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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298368 117648677 1 S2N6O9C23H24 A2B6C9D23E24 -231.39 8.99 -9.26 -1.51 0
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298370 117648683 1 FO2N7C26H34 AB2C7D26E34 -67.26 4.01 -8.65 -0.93 0
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298371 117648691 1 S2N6O6C21H22 A2B6C6D21E22 -111.92 7.15 -9.13 -1.44 0
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298372 117648712 1 S2N6O7C23H24 A2B6C7D23E24 -148.69 7.97 -9.15 -1.38 0
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298373 117648714 1 F2O4N7C30H35 A2B4C7D30E35 -166.27 6.88 -8.6 -0.93 0
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298374 117648715 1 O3C15H28 A3B15C28 -161.76 4.77 -9.38 1.47 0
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298375 117648718 2 NO2C7H10 AB2C7D10 -174.97 4.35 -9.52 -0.38 0
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298378 117648726 1 FO2S2H19C28 AB2C2D19E28 5.42 1.68 -8.86 -0.8 0
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298379 117648728 1 FO2S2H21C29 AB2C2D21E29 -6.01 2.04 -8.91 -0.72 0
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298380 117648732 2 OSH10C12 ABC10D12 9.41 0.23 -8.68 -0.8 0
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298381 117648736 1 S2N6O6H22C25 A2B6C6D22E25 -81.04 9.01 -9.1 -1.34 0
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298382 117648748 1 FO3N9C25H34 AB3C9D25E34 -104.49 3.53 -8.62 -0.88 0
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298383 117648765 1 FSO3N7C27H32 ABC3D7E27F32 -92.74 8.95 -8.28 -0.6 0
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298384 117648766 1 FO2N8C22H27 AB2C8D22E27 -18.92 3.07 -8.34 -0.81 0
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298385 117648781 1 FO5N7C31H38 AB5C7D31E38 -175.85 7.57 -8.52 -0.59 0
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298386 117648821 1 FSO3N8C28H35 ABC3D8E28F35 -91.37 3.15 -7.81 -0.42 0
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298387 117648841 1 F2O4N7C26H37 A2B4C7D26E37 -240.47 4.94 -8.37 -0.72 0
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298388 117648844 1 F2O3N7C29H33 A2B3C7D29E33 -145.59 7.65 -8.28 -0.62 0
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298389 117648920 1 NC11H17 AB11C17 -0.41 2.94 -9.59 0.03 0
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298390 117648983 1 SO3N5C17H21 AB3C5D17E21 -94.26 5.18 -8.49 -1.05 0
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298391 117649046 1 NC40H47 AB40C47 -0.3 2.23 -7.26 0.24 0
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298392 117649075 1 NS2H17C30 AB2C17D30 139.39 3.3 -8.14 -0.89 0
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298393 117649078 2 NOH12C21 ABC12D21 141.82 3.35 -7.94 -0.98 0
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298394 117649083 1 O3N7C24H33 A3B7C24D33 -98.33 8.49 -8.39 -0.52 0
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298395 117649085 2 NOC4H7 ABC4D7 -92.41 6.6 -9.14 0.8 0
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298396 117649090 2 NOC9H10 ABC9D10 -39.27 0.82 -9.43 0.03 0
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298397 117649168 1 ON3C12H17 AB3C12D17 -8.82 1.23 -9.69 -0.83 0
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298398 117649171 1 SN3C12H17 AB3C12D17 22.71 1.45 -9.59 -0.93 0
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298399 117649173 1 N3C13H17 A3B13C17 38.56 4.48 -9.65 -1.0 0
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298400 117649175 1 ClO2N6H29C32 AB2C6D29E32 60.17 2.06 -8.32 -0.73 0
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298401 117649176 1 SO2N8H30C32 AB2C8D30E32 87.6 11.66 -8.28 -0.74 0
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298402 117649186 1 N3C24H31 A3B24C31 56.42 4.06 -8.44 -0.3 0
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298403 117649188 1 N3O4C29H37 A3B4C29D37 -114.44 7.74 -8.58 -0.26 0
