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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336511 127255518 1 NI2C5H11 AB2C5D11 -2.32 8.03 -8.53 -1.37 0
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336512 127255519 1 ClNOF3C9H9 ABCD3E9F9 -209.97 5.71 -8.91 -0.71 0
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336513 127255520 1 ClN2F3H4C9 AB2C3D4E9 -101.8 3.57 -10.25 -1.76 0
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336514 127255521 1 BrN2O2H5C9 AB2C2D5E9 50.67 3.58 -10.06 -2.06 0
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336515 127255522 1 O2F3H7C12 A2B3C7D12 -190.24 3.47 -9.51 -1.65 0
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336516 127255523 1 NO2C22H29 AB2C22D29 -73.4 2.75 -8.68 0.25 0
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336517 127255524 2 O2C7H13 A2B7C13 -217.46 2.45 -10.64 -0.07 0
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336518 127255525 1 ClNOC13H20 ABCD13E20 -60.41 1.69 -8.56 0.38 0
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336519 127255526 2 OC8H8 AB8C8 -58.07 1.52 -9.24 0.02 0
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336520 127255527 1 N2S3H26C32 A2B3C26D32 225.79 2.93 -7.93 -1.21 0
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336521 127255528 1 BrClNSO2C8H9 ABCDE2F8G9 -75.17 2.68 -9.01 -0.8 0
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336522 127255529 1 BrClON2H8C11 ABCD2E8F11 24.57 3.1 -9.64 -1.03 0
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336523 127255530 1 NO3H13C15 AB3C13D15 -59.17 2.74 -8.04 -0.24 0
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336524 127255531 1 ClON2C11H17 ABC2D11E17 -70.39 3.26 -9.77 -0.21 0
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336525 127255532 1 SN2O5C22H42 AB2C5D22E42 -297.98 4.12 -8.68 0.03 0
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336526 127255533 1 NSO5C10H19 ABC5D10E19 -253.3 4.13 -9.0 0.1 0
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336527 127255534 1 ClN2O2C12H25 AB2C2D12E25 -170.64 2.26 -9.55 0.92 0
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336528 127255535 1 HCl2N5C6 AB2C5D6 119.87 3.11 -10.31 -2.21 0
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336529 127255536 1 ClN2F3H4C9 AB2C3D4E9 -104.93 5.12 -10.31 -1.85 0
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336530 127255537 1 OCl2N2C8H18 AB2C2D8E18 -116.01 6.09 -9.3 1.21 0
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336531 127255538 1 N2O5C22H24 A2B5C22D24 -181.57 3.08 -9.03 -0.57 0
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336532 127255539 1 N2O4H36C39 A2B4C36D39 -46.67 7.1 -9.08 -0.63 0
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336533 127255540 1 ClO2N4C11H25 AB2C4D11E25 -134.15 4.43 -9.64 0.76 0
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336534 127255541 1 O2N4C11H24 A2B4C11D24 -92.86 3.32 -8.74 0.74 0
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336535 127255542 1 ClO2N4C11H25 AB2C4D11E25 -123.73 4.72 -9.12 0.27 0
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336536 127255543 1 O2N4C11H24 A2B4C11D24 -93.14 6.24 -9.26 0.46 0
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336537 127255544 1 ClNO2C10H14 ABC2D10E14 -114.44 6.5 -9.64 -0.15 0
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336538 127255545 1 N3O3C14H27 A3B3C14D27 -176.77 5.9 -9.48 0.95 0
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336539 127255546 1 O2N3C17H23 A2B3C17D23 -61.86 7.63 -8.21 0.33 0
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336540 127255547 1 N2O3C10H12 A2B3C10D12 -74.22 2.38 -10.59 -1.89 0
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336541 127255548 2 ClON2H8C9 ABC2D8E9 -11.85 7.23 -8.72 -1.29 0
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336542 127255549 2 FON2H8C9 ABC2D8E9 -87.4 7.31 -8.76 -1.28 0
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336543 127255550 1 ClFO2N4H16C18 ABC2D4E16F18 -52.49 7.42 -8.73 -1.32 0
