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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427511 135159475 1 NS2H7C11 AB2C7D11 63.13 1.88 -8.6 -1.12 0
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427512 135159476 1 NS2C49H53 AB2C49D53 194.64 3.62 -8.21 -0.17 0
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427513 135159477 1 NO2H33C36 AB2C33D36 130.36 4.42 -8.43 -0.3 0
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427514 135159478 1 NS2C44H51 AB2C44D51 238.93 6.09 -7.37 -0.87 0
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427515 135159479 1 ON2H14C18 AB2C14D18 55.21 4.4 -8.01 -0.43 0
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427516 135159480 2 NOSH18C23 ABCD18E23 143.33 1.71 -8.24 -0.54 0
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427517 135159481 1 O2S2H38C49 A2B2C38D49 149.62 1.69 -8.13 -0.33 0
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427518 135159503 2 O2C22H43 A2B22C43 -347.24 3.2 -9.15 1.39 0
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427519 135159506 1 N2O2H38C47 A2B2C38D47 113.78 3.4 -7.94 -0.3 0
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427520 135159527 1 N2O2H32C47 A2B2C32D47 130.05 2.65 -8.16 -0.42 0
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427521 135159528 2 NOH18C24 ABC18D24 122.89 3.21 -7.84 -0.32 0
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427522 135159529 1 FSO3N4H19C20 ABC3D4E19F20 -91.61 3.36 -9.28 -1.43 0
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427523 135159571 1 PN3O3C13H24 AB3C3D13E24 -191.22 4.96 -8.3 0.79 0
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427524 135159585 1 O2N4C15H26 A2B4C15D26 -105.16 4.55 -8.3 0.58 0
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427525 135159593 1 O2N3C17H23 A2B3C17D23 -53.42 3.78 -8.63 -0.5 0
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427526 135159600 1 BrSN2C25H33 ABC2D25E33 54.73 1.52 -9.12 -0.79 0
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427527 135159621 1 SN4O4C16H18 AB4C4D16E18 -106.47 5.07 -9.08 -1.35 0
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427528 135159622 1 SO3N4C18H22 AB3C4D18E22 -54.22 3.09 -8.92 -1.24 0
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427529 135159623 1 FS2N4O4C21H23 AB2C4D4E21F23 -134.25 4.2 -9.06 -1.33 0
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427530 135159624 1 ClFSO2N4C20H20 ABCD2E4F20G20 -54.41 2.57 -9.01 -1.31 0
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427531 135159625 1 S2O3N4C15H18 A2B3C4D15E18 -48.79 3.53 -8.74 -1.12 0
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427532 135159626 1 FS2N4O4C26H29 AB2C4D4E26F29 -79.7 7.8 -8.91 -0.83 0
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427533 135159627 1 BrFO2S2N4C20H20 ABC2D2E4F20G20 -44.14 1.12 -8.55 -1.25 0
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427534 135159628 1 ClFPSN4O5C21H25 ABCDE4F5G21H25 -232.43 3.32 -8.82 -1.18 0
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427535 135159658 1 SN4C13H16 AB4C13D16 83.7 2.2 -8.24 -0.95 0
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427536 135159659 1 BrFO2N4C21H22 ABC2D4E21F22 -42.95 4.03 -8.72 -0.61 0
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427537 135159672 1 ClFS2O3N4H18C19 ABC2D3E4F18G19 -57.36 5.46 -8.99 -1.26 0
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427538 135159692 1 SO3N4C20H24 AB3C4D20E24 -50.05 2.93 -8.85 -1.12 0
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427539 135159701 1 BrFSN3C16H19 ABCD3E16F19 22.32 1.92 -9.1 -0.97 0
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427540 135159705 1 BrFOSN3C20H21 ABCDE3F20G21 3.22 5.06 -8.79 -1.12 0
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427541 135159711 1 O2S2F3N5H18C19 A2B2C3D5E18F19 -113.37 5.99 -8.6 -1.46 0
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427542 135159715 1 O3N6C18H22 A3B6C18D22 -24.08 4.85 -8.66 -0.37 0
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427543 135159716 1 FS2N4O6C22H23 AB2C4D6E22F23 -212.77 7.41 -9.1 -1.38 0
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427544 135159754 1 FSN3O4C20H22 ABC3D4E20F22 -143.93 5.76 -9.25 -1.38 0
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427545 135159759 1 ClF2S2O4N5C20H22 AB2C2D4E5F20G22 -175.94 6.96 -9.29 -0.79 0
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427546 135159760 1 ClF2S2O4N5H16C18 AB2C2D4E5F16G18 -160.9 6.43 -9.3 -1.39 0
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427547 135159761 1 SN3O3C20H29 AB3C3D20E29 -63.87 5.23 -8.68 -0.79 0
