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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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328413 126722940 2 NO2C16H26 AB2C16D26 -191.18 3.4 -9.56 0.41 0
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328414 126722946 1 SN7O15C55H79 AB7C15D55E79 -580.04 15.39 -8.1 -2.14 0
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328415 126722950 1 BrN7O15C51H70 AB7C15D51E70 -552.77 4.99 -9.22 -0.72 0
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328416 126722952 1 FN2S3C49H75 AB2C3D49E75 -73.09 3.07 -8.28 -1.66 0
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328417 126722954 1 N3O4C21H23 A3B4C21D23 -71.07 8.13 -9.01 -1.03 0
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328418 126722956 1 N3O4C20H21 A3B4C20D21 -72.67 4.78 -8.94 -1.2 0
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328419 126722960 1 N3O4C19H19 A3B4C19D19 -60.82 6.08 -9.03 -1.04 0
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328420 126722974 1 BrFNSO2C23H31 ABCDE2F23G31 -143.41 6.32 -8.71 -0.52 0
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328421 126722976 2 N2O3C19H21 A2B3C19D21 -179.98 11.47 -8.59 -0.43 0
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328422 126722978 1 FN3O5C38H46 AB3C5D38E46 -235.52 5.38 -9.36 -0.57 0
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328423 126722979 1 FN3O3C33H38 AB3C3D33E38 -129.63 7.88 -9.12 -0.71 0
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328424 126722980 1 NSO2C17H35 ABC2D17E35 -153.65 1.78 -8.61 0.7 0
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328425 126722981 1 NSO2C17H35 ABC2D17E35 -159.36 3.01 -8.83 0.49 0
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328426 126722992 1 N3O5C34H57 A3B5C34D57 -228.12 3.24 -9.46 0.4 0
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328427 126722993 1 NO3C29H47 AB3C29D47 -139.84 1.15 -9.52 0.51 0
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328428 126722997 1 N2S2O4F12C43H46 A2B2C4D12E43F46 -788.75 4.34 -9.25 -1.67 0
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328429 126723005 1 O4N8C29H36 A4B8C29D36 -81.43 4.4 -9.06 -0.35 0
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328430 126723008 1 O2S2N3C23H27 A2B2C3D23E27 -5.1 1.58 -8.19 -0.62 0
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328431 126723019 1 O5N8C27H32 A5B8C27D32 -111.65 2.6 -8.99 -0.81 0
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328432 126723024 1 N2O2H15F19C20 A2B2C15D19E20 -999.98 4.13 -8.39 -0.6 0
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328433 126723044 1 N3O4C11H15 A3B4C11D15 -148.24 5.59 -8.98 0.06 0
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328434 126723062 1 NO2C14H25 AB2C14D25 -89.14 2.64 -8.98 0.54 0
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328436 126723069 1 P3N8C11O13H17 A3B8C11D13E17 -629.14 9.73 -9.41 -0.71 0
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328437 126723071 1 N2O6C17H18 A2B6C17D18 -141.1 8.91 -9.17 -1.15 0
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328439 126723078 3 NOH5C6 ABC5D6 -18.81 7.21 -9.56 -1.02 0
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328440 126723079 1 O7C12H20 A7B12C20 -331.52 3.44 -10.13 0.31 0
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328441 126723080 1 NO4C16H21 AB4C16D21 -152.38 4.14 -10.13 0.28 0
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328442 126723081 1 F3N3O3H14C20 A3B3C3D14E20 -152.07 9.68 -9.7 -1.41 0
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328443 126723083 1 INO4C15H22 ABC4D15E22 -164.25 2.81 -9.89 -1.29 0
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328446 126723089 6 OC2H3 AB2C3 -190.47 1.8 -9.82 0.89 0
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328447 126723093 1 SO2N6C22H24 AB2C6D22E24 33.23 7.16 -8.98 -1.03 0
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328448 126723094 2 O5C18H27 A5B18C27 -424.71 2.56 -9.64 0.42 0
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328449 126723097 1 INO4C21H34 ABC4D21E34 -184.29 4.98 -9.31 -1.13 0
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328450 126723099 1 INO3C15H24 ABC3D15E24 -129.19 2.61 -9.91 -1.07 0
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328451 126723100 1 NO5C16H23 AB5C16D23 -199.17 3.92 -10.17 -0.5 0
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328452 126723102 1 O5C9H12 A5B9C12 -220.21 3.07 -10.76 0.36 0
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328453 126723115 1 O4C15H24 A4B15C24 -198.64 5.13 -9.81 0.81 0
