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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140513 52712677 1 BrSN3O6H12C14 ABC3D6E12F14 -111.37 6.61 -9.23 -1.54 0
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140514 52713356 1 NO4C25H25 AB4C25D25 -90.16 2.85 -8.62 -0.21 0
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140515 52713528 1 NSO2C17H21 ABC2D17E21 -41.34 4.45 -8.98 -0.65 0
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140516 52713542 1 OSN5C12H17 ABC5D12E17 44.37 3.33 -9.33 -0.76 0
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140517 52714451 1 SN2O2C19H24 AB2C2D19E24 -32.54 4.83 -8.92 -0.15 0
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140518 52714540 2 N2O2C8H11 A2B2C8D11 -96.61 7.59 -8.76 -0.19 0
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140519 52714640 1 O2N3C19H19 A2B3C19D19 14.18 5.96 -8.77 -0.24 1
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140520 52714698 1 ClOF3N3C20H22 ABC3D3E20F22 -150.29 4.63 0.0 0.0 0
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140521 52714701 1 ClON3C22H28 ABC3D22E28 -15.92 4.36 -8.25 -0.12 0
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140522 52714925 1 ClN3O4C22H26 AB3C4D22E26 -134.5 3.15 -9.02 -0.78 0
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140523 52714998 1 FO2N3C19H20 AB2C3D19E20 -79.32 3.11 -8.94 -0.27 1
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140524 52715007 1 O2N4C20H25 A2B4C20D25 -9.7 5.0 0.0 0.0 0
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140525 52715008 2 ON2C10H12 AB2C10D12 -18.94 5.05 -8.88 -0.35 0
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140526 52715102 1 O3N6C26H26 A3B6C26D26 36.63 12.44 -8.91 -1.14 1
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140527 52715114 1 O2N4C21H27 A2B4C21D27 2.84 5.4 0.0 0.0 0
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140528 52715484 1 NO5C28H35 AB5C28D35 -231.3 5.84 -9.37 -0.41 0
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140529 52715485 1 NO5C28H35 AB5C28D35 -228.88 4.96 -9.48 -0.78 0
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140530 52715577 1 S2O3N4H14C15 A2B3C4D14E15 -19.65 8.29 -8.98 -1.46 0
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140531 52716003 1 N2O5C19H30 A2B5C19D30 -212.32 4.7 -9.44 -0.55 0
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140532 52716145 1 SCl2N2O3H14C16 AB2C2D3E14F16 -81.01 6.54 -9.22 -1.39 0
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140533 52716190 1 SO3N4C25H30 AB3C4D25E30 -100.86 1.09 -9.17 -0.37 0
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140534 52716384 1 S2O3N4C18H20 A2B3C4D18E20 -43.71 5.49 -8.9 -1.08 0
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140535 52716906 1 N2O3C25H28 A2B3C25D28 -71.41 5.38 -8.41 -0.46 0
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140536 52716907 1 N2O3C25H28 A2B3C25D28 -69.37 1.27 -8.57 -0.66 0
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140537 52717058 1 SF3O3N4C16H17 AB3C3D4E16F17 -219.31 8.35 -9.86 -1.51 0
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140538 52717059 1 N2O3C23H24 A2B3C23D24 -72.58 4.47 -8.31 -0.42 0
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140539 52717060 1 NO3C24H27 AB3C24D27 -82.59 5.62 -8.62 -0.6 0
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140540 52717064 1 N3O4C23H35 A3B4C23D35 -191.34 2.09 -9.34 -0.09 0
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140541 52717151 1 FN2O2C20H23 AB2C2D20E23 -95.4 4.86 -7.82 0.0 0
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140542 52717263 1 FN2O4C19H21 AB2C4D19E21 -177.07 3.79 -8.3 -0.03 1
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140543 52717569 1 FSN3O3C25H29 ABC3D3E25F29 -76.02 16.03 0.0 0.0 0
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140544 52717656 1 ClSN2O4C19H23 ABC2D4E19F23 -152.23 5.58 -8.34 -0.29 -1
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140545 52717657 1 ClSN2O4C18H20 ABC2D4E18F20 -105.69 9.89 0.0 0.0 0