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336544 127255551 1 ClFN3H5C8 ABC3D5E8 8.52 3.93 -9.07 -1.45 0
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336545 127255552 1 Cl2F2O2N5H11C20 A2B2C2D5E11F20 1.33 2.04 -9.34 -1.88 -1
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336546 127255553 1 FN3O3C22H23 AB3C3D22E23 -102.64 5.47 0.0 0.0 0
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336547 127255554 1 FN3O3C22H24 AB3C3D22E24 -131.89 4.05 -9.54 -1.19 -1
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336548 127255555 1 BFNO4C20H22 ABCD4E20F22 -228.18 3.86 0.0 0.0 0
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336549 127255556 1 BFNO4C20H23 ABCD4E20F23 -261.36 6.62 -9.37 -0.56 0
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336550 127255557 1 BO2N5C12H16 AB2C5D12E16 -59.27 4.67 -9.7 -0.88 0
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336551 127255558 1 BrFNO5C13H15 ABCD5E13F15 -234.74 3.94 -9.37 -0.75 0
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336552 127255559 1 BrFNO3H9C10 ABCD3E9F10 -147.53 4.24 -9.64 -0.79 0
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336553 127255560 1 FO2N6C16H17 AB2C6D16E17 -4.43 5.34 -8.72 -0.55 0
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336554 127255561 1 O2N6C25H26 A2B6C25D26 48.9 5.86 -7.98 -0.31 0
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336555 127255562 1 ClON6C22H25 ABC6D22E25 34.88 4.82 -7.74 -0.57 0
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336556 127255563 1 ON6C22H24 AB6C22D24 69.41 4.54 -7.89 -0.46 0
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336557 127255564 1 O3N7C31H35 A3B7C31D35 38.95 7.59 -8.4 -0.7 0
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336558 127255565 1 O3N11C33H37 A3B11C33D37 122.77 5.83 -8.18 -1.44 0
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336559 127255566 1 O2N7C28H33 A2B7C28D33 59.21 5.6 -8.14 -0.64 0
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336560 127255567 1 ClF3N4H8C11 AB3C4D8E11 -104.18 6.1 -8.83 -1.34 0
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336561 127255568 1 O2F3N7C24H26 A2B3C7D24E26 -163.27 7.24 -8.47 -0.69 0
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336562 127255569 1 O3F6N7H25C26 A3B6C7D25E26 -351.28 7.14 -8.41 -0.88 0
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336563 127255570 1 Cl2F3O3N7C28H30 A2B3C3D7E28F30 -226.88 7.4 -8.28 -0.65 0
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336564 127255571 1 NOC21H27 ABC21D27 -19.77 1.56 -8.23 0.27 0
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336565 127255572 1 N2O3H6C8 A2B3C6D8 -40.68 4.81 -10.12 -2.09 0
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336566 127255573 2 ClN2O2C5H5 AB2C2D5E5 -105.25 8.17 -9.79 -1.33 0
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336567 127255574 1 NBr2O2H5C9 AB2C2D5E9 -44.27 5.15 -9.41 -1.49 0
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336568 127255575 1 ClON2H7C9 ABC2D7E9 11.0 2.96 -9.31 -1.2 0
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336569 127255576 1 NO4H7C10 AB4C7D10 -131.97 2.36 -9.45 -1.48 0
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336570 127255577 2 BrNH9C15 ABC9D15 146.02 0.21 -8.01 -0.93 0
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336571 127255578 1 BrO3H7C9 AB3C7D9 -82.1 4.4 -9.33 -0.88 0
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336572 127255579 1 FN2H5C9 AB2C5D9 24.94 5.34 -9.18 -0.95 0
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336573 127255580 1 ON2C9H10 AB2C9D10 -2.24 1.55 -8.5 -0.05 0
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336574 127255581 1 N3O4C33H41 A3B4C33D41 -140.87 3.93 -9.35 -0.14 0
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336575 127255582 1 NOC17H19 ABC17D19 -14.23 3.67 -8.23 -0.17 0
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336576 127255583 1 ClN2O2C13H15 AB2C2D13E15 -72.88 5.03 -9.84 -0.92 0
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336577 127255584 1 SiN2O7C24H32 AB2C7D24E32 -209.99 8.89 -9.7 -1.78 0
