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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312410 126604727 1 O2S2N4C25H28 A2B2C4D25E28 11.59 10.51 -8.68 -1.4 0
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312411 126604730 1 O2S2N3C23H25 A2B2C3D23E25 -3.14 9.25 -8.61 -1.06 0
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312412 126604732 1 O2S2N3H15C16 A2B2C3D15E16 -2.48 2.32 -8.51 -1.12 0
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312413 126604733 1 F3O5N8H19C20 A3B5C8D19E20 -222.14 9.65 -9.88 -1.53 0
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312414 126604739 1 O2S2N4H16C17 A2B2C4D16E17 18.49 4.38 -8.95 -1.07 0
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312415 126604740 1 OS2N3C11H17 AB2C3D11E17 28.85 6.04 -8.28 -0.91 0
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312416 126604743 1 S2O3N6H14C17 A2B3C6D14E17 30.56 8.02 -8.83 -1.07 0
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312417 126604745 1 ON2C13H20 AB2C13D20 -44.6 4.85 -9.55 0.06 0
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312418 126604746 1 O3S3N5C13H17 A3B3C5D13E17 -21.91 2.69 -8.66 -1.18 0
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312419 126604755 1 O2S2N3H13C15 A2B2C3D13E15 9.19 3.13 -8.42 -1.4 0
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312420 126604764 1 NOS3C17H17 ABC3D17E17 31.61 5.42 -8.28 -1.06 0
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312421 126604767 1 SO2N3C17H19 AB2C3D17E19 9.53 5.14 -9.17 -1.01 0
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312422 126604769 1 ON2S3H16C17 AB2C3D16E17 34.37 1.68 -8.32 -1.33 0
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312423 126604771 2 OSN3H6C8 ABC3D6E8 95.02 4.03 -9.14 -1.47 0
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312424 126604772 1 ON2S3C11H14 AB2C3D11E14 13.27 3.11 -8.11 -1.01 0
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312425 126604773 1 S2O3N5H15C16 A2B3C5D15E16 -9.54 5.69 -8.61 -1.44 0
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312426 126604775 1 N3C12H19 A3B12C19 37.95 0.51 -8.14 0.3 0
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312427 126604776 1 S2N3O3C19H19 A2B3C3D19E19 -36.0 4.26 -8.97 -0.89 -1
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312428 126604800 1 N3O3C15H22 A3B3C15D22 -23.53 7.58 0.0 0.0 0
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312429 126604811 1 BrO6C16H25 AB6C16D25 -279.51 5.47 -10.68 -0.55 0
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312430 126604823 1 NS2C13H17 AB2C13D17 57.16 3.31 -8.14 0.03 0
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312431 126604824 1 NC11H21 AB11C21 -14.52 2.11 -8.05 1.32 0
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312432 126604835 1 ON2S3C16H18 AB2C3D16E18 36.45 5.08 -8.24 -0.74 0
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312433 126604839 1 NOS2C17H17 ABC2D17E17 51.83 2.41 -8.58 -0.68 0
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312434 126604862 1 NOS3C11H11 ABC3D11E11 17.97 2.8 -8.41 -1.24 0
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312435 126604897 1 PO2C20H41 AB2C20D41 -186.1 2.84 -8.98 0.93 0
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312436 126604924 1 N3C11H15 A3B11C15 42.87 2.2 -8.27 -0.41 0
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312437 126604941 1 O8C27H34 A8B27C34 -280.92 5.78 -8.83 -0.64 0
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312438 126604971 1 N2O2C3H10 A2B2C3D10 -81.55 2.34 -9.48 1.54 0
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312439 126604982 1 ON4C14H14 AB4C14D14 68.15 5.22 -8.2 -0.8 0
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312441 126605067 1 N3H41C52 A3B41C52 291.96 2.7 -8.22 -1.03 0
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312442 126605079 1 O3C24H32 A3B24C32 -41.14 6.77 -9.63 0.06 0
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312443 126605103 1 N2H38C57 A2B38C57 247.03 2.8 -7.77 -0.96 0
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312444 126605128 1 N2H36C43 A2B36C43 180.18 3.33 -7.89 -0.83 0
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312445 126605135 1 N3H37C54 A3B37C54 252.94 3.69 -7.82 -1.02 0
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312446 126605158 1 N2H30C43 A2B30C43 192.49 2.7 -7.76 -0.91 0
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312447 126605171 1 SO2N4C28H36 AB2C4D28E36 -10.74 5.6 -8.4 0.22 0