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427548 135159762 1 SO2N4C18H28 AB2C4D18E28 -44.74 6.82 -8.74 -0.29 0
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427549 135159763 1 SO3N4C17H20 AB3C4D17E20 -47.34 5.47 -8.7 -1.16 0
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427550 135159764 1 BrFS2N3O4C25H29 ABC2D3E4F25G29 -161.75 7.92 -8.44 -1.06 0
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427551 135159765 1 S2F3N4O4H17C19 A2B3C4D4E17F19 -209.74 9.58 -9.29 -1.41 0
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427552 135159766 1 SO2N4C10H18 AB2C4D10E18 -53.52 2.62 -8.56 0.06 0
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427553 135159798 1 SO2N4C8H14 AB2C4D8E14 -49.76 3.39 -8.35 -0.26 0
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427554 135159826 1 SF2O4N5C21H23 AB2C4D5E21F23 -172.89 7.11 -9.04 -0.56 0
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427555 135159856 1 BrFSN4O4C23H26 ABCD4E4F23G26 -130.68 0.44 -9.12 -0.64 0
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427556 135159858 1 ClIS3N4O4C22H22 ABC3D4E4F22G22 -47.7 4.52 -9.2 -1.13 0
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427557 135159859 1 ClIS3O4N5C22H23 ABC3D4E5F22G23 -25.32 4.69 -8.87 -1.17 0
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427558 135159861 1 S2F3O4N5C22H24 A2B3C4D5E22F24 -216.25 5.21 -9.17 -1.14 0
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427559 135159864 1 NC9H17 AB9C17 0.79 1.82 -8.05 1.28 0
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427560 135159875 1 FOS2N7H24C25 ABC2D7E24F25 100.8 4.33 -8.85 -1.2 0
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427561 135159887 1 SO2F4N4H20C27 AB2C4D4E20F27 -120.49 3.62 -8.98 -1.0 0
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427562 135159888 1 FOSN5C22H22 ABCD5E22F22 46.5 3.32 -8.42 -0.93 0
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427563 135159956 1 FSO2N3C22H26 ABC2D3E22F26 -59.36 4.61 -8.47 -0.4 0
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427564 135159975 1 FS2O3N7C26H28 AB2C3D7E26F28 7.29 10.01 -8.71 -0.9 0
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427565 135159999 1 OSF4N5H25C29 ABC4D5E25F29 -108.54 5.63 -8.88 -1.03 0
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427566 135160022 1 FS2O3N4H25C27 AB2C3D4E25F27 -31.36 5.38 -8.77 -0.95 0
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427567 135160050 1 O3N4C27H30 A3B4C27D30 42.62 1.7 -8.48 -0.53 0
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427568 135160066 1 Cl2N2O3C23H24 A2B2C3D23E24 -60.62 4.8 -8.94 -0.75 0
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427569 135160070 1 FSO3N4H23C29 ABC3D4E23F29 -11.63 5.27 -8.82 -0.85 0
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427570 135160076 1 O2N3H11C12 A2B3C11D12 -17.48 7.1 -8.57 -1.13 0
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427571 135160080 1 FOSN7C26H28 ABCD7E26F28 71.85 5.64 -8.07 -0.51 1
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427572 135160111 1 N3O9C22H38 A3B9C22D38 -351.65 1.4 0.0 0.0 0
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427573 135160125 2 O2C24H25 A2B24C25 -92.37 4.39 -8.62 -0.12 0
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427574 135160137 2 OF2N2C12H12 AB2C2D12E12 -203.74 7.42 -8.55 -1.34 0
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427575 135160145 1 O4C33H36 A4B33C36 -129.25 4.67 -8.67 -0.02 0
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427576 135160156 1 NC28H29 AB28C29 50.71 1.84 -8.01 -0.22 0
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427577 135160158 1 SO3C12H24 AB3C12D24 -178.12 4.25 -10.71 0.21 0
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427578 135160186 1 ClIOF3H5C8 ABCD3E5F8 -174.36 2.92 -9.95 -1.47 0
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427579 135160200 1 SF3N3O4H20C22 AB3C3D4E20F22 -103.45 5.94 -8.86 -2.16 0
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427580 135160211 1 SN2O2F4H20C21 AB2C2D4E20F21 -244.86 7.79 -8.98 -0.96 0
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427581 135160214 1 SN2O3F4C23H24 AB2C3D4E23F24 -283.49 11.23 -8.4 -0.61 0
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427582 135160217 1 SF3N3O3C22H22 AB3C3D3E22F22 -201.02 7.15 -8.35 -0.66 0
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427583 135160218 1 SCl2N2O3C20H20 AB2C2D3E20F20 -74.48 5.33 -8.25 -0.8 0
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427584 135160238 1 SN2F3O3C21H23 AB2C3D3E21F23 -245.93 9.31 -8.42 -0.63 0
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427585 135160239 1 NOCl2C7H7 ABC2D7E7 -15.75 3.6 -9.66 -1.31 0