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336578 127255585 2 NO3C10H18 AB3C10D18 -337.86 6.86 -9.52 0.16 0
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336579 127255586 1 F2N2O6H44C45 A2B2C6D44E45 -247.3 3.31 -8.49 -0.17 0
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336580 127255587 1 NO18H47C49 AB18C47D49 -616.78 11.42 -8.94 -1.24 0
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336581 127255588 1 FO6C20H21 AB6C20D21 -270.74 5.86 -10.23 -0.9 0
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336582 127255589 1 NOCl3C11H14 ABC3D11E14 -65.8 2.06 -8.7 -0.77 0
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336583 127255590 2 N2O4C13H23 A2B4C13D23 -424.48 5.9 -9.47 -0.34 0
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336584 127255591 1 BrNO5H6C8 ABC5D6E8 -109.61 4.23 -10.19 -1.71 0
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336585 127255592 1 ClNC8H20 ABC8D20 -78.08 3.5 -9.46 2.08 0
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336586 127255593 1 NaS3N8O8C18H19 AB3C8D8E18F19 -250.38 11.32 -9.0 -1.16 0
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336587 127255594 1 N3O4C20H37 A3B4C20D37 -227.86 6.73 -9.83 -0.27 0
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336588 127255595 1 O20C39H50 A20B39C50 -811.26 8.01 -8.93 -1.16 0
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336589 127255596 1 S2O5N9C19H19 A2B5C9D19E19 19.39 4.06 -7.52 -0.94 0
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336590 127255597 1 SO13N19C59H89 AB13C19D59E89 -517.93 7.51 -9.25 -0.55 0
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336592 127255599 1 NaSF2N3O5C16H16 ABC2D3E5F16G16 -287.56 9.66 -7.84 -0.79 0
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336593 127255600 1 N3O15C17H25 A3B15C17D25 -665.01 8.38 -10.09 -0.31 0
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336596 127255603 2 O4N5C35H48 A4B5C35D48 -236.28 5.7 -8.26 -0.17 0
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336597 127255604 1 SN12O12C40H78 AB12C12D40E78 -586.51 4.31 -9.07 -0.93 0
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336600 127255607 1 ClF2S2O3N5H28C31 AB2C2D3E5F28G31 -108.52 3.28 -8.73 -1.22 0
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336606 127255613 1 NSO22C25H45 ABC22D25E45 -965.25 5.65 -9.3 -1.0 1
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336607 127255614 1 CaF3O4H22C26 AB3C4D22E26 -286.56 5.6 0.0 0.0 0
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336608 127255615 1 O7N8C23H32 A7B8C23D32 -173.4 9.83 -9.23 -1.2 0
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336609 127255616 1 N10O14C73H104 A10B14C73D104 -610.31 9.76 -8.61 -0.31 0
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336610 127255617 1 O6N8C27H38 A6B8C27D38 -201.57 2.32 -8.02 -0.64 0
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336611 127255618 1 SN7O9C51H77 AB7C9D51E77 -352.46 4.18 -8.31 -1.54 0
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336612 127255619 1 SN6O6C39H62 AB6C6D39E62 -247.49 9.81 -8.43 -0.64 0
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336615 127255622 2 O2C15H24 A2B15C24 -118.73 4.82 -9.16 0.75 0
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336616 127255623 1 N2F3O6C29H29 A2B3C6D29E29 -324.85 12.91 -8.72 -1.87 0
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336617 127255624 1 N2O2F3C25H25 A2B2C3D25E25 -169.35 5.72 -8.27 -1.25 0
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336618 127255625 1 N2O4C27H30 A2B4C27D30 -132.0 3.86 -9.04 -0.24 0
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336619 127255626 1 ClSN6O6C41H67 ABC6D6E41F67 -283.24 8.59 -8.43 -0.56 0
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336620 127255627 1 SN6O6C41H66 AB6C6D41E66 -256.55 5.99 -8.64 -0.69 0
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336621 127255628 1 ClPN2O5C16H20 ABC2D5E16F20 -280.52 4.95 -9.29 -0.55 0
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336622 127255629 1 FNO2C22H30 ABC2D22E30 -130.53 15.01 -7.65 -1.35 0