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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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