0 0.0 0