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312448 126605235 1 N5H29C43 A5B29C43 254.09 1.67 -7.97 -1.1 0
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312449 126605338 1 NPSO7C17H28 ABCD7E17F28 -376.06 2.4 -9.42 -0.52 0
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312450 126605349 4 NH9C12 AB9C12 215.45 0.22 -7.57 -1.02 0
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312451 126605354 1 BrN2H15C24 AB2C15D24 122.81 3.42 -7.61 -0.71 0
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312452 126605355 1 BrNSO2C7H8 ABCD2E7F8 -52.14 0.52 -9.76 -0.92 0
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312453 126605356 1 PN2O4C10H17 AB2C4D10E17 -176.14 3.17 -9.13 0.18 0
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312454 126605365 1 NS2O4C8H15 AB2C4D8E15 -188.24 1.12 -9.04 0.01 0
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312455 126605402 1 NO3C6H11 AB3C6D11 -127.65 3.65 -10.51 0.17 -1
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312456 126605407 1 S2O3F4H5C6 A2B3C4D5E6 -270.21 3.03 0.0 0.0 0
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312457 126605410 1 NSO5H7C10 ABC5D7E10 -140.54 2.46 -8.82 -1.72 0
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312458 126605413 1 FPC8H12 ABC8D12 -29.67 2.37 -8.88 0.54 0
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312459 126605416 1 N2O2C9H20 A2B2C9D20 -90.01 2.68 -8.46 0.96 0
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312460 126605420 1 SN2C7H14 AB2C7D14 16.57 1.42 -8.35 0.44 0
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312461 126605430 1 N2C27H38 A2B27C38 25.62 0.59 -7.73 0.38 0
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312462 126605453 1 SO2N6C22H28 AB2C6D22E28 11.32 5.05 -8.46 -0.56 0
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312463 126605458 2 O3C8H14 A3B8C14 -318.31 6.57 -10.65 0.0 0
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312464 126605474 1 IN2O2C12H15 AB2C2D12E15 -39.13 3.05 -8.72 -0.99 0
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312465 126605484 1 SO2N6C22H28 AB2C6D22E28 15.1 2.79 -8.31 -0.44 0
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312466 126605494 1 ClF3O6N8C40H50 AB3C6D8E40F50 -384.3 9.1 -8.49 -0.47 0
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312467 126605495 1 ION2C3H3 ABC2D3E3 0.47 0.38 -9.73 -2.65 0
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312468 126605499 1 FO2N6C22H29 AB2C6D22E29 -68.11 5.25 -8.64 -0.36 0
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312469 126605502 1 FO3N6C25H31 AB3C6D25E31 -119.69 7.0 -8.81 -0.51 0
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312470 126605527 1 F3O6N8C36H43 A3B6C8D36E43 -354.38 7.26 -8.48 -0.66 0
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312471 126605528 1 ClFOSN7C21H23 ABCDE7F21G23 20.62 4.9 -8.58 -1.72 0
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312472 126605544 1 FO2N6H17C18 AB2C6D17E18 -29.87 2.54 -8.85 -1.45 0
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312473 126605574 1 ClFSO3N7C25H29 ABCD3E7F25G29 -98.52 2.32 -8.58 -1.75 0
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312474 126605582 1 N3O4C13H13 A3B4C13D13 -74.06 4.88 -10.34 -0.96 0
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312475 126605591 1 SN3H15C18 AB3C15D18 129.56 2.89 -7.92 -0.81 0
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312476 126605594 1 F3O3N7C38H44 A3B3C7D38E44 -201.67 5.87 -8.36 -0.56 0
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312477 126605620 1 ClO2N8C23H23 AB2C8D23E23 54.0 5.26 -8.77 -1.4 0
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312478 126605627 1 N2C11H20 A2B11C20 -12.1 3.22 -8.41 0.98 0
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312479 126605660 1 IF2N2H5C7 AB2C2D5E7 -36.88 3.53 -9.44 -1.46 0
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312480 126605663 1 OSF3N6H17C18 ABC3D6E17F18 -67.4 2.29 -8.94 -1.72 0
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312481 126605674 1 ClO2N8C26H29 AB2C8D26E29 33.24 8.24 -8.8 -1.38 0
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312482 126605675 1 ClFOSN8C22H22 ABCDE8F22G22 68.53 4.68 -8.95 -1.82 0
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312483 126605687 1 N3O3C16H27 A3B3C16D27 -132.48 5.79 -9.67 0.29 0
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312484 126605695 1 FON6C20H23 ABC6D20E23 -7.34 3.67 -8.76 -1.24 0
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312485 126605734 1 FOSN4C10H11 ABCD4E10F11 -22.25 4.42 -9.59 -1.49 0