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298404 117649194 1 NO5H21C22 AB5C21D22 -128.65 3.77 -8.95 -0.69 0
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298405 117649202 1 FN2O2H17C21 AB2C2D17E21 -17.18 4.0 -8.94 -0.78 0
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298406 117649209 1 NO6C17H19 AB6C17D19 -209.3 4.43 -8.46 -0.79 0
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298407 117649324 2 NH17C29 AB17C29 270.11 0.56 -7.97 -1.22 0
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298408 117649335 1 N3H35C50 A3B35C50 204.78 1.9 -7.7 -0.59 0
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298409 117649338 1 O2N3H35C50 A2B3C35D50 143.94 3.66 -7.73 -0.65 0
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298410 117649339 3 NH13C19 AB13C19 234.59 0.77 -7.91 -0.62 0
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298411 117649341 1 N3H33C52 A3B33C52 238.46 1.97 -7.94 -0.81 0
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298412 117649342 1 N3O8C28H51 A3B8C28D51 -387.48 7.36 -9.77 0.37 0
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298413 117649344 1 SO4N8C20H38 AB4C8D20E38 -86.65 4.38 -9.0 -0.53 0
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298414 117649347 1 O2N3H39C60 A2B3C39D60 208.17 2.24 -7.83 -0.68 0
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298415 117649352 1 N3H31C48 A3B31C48 222.33 3.36 -8.1 -0.66 0
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298416 117649353 1 N3H35C54 A3B35C54 245.06 1.02 -8.11 -0.64 0
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298417 117649355 1 N3H35C54 A3B35C54 246.08 3.2 -8.0 -0.6 0
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298418 117649369 1 FNO4H22C27 ABC4D22E27 -96.22 3.56 -8.82 -0.77 0
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298419 117649373 1 ON3H35C54 AB3C35D54 215.31 3.51 -8.09 -0.66 0
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298420 117649392 1 O2N3H35C50 A2B3C35D50 143.33 3.82 -7.88 -0.73 0
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298421 117649400 1 N3H33C49 A3B33C49 212.48 2.33 -8.13 -0.66 0
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298422 117649405 1 ON3H35C54 AB3C35D54 214.52 0.6 -8.17 -0.78 0
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298423 117649408 1 N3H33C52 A3B33C52 239.9 1.58 -8.05 -0.94 0
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298424 117649413 1 ON3H37C60 AB3C37D60 246.23 2.69 -7.98 -0.85 0
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298425 117649416 1 N3H39C52 A3B39C52 199.9 2.73 -7.95 -0.62 0
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298426 117649420 1 N3H43C62 A3B43C62 259.98 1.51 -7.93 -0.65 0
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298427 117649426 1 ON3H33C54 AB3C33D54 224.25 4.36 -7.92 -0.86 0
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298428 117649427 1 SN3H33C54 AB3C33D54 252.73 4.37 -7.93 -0.88 0
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298429 117649434 1 SN3H29C48 AB3C29D48 246.85 3.7 -8.18 -0.86 0
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298430 117649437 1 ON3H33C54 AB3C33D54 239.01 0.67 -8.12 -0.72 0
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298431 117649441 1 ON3H29C43 AB3C29D43 177.47 4.09 -8.07 -0.58 0
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298432 117649443 1 O10C31H38 A10B31C38 -438.21 3.36 -8.65 0.05 0
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298433 117649445 1 NOC11H15 ABC11D15 -35.41 2.35 -9.29 0.27 0
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298434 117649447 1 FSN2O2C21H25 ABC2D2E21F25 -80.76 3.8 -8.94 0.24 0
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298435 117649448 1 O9C38H46 A9B38C46 -329.2 9.62 -9.27 -1.18 0
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298436 117649465 1 NO3C18H27 AB3C18D27 -156.88 1.06 -9.42 -0.1 0
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298437 117649478 1 NO3C23H29 AB3C23D29 -128.45 2.41 -8.88 -0.07 2
