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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48570 11108642 1 NOC19H19 ABC19D19 40.64 4.19 -9.06 -0.81 0
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48571 11108645 1 NVO3H11C13 ABC3D11E13 -84.32 6.87 0.0 0.0 0
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48572 11108648 2 O3C7H7 A3B7C7 -235.01 7.4 -10.42 -1.05 0
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48573 11108649 2 O3C7H7 A3B7C7 -206.28 6.81 -9.41 -1.12 0
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48574 11108679 1 ClN2O2C14H15 AB2C2D14E15 10.83 2.83 -9.52 -0.69 0
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48575 11108699 1 NO4C15H21 AB4C15D21 -148.57 1.5 -8.96 -0.55 0
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48576 11108701 1 NO4C15H21 AB4C15D21 -169.72 2.24 -9.57 0.03 0
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48577 11108702 1 NO4C15H21 AB4C15D21 -150.5 3.05 -8.95 0.0 0
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48578 11108704 1 SN3H13C16 AB3C13D16 99.92 3.91 -8.76 -1.41 0
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48579 11108705 1 NO3C16H25 AB3C16D25 -108.05 4.07 -9.74 0.52 0
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48580 11108706 1 NO3C16H25 AB3C16D25 -146.81 1.97 -8.84 0.04 0
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48581 11108707 1 NOC19H21 ABC19D21 10.84 3.55 -8.95 -0.39 0
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48582 11108714 1 NOCl2H11C14 ABC2D11E14 -13.89 1.93 -9.1 -0.8 0
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48583 11108715 1 O2F5H9C12 A2B5C9D12 -298.14 4.1 -8.81 -0.99 0
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48584 11108719 2 NO3C6H6 AB3C6D6 -113.59 3.26 -10.65 -1.53 1
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48585 11108721 1 N2O6C12H13 A2B6C12D13 -148.75 6.14 0.0 0.0 0
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48586 11108723 1 BC20H29 AB20C29 -7.65 0.51 -8.96 0.14 0
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48587 11108728 5 OC3H4 AB3C4 -183.99 1.98 -8.28 -0.07 0
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48588 11108729 5 OC3H4 AB3C4 -196.33 2.47 -8.4 0.06 0
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48589 11108730 1 O3H16C18 A3B16C18 -64.82 6.39 -9.15 -0.31 0
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48590 11108879 1 BrF3O3H4C8 AB3C3D4E8 -255.72 6.1 -10.44 -1.45 0
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48591 11109049 1 O3C18H26 A3B18C26 -122.79 3.98 -9.25 -0.09 0
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48592 11109050 1 O3C18H26 A3B18C26 -161.39 2.5 -9.7 0.05 0
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48593 11109211 1 NOC20H25 ABC20D25 3.32 0.21 -9.27 0.3 0
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48594 11109323 1 OC20H42 AB20C42 -145.05 2.18 -10.31 2.88 0
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48595 11109351 1 NO2C19H25 AB2C19D25 -67.1 3.48 -9.0 0.18 0
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48596 11109352 1 NO2C19H25 AB2C19D25 -92.91 4.16 -9.34 0.06 0
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48597 11109466 1 BrNO4C11H14 ABC4D11E14 -156.34 1.25 -8.97 -0.44 0
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48598 11109871 1 SN6H8C16 AB6C8D16 179.5 5.79 -9.41 -1.49 0
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48599 11109877 1 O4C19H24 A4B19C24 -139.82 3.95 -9.6 0.0 0
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48600 11109880 2 OH10C11 AB10C11 -12.65 1.28 -9.37 0.03 0
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48601 11109884 1 SN2O2C17H20 AB2C2D17E20 -55.88 6.82 -8.77 -0.76 0
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48602 11109886 1 O3C20H28 A3B20C28 -123.39 3.97 -8.99 -0.64 0