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140546 52717658 1 ClSN2O4C18H21 ABC2D4E18F21 -142.77 6.78 -8.46 -0.32 -1
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140547 52717659 1 ClSN2O4H20C22 ABC2D4E20F22 -68.7 1.83 0.0 0.0 0
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140548 52717660 1 ClSN2O4H21C22 ABC2D4E21F22 -104.87 6.94 -8.26 -0.64 -1
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140549 52717661 1 ClSN2O4H20C22 ABC2D4E20F22 -65.19 5.92 0.0 0.0 0
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140550 52717662 1 ClSN2O4H21C22 ABC2D4E21F22 -105.07 7.62 -8.27 -0.67 -1
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140551 52717663 1 SN3O5C16H16 AB3C5D16E16 -51.99 6.64 0.0 0.0 0
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140552 52717664 1 SN3O5C16H17 AB3C5D16E17 -92.87 2.52 -8.62 -1.59 0
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140553 52717940 1 N2O2F3C19H25 A2B2C3D19E25 -257.37 3.04 -9.57 -1.16 1
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140554 52718004 1 F2N3O3C22H24 A2B3C3D22E24 -149.57 10.38 0.0 0.0 0
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140555 52718005 1 F2N3O3C22H23 A2B3C3D22E23 -170.55 3.92 -9.27 -0.56 1
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140556 52718006 1 F2N3O3C22H24 A2B3C3D22E24 -151.66 6.23 0.0 0.0 0
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140557 52718007 1 F2N3O3C22H23 A2B3C3D22E23 -170.49 4.63 -9.27 -0.42 0
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140558 52718008 1 SN3O4C25H39 AB3C4D25E39 -195.29 6.49 -9.02 -0.3 0
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140559 52718242 1 O4N5C16H17 A4B5C16D17 -4.27 6.42 -8.95 -1.43 0
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140560 52718996 1 BrN2O2C19H21 AB2C2D19E21 -56.88 3.13 -9.1 -0.44 0
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140561 52719107 1 ClF2O2N4H21C24 AB2C2D4E21F24 -52.06 7.5 -9.15 -0.69 0
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140562 52719583 1 SN2O4C23H36 AB2C4D23E36 -193.73 9.04 -8.84 -0.12 0
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140563 52719584 1 NSO5C22H27 ABC5D22E27 -185.81 9.52 -9.11 -0.83 0
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140564 52719955 1 FSN2O4C20H25 ABC2D4E20F25 -179.85 4.12 -9.38 -0.9 0
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140565 52720603 1 SN3O3C23H31 AB3C3D23E31 -89.71 3.36 -8.53 -0.88 1
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140566 52720604 1 SN3O3C23H32 AB3C3D23E32 -83.98 10.76 0.0 0.0 0
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140567 52720605 1 SN3O3C23H31 AB3C3D23E31 -96.16 6.57 -8.92 -0.8 1
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140568 52720606 1 SN3O3C23H32 AB3C3D23E32 -81.84 3.61 0.0 0.0 0
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140569 52720607 1 SN3O3C23H31 AB3C3D23E31 -90.12 8.42 -8.94 -0.8 1
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140570 52720608 1 SO3N5C23H38 AB3C5D23E38 -84.24 3.93 0.0 0.0 1
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140571 52720794 1 ClO2N3C22H31 AB2C3D22E31 -42.19 3.38 0.0 0.0 1
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140572 52720916 1 O3N5C20H30 A3B5C20D30 -103.31 22.74 0.0 0.0 1
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140573 52720936 1 SN3O3C22H36 AB3C3D22E36 -107.3 6.54 0.0 0.0 0
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140574 52721267 1 BrSO2N3C19H28 ABC2D3E19F28 -87.27 4.07 -8.61 -0.96 0
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140575 52721995 1 SF2O3H12C15 AB2C3D12E15 -163.98 4.57 -9.29 -1.06 0
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140576 52722210 1 ClSN3O4C18H22 ABC3D4E18F22 -110.37 3.24 -9.6 -1.48 0
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140577 52722298 1 O2N3C19H29 A2B3C19D29 -95.25 4.16 -7.66 0.38 0
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140578 52722299 1 SN3O3C14H15 AB3C3D14E15 -52.46 4.84 -9.01 -0.68 0