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328455 126723119 1 SO3N6C25H28 AB3C6D25E28 -21.76 7.31 -8.52 -1.35 0
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328456 126723121 1 O4C19H24 A4B19C24 -136.78 0.72 -8.13 -0.29 0
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328457 126723123 1 SO5N7C27H31 AB5C7D27E31 -119.58 6.68 -8.42 -1.2 0
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328458 126723124 1 NO3C15H25 AB3C15D25 -150.29 3.64 -9.92 1.26 0
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328459 126723125 1 INO4C17H26 ABC4D17E26 -176.95 5.51 -9.79 -1.23 0
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328460 126723126 1 NO4C17H27 AB4C17D27 -190.83 3.37 -9.9 0.69 0
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328461 126723132 2 NC4H10 AB4C10 -20.69 2.42 -8.86 2.56 0
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328462 126723133 1 SN4O8C41H46 AB4C8D41E46 -288.87 10.64 -9.01 -0.38 0
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328463 126723138 1 SO5N6C18H28 AB5C6D18E28 -208.48 8.07 -9.02 -0.05 0
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328464 126723142 1 NS2F3O6C8H14 AB2C3D6E8F14 -397.87 7.6 -10.67 -1.23 1
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328465 126723148 1 N3O4C33H38 A3B4C33D38 -95.19 5.41 0.0 0.0 0
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328466 126723153 2 OH10C12 AB10C12 8.97 3.23 -8.25 -0.46 0
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328467 126723171 1 NO2C11H17 AB2C11D17 -61.86 8.32 -8.21 -0.68 0
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328468 126723173 1 ON2C17H22 AB2C17D22 21.2 2.09 -8.11 0.2 0
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328469 126723178 1 OSN5C23H23 ABC5D23E23 84.83 2.76 -8.72 -0.74 0
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328470 126723179 2 ON2H8C10 AB2C8D10 50.97 3.17 -9.42 -1.01 0
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328471 126723180 1 NC11H23 AB11C23 -42.22 1.38 -8.34 2.96 0
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328472 126723182 1 FO2N4H19C20 AB2C4D19E20 -45.47 2.48 -9.18 -1.14 0
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328473 126723183 1 FNO2C8H10 ABC2D8E10 -97.26 4.96 -9.8 -0.75 0
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328474 126723188 1 O3N4H14C19 A3B4C14D19 11.49 6.5 -9.76 -1.52 0
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328475 126723189 1 ClON6H21C22 ABC6D21E22 98.02 4.68 -8.86 -0.87 0
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328476 126723191 1 F2N3O3H15C20 A2B3C3D15E20 -80.27 3.15 -8.86 -0.98 0
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328477 126723192 1 ON2C13H16 AB2C13D16 -26.0 1.47 -8.96 -0.14 0
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328478 126723197 1 SO2N7C20H25 AB2C7D20E25 98.15 0.88 -7.01 -1.55 0
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328479 126723199 1 FON7H20C23 ABC7D20E23 110.28 2.69 -8.88 -1.29 0
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328480 126723201 1 N2O4C21H28 A2B4C21D28 -156.03 5.01 -8.91 -0.22 0
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328481 126723205 1 ClSO3N6C22H29 ABC3D6E22F29 33.37 3.37 -6.88 -1.59 0
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328482 126723211 1 NO14C55H85 AB14C55D85 -509.58 4.85 -8.33 -0.06 0
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328483 126723223 1 N4O4C43H86 A4B4C43D86 -312.71 3.8 -9.26 1.32 0
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328484 126723227 1 O2C7H14 A2B7C14 -96.91 2.64 -10.3 1.01 0
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328485 126723232 1 FN4O5C15H23 AB4C5D15E23 -255.12 7.17 -9.74 -0.5 0
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328486 126723240 3 NH13C17 AB13C17 198.61 2.62 -7.87 -0.58 0
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328487 126723241 1 SF2O4C13H22 AB2C4D13E22 -294.34 2.96 -9.4 -0.94 0
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328488 126723245 1 ClFN3O5C17H25 ABC3D5E17F25 -277.77 6.77 -9.8 -0.59 0
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328489 126723337 1 N2O4H18C21 A2B4C18D21 -31.28 5.82 -9.04 -1.24 0
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328490 126723358 1 NO3C12H23 AB3C12D23 -159.12 3.46 -8.7 0.74 0
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328491 126723367 1 FN2O2H15C20 AB2C2D15E20 -20.46 1.1 -9.3 -1.1 0
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328492 126723413 1 FSO2N7C20H22 ABC2D7E20F22 1.74 0.72 -8.99 -1.89 0