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48603 11109887 1 SSiN2O4C12H20 ABC2D4E12F20 -183.22 2.26 -9.12 -0.58 0
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48604 11109889 1 SiO5C15H28 AB5C15D28 -307.75 5.17 -9.78 0.85 0
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48605 11109910 1 NSO6C13H19 ABC6D13E19 -218.47 5.64 -8.31 -0.62 0
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48606 11109912 1 NO4C18H23 AB4C18D23 -169.59 3.84 -9.92 -0.69 0
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48607 11109918 1 ON3H19C20 AB3C19D20 51.28 5.94 -8.5 -0.22 0
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48608 11109921 1 S2N3O3C12H19 A2B3C3D12E19 -65.79 4.76 -9.43 -1.19 0
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48609 11109923 1 NSO2C18H23 ABC2D18E23 -52.89 5.59 -8.42 -0.03 0
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48610 11109935 1 O6C17H18 A6B17C18 -197.65 4.43 -8.82 -1.54 0
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48611 11109937 1 SO7C13H18 AB7C13D18 -284.48 7.53 -10.24 -0.9 0
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48612 11109951 1 N2O3C18H26 A2B3C18D26 -81.16 5.33 -8.94 0.05 0
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48613 11109957 1 O2C21H34 A2B21C34 -113.98 1.44 -8.92 1.61 0
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48614 11109960 1 ClF3O3H10C14 AB3C3D10E14 -240.96 6.05 -9.66 -0.84 0
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48615 11109976 1 ON3C20H21 AB3C20D21 40.79 2.06 -8.3 0.06 0
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48616 11110029 1 Cl2O2H14C17 A2B2C14D17 -36.05 3.37 -9.34 -0.36 0
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48617 11110049 1 ON3C20H23 AB3C20D23 19.7 6.48 -9.08 -0.65 0
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48618 11110050 1 N5C19H23 A5B19C23 73.02 8.68 -8.59 -0.58 0
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48619 11110053 1 NOSH19C20 ABCD19E20 4.69 4.62 -8.32 -0.66 0
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48620 11110073 2 NOC10H11 ABC10D11 14.46 1.94 -8.98 -0.33 0
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48621 11110083 1 O2C21H38 A2B21C38 -124.76 3.09 -9.37 1.36 0
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48622 11110098 1 NO5C17H25 AB5C17D25 -236.23 1.97 -9.83 -0.17 0
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48623 11110115 1 Cl2N3O3H7C13 A2B3C3D7E13 -84.67 5.68 -9.76 -1.3 0
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48624 11110117 1 OCl2N3C15H15 AB2C3D15E15 24.23 4.16 -9.7 -1.08 0
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48625 11110130 4 OC5H5 AB5C5 -111.35 3.07 -9.23 -0.2 0
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48626 11110133 2 ON2C9H10 AB2C9D10 -36.65 4.73 -8.37 -0.68 0
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48627 11110135 1 SN2O2H16C18 AB2C2D16E18 16.61 4.01 -8.12 -1.06 0
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48628 11110140 2 NOC10H12 ABC10D12 16.39 6.77 -9.17 -0.75 0
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48629 11110146 1 O2S3C15H16 A2B3C15D16 -16.72 5.36 -8.66 -0.65 0
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48630 11110160 1 BrN2O2C14H17 AB2C2D14E17 -61.77 6.57 -8.91 -0.28 0
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48631 11110168 1 NO4C19H19 AB4C19D19 -99.54 4.73 -8.94 -0.29 0
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48632 11110170 1 SSeC16H22 ABC16D22 42.15 1.25 -8.29 0.12 0
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48633 11110178 1 ClNF3H15C17 ABC3D15E17 -108.33 3.73 -9.52 -0.63 0
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48634 11110193 1 BOC22H35 ABC22D35 -85.64 2.13 -9.27 1.03 0
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48635 11110198 1 FSO2H15C19 ABC2D15E19 -27.44 6.77 -8.7 -1.42 0
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48636 11110199 2 O2C10H11 A2B10C11 -117.56 3.6 -9.25 -0.16 0