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140579 52722443 1 N3O3C25H33 A3B3C25D33 -105.51 3.06 -7.72 0.26 0
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140580 52722682 1 N2O5C26H30 A2B5C26D30 -173.05 5.57 -8.94 -0.76 0
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140581 52722906 2 NO2C13H16 AB2C13D16 -122.38 2.13 -8.78 0.24 0
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140582 52723168 1 ClO3N6H9C14 AB3C6D9E14 71.3 5.77 -9.44 -1.92 0
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140583 52723268 1 NSO4C27H29 ABC4D27E29 -113.69 4.02 -8.72 -0.39 1
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140584 52723404 1 BrON3C22H25 ABC3D22E25 9.9 4.47 0.0 0.0 0
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140585 52723602 1 N3O3H19C21 A3B3C19D21 -45.2 4.15 -9.33 -0.92 0
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140586 52724130 2 NO2C11H13 AB2C11D13 -132.42 4.23 -8.52 -0.5 0
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140587 52724446 1 ClO2N5C24H24 AB2C5D24E24 32.57 4.23 -8.46 -1.23 0
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140588 52724763 1 ON2C20H20 AB2C20D20 19.24 4.03 -9.21 -0.77 1
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140589 52726271 1 ON2C19H27 AB2C19D27 -15.15 6.94 0.0 0.0 0
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140590 52726657 1 ClN2O4C21H29 AB2C4D21E29 -129.83 5.96 -8.93 -0.57 1
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140591 52726682 1 Cl2N2O2C18H23 A2B2C2D18E23 -37.58 3.43 0.0 0.0 0
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140592 52726716 2 NOC11H14 ABC11D14 -37.44 5.37 -8.59 0.21 0
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140593 52726959 1 OSF2N4H16C17 ABC2D4E16F17 -18.49 5.76 -8.64 -0.71 0
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140594 52726960 1 OSF2N4H16C17 ABC2D4E16F17 -18.23 6.59 -8.64 -0.66 0
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140595 52727531 1 SCl2O3N4H12C15 AB2C3D4E12F15 0.43 1.88 -9.71 -1.68 0
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140596 52728190 1 NSO2C19H25 ABC2D19E25 -64.28 8.39 -8.26 0.14 0
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140597 52728670 1 SN2O4C18H22 AB2C4D18E22 -119.75 6.85 -8.85 -0.41 1
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140598 52728856 1 N2O3C22H31 A2B3C22D31 -81.57 4.9 0.0 0.0 0
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140599 52728857 1 N2O3C22H30 A2B3C22D30 -95.88 6.54 -8.63 -0.69 1
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140600 52728858 1 O2N3C21H34 A2B3C21D34 -57.85 7.17 0.0 0.0 0
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140601 52728859 1 O2N3C21H33 A2B3C21D33 -83.61 3.36 -8.53 0.4 1
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140602 52728860 1 FN2O2C18H28 AB2C2D18E28 -110.42 3.69 0.0 0.0 0
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140603 52728861 1 FN2O2C18H27 AB2C2D18E27 -130.09 4.77 -8.98 -0.02 0
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140604 52728911 1 BrN3O3C18H26 AB3C3D18E26 -119.11 7.77 -8.81 -0.19 0
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140605 52729389 1 ClNSO3C20H24 ABCD3E20F24 -100.72 1.86 -8.29 -0.45 0
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140606 52729430 1 BrN2O3C17H17 AB2C3D17E17 -85.64 4.14 -9.07 -0.68 0
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140607 52729436 1 NO3H19C21 AB3C19D21 -55.45 4.75 -8.77 -0.63 0
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140608 52729437 1 ClNSO2C17H18 ABCD2E17F18 -59.81 4.48 -8.86 -0.74 0
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140609 52729671 1 N2S2O3H16C17 A2B2C3D16E17 -48.8 2.98 -8.72 -1.26 0
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140610 52729672 1 OSN2C20H28 ABC2D20E28 -33.73 2.99 -9.09 -0.29 0
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140611 52729950 1 ON2C20H26 AB2C20D26 -28.44 4.31 -8.34 -0.26 0
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140612 52729951 1 ON4C20H20 AB4C20D20 49.39 4.76 -8.4 -0.84 0