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298438 117649482 2 NC22H47 AB22C47 -176.4 0.5 -8.54 1.76 0
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298439 117649502 1 N2S3O10H34C37 A2B3C10D34E37 -302.99 18.08 -8.43 -1.82 0
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298440 117649504 1 N2S3O10C41H42 A2B3C10D41E42 -314.5 18.93 -8.36 -1.78 0
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298441 117649505 1 N2S2O7C47H54 A2B2C7D47E54 -204.07 14.27 -8.31 -1.66 0
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298442 117649508 1 N2S4O13C43H46 A2B4C13D43E46 -439.17 15.36 -8.86 -2.14 0
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298443 117649542 1 S4N9O11C30H31 A4B9C11D30E31 -268.03 4.93 -8.73 -2.11 0
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298444 117649558 1 S5N14O23H56C80 A5B14C23D56E80 -506.81 11.2 -8.64 -2.14 0
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298445 117649565 1 S2N9O11H25C26 A2B9C11D25E26 -256.6 6.68 -9.0 -2.09 0
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298446 117649574 1 S3O15N16H68C79 A3B15C16D68E79 -303.85 2.65 -8.66 -2.16 0
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298447 117649576 1 S2N10O11H22C27 A2B10C11D22E27 -229.33 3.55 -9.26 -1.72 0
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298448 117649579 1 NO2C17H27 AB2C17D27 -98.05 3.96 -8.56 0.36 0
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298449 117649586 1 S2O9N10C31H32 A2B9C10D31E32 -168.76 10.33 -8.54 -1.92 0
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298450 117649602 1 NO2C18H31 AB2C18D31 -142.24 3.85 -8.89 0.81 0
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298451 117649660 1 NOC16H25 ABC16D25 -56.94 3.18 -8.84 0.38 0
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298452 117649735 2 SN4C15H19 AB4C15D19 94.5 5.1 -8.69 -0.09 0
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298453 117649742 1 NPO5C53H104 ABC5D53E104 -440.14 2.92 -8.65 0.6 0
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298454 117649903 1 NO4C35H71 AB4C35D71 -320.26 2.1 -9.82 0.92 0
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298455 117649909 2 O5C22H22 A5B22C22 -207.37 2.8 -8.47 -0.87 0
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298456 117649918 1 O8C29H34 A8B29C34 -202.88 3.13 -8.91 -0.77 0
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298457 117649933 1 NOSC12H15 ABCD12E15 -13.83 6.31 -8.48 -0.71 0
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298458 117649952 1 N2S2C15H20 A2B2C15D20 73.33 2.21 -8.02 -0.11 0
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298459 117649958 1 S2O4C11H18 A2B4C11D18 -165.27 3.19 -8.85 -0.05 0
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298460 117649960 1 N2S2O5C15H24 A2B2C5D15E24 -239.28 4.08 -8.8 -0.57 0
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298461 117649966 1 NO2C21H25 AB2C21D25 -61.84 8.41 -9.81 -0.37 0
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298462 117649976 1 S3N6O18C46H64 A3B6C18D46E64 -779.92 8.76 -9.12 -0.43 0
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298463 117649980 1 NOC21H27 ABC21D27 -30.61 4.37 -9.4 -0.17 0
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298464 117649996 1 SF2O3N8C25H26 AB2C3D8E25F26 -92.12 3.98 -8.73 -1.12 0
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298465 117650015 1 NH17C21 AB17C21 67.09 1.7 -8.24 -0.34 0
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298466 117650018 1 ClFSN4O5C23H26 ABCD4E5F23G26 -177.62 7.29 -8.84 -1.09 0
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298467 117650033 1 O2N3C27H31 A2B3C27D31 36.58 2.34 -8.64 -0.42 0
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298468 117650036 1 ClSF2O4N6C27H27 ABC2D4E6F27G27 -150.42 6.36 -8.34 -0.94 0
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298469 117650037 2 N2O4C21H29 A2B4C21D29 -374.03 3.46 -8.34 -0.4 0
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298470 117650038 1 SF2O3N8C25H26 AB2C3D8E25F26 -94.99 2.41 -8.67 -1.04 0