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48637 11110202 1 N2S2O4C13H14 A2B2C4D13E14 -1.41 8.63 -8.3 -1.82 0
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48638 11110204 1 OSN4C17H18 ABC4D17E18 36.3 2.72 -8.76 -0.7 0
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48639 11110205 2 NOC10H13 ABC10D13 -41.64 1.73 -8.39 -0.45 0
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48640 11110208 1 ON4C19H26 AB4C19D26 9.05 0.64 -8.63 0.1 0
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48641 11110211 1 SiO4C17H30 AB4C17D30 -226.66 3.21 -8.91 0.04 0
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48642 11110223 1 BNSO2C18H22 ABCD2E18F22 -121.9 3.42 -8.39 -0.1 0
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48643 11110225 1 NO7C15H21 AB7C15D21 -291.93 1.65 -9.74 -0.24 0
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48644 11110232 1 NO3C20H25 AB3C20D25 -92.69 1.14 -9.19 0.36 0
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48645 11110234 1 NSO2C19H21 ABC2D19E21 -24.94 2.19 -8.76 -0.54 0
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48646 11110236 1 NSH17C22 ABC17D22 105.23 3.31 -7.85 -0.65 0
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48647 11110238 1 NSiO3C18H21 ABC3D18E21 -75.37 4.21 -8.77 -0.66 0
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48648 11110245 2 OC6H8 AB6C8 -70.4 1.65 -8.13 0.48 0
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48649 11110251 1 O5C19H20 A5B19C20 -129.52 3.66 -9.14 -1.19 0
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48650 11110257 2 NO2C9H10 AB2C9D10 -20.1 4.76 -8.56 -1.23 0
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48651 11110262 1 N2O3C19H24 A2B3C19D24 -130.62 4.28 -9.54 -0.34 0
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48652 11110282 1 PO4N5C12H20 AB4C5D12E20 -182.17 3.24 -8.62 -0.21 0
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48653 11110285 1 BrOC17H29 ABC17D29 -12.82 2.72 -10.2 -0.15 0
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48654 11110288 1 NO6C16H27 AB6C16D27 -273.41 4.36 -9.64 -0.58 0
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48655 11110291 1 NO2H19C22 AB2C19D22 14.37 2.82 -9.58 -0.42 0
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48656 11110299 1 NSiO3C17H35 ABC3D17E35 -184.19 2.66 -8.84 0.02 0
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48657 11110302 2 OCl2C6H6 AB2C6D6 -69.01 1.93 -9.51 -0.21 0
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48658 11110305 1 N2F3O4H13C14 A2B3C4D13E14 -232.98 5.61 -9.67 -1.07 0
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48659 11110309 6 OC3H3 AB3C3 -197.02 2.21 -9.19 -1.04 0
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48660 11110315 1 O3H18C22 A3B18C22 -38.24 3.85 -7.88 -0.62 0
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48661 11110319 1 SO2N4C16H18 AB2C4D16E18 9.81 3.27 -9.54 -1.11 0
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48662 11110329 1 SiN2O5C14H26 AB2C5D14E26 -223.87 2.21 -8.84 -1.05 0
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48663 11110335 1 N2C23H26 A2B23C26 56.48 0.95 -8.18 0.41 0
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48664 11110336 2 OC11H17 AB11C17 -87.15 3.8 -9.18 -0.3 0
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48665 11110337 1 ClN2O5C14H19 AB2C5D14E19 -224.91 0.88 -9.45 -0.72 0
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48666 11110338 1 ClN2O3H15C17 AB2C3D15E17 -104.43 3.96 -8.66 -0.86 0
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48667 11110343 1 BrSiO2C14H23 ABC2D14E23 -130.04 1.76 -8.55 -0.58 0
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48668 11110364 1 SN4O4H12C14 AB4C4D12E14 -94.48 8.01 -9.24 -1.32 0
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48669 11110373 1 O7C16H28 A7B16C28 -353.01 2.06 -10.46 0.28 0