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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174438 75764115 1 SN2O8C22H24 AB2C8D22E24 -249.0 13.16 -8.14 -2.97 0
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174439 75764116 1 ClFN2O4C16H20 ABC2D4E16F20 -207.01 3.49 -9.45 -0.38 -1
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174440 75764117 1 N3O4C20H20 A3B4C20D20 -97.78 8.14 0.0 0.0 1
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174441 75764359 1 N5C27H30 A5B27C30 148.47 2.89 0.0 0.0 0
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174442 75764677 1 BrS2N3O4H12C16 AB2C3D4E12F16 -80.48 6.24 -9.03 -2.07 -1
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174443 75764678 1 O3N4H13C16 A3B4C13D16 42.88 3.65 0.0 0.0 -1
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174444 75764679 1 FN3O3H13C19 AB3C3D13E19 -30.6 6.48 0.0 0.0 -1
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174445 75764680 1 F2S2N3O4H10C16 A2B2C3D4E10F16 -146.7 2.99 0.0 0.0 0
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174446 75764681 1 F2S2N3O4H11C16 A2B2C3D4E11F16 -171.85 4.4 -9.29 -1.86 -1
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174447 75764766 1 N2O5H19C22 A2B5C19D22 -87.55 17.27 0.0 0.0 1
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174448 75764984 1 N5O5C25H28 A5B5C25D28 9.76 6.41 0.0 0.0 1
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174449 75765290 1 ClON3C14H15 ABC3D14E15 41.8 7.13 0.0 0.0 1
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174450 75765291 1 ClON3C14H15 ABC3D14E15 42.27 7.79 0.0 0.0 0
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174451 75765374 2 NOC6H11 ABC6D11 -96.03 9.97 -9.02 0.43 0
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174452 75765375 1 NO2C10H15 AB2C10D15 -64.18 11.42 -9.16 -0.24 0
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174453 75765376 1 NO3C11H19 AB3C11D19 -138.0 11.7 -9.25 -0.05 1
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174454 75765472 1 N4C19H23 A4B19C23 95.26 4.53 0.0 0.0 1
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174455 75765559 1 ClON2C15H16 ABC2D15E16 7.7 2.17 0.0 0.0 -1
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174456 75765570 1 NO5H22C26 AB5C22D26 -31.6 25.61 0.0 0.0 -1
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174457 75765571 1 NO6H22C26 AB6C22D26 -94.72 3.56 0.0 0.0 -1
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174458 75765636 1 ClN4O5H18C22 AB4C5D18E22 -44.86 6.75 0.0 0.0 1
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174459 75765770 1 O2N5C17H28 A2B5C17D28 -50.55 2.87 0.0 0.0 1
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174460 75765771 1 ClON5C12H21 ABC5D12E21 -10.47 7.48 0.0 0.0 1
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174461 75765993 1 OCl3N3C20H25 AB3C3D20E25 13.45 2.57 0.0 0.0 2
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174462 75765994 1 FOCl2N3C20H26 ABC2D3E20F26 -52.67 0.96 -8.5 -0.56 0
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174463 75765995 1 FOCl2N3C20H24 ABC2D3E20F24 -51.15 2.29 -8.9 -0.53 1
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174464 75765996 1 FOCl2N3C20H25 ABC2D3E20F25 -25.84 1.72 0.0 0.0 2
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174465 75765997 1 OCl3N3C20H26 AB3C3D20E26 -11.02 1.01 -8.6 -0.69 1
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174466 75766342 1 NOCl2C18H22 ABC2D18E22 -6.71 3.54 0.0 0.0 1
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174467 75766343 1 NOCl2C24H26 ABC2D24E26 21.17 1.21 0.0 0.0 1
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174468 75766848 1 BrClFNO3C21H25 ABCDE3F21G25 -120.13 9.02 0.0 0.0 1
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174469 75766850 1 BrClFNO2C26H29 ABCDE2F26G29 -68.29 1.25 0.0 0.0 1
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174470 75766960 1 NCl2O3C20H24 AB2C3D20E24 -81.01 6.79 0.0 0.0 1
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174471 75767053 1 ClNO3C12H19 ABC3D12E19 -103.16 5.68 0.0 0.0 1
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174472 75767054 1 ClNO3C14H23 ABC3D14E23 -117.2 6.1 0.0 0.0 0
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174473 75767392 1 O2N3C19H21 A2B3C19D21 -11.09 4.56 -8.34 -0.39 0
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174474 75767409 2 ON2C8H10 AB2C8D10 -32.38 4.8 -9.38 -0.76 0
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174475 75768456 1 N2O3C19H20 A2B3C19D20 -96.09 5.27 -8.56 -0.56 0
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174476 75768592 1 O3N4C16H18 A3B4C16D18 -59.07 1.95 -8.82 -0.51 0
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174477 75768593 1 O3N4H20C21 A3B4C20D21 -26.3 2.17 -8.83 -0.53 0
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174478 75768594 1 N2O3C18H18 A2B3C18D18 -76.95 6.42 -8.86 -0.54 0
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174479 75768748 1 N3O3C24H29 A3B3C24D29 -84.82 6.18 -8.64 -0.46 0
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174480 75768749 1 N3O3C24H29 A3B3C24D29 -84.49 5.61 -8.61 -0.48 0
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174481 75769499 1 SN3O4C22H25 AB3C4D22E25 -145.79 7.34 -8.41 -0.8 0
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174482 75770605 1 O2N4C21H22 A2B4C21D22 18.63 6.49 -8.97 -0.61 0
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174483 75770948 1 O3N5C16H17 A3B5C16D17 -81.47 5.18 -9.16 -0.82 0
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174484 75771236 1 ClFO2N3H13C21 ABC2D3E13F21 57.78 4.92 -9.04 -1.53 -1
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174485 75771365 1 N3O3C17H20 A3B3C17D20 -61.39 1.25 0.0 0.0 0
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174486 75771935 1 FON3H18C19 ABC3D18E19 -17.28 6.95 -8.59 -0.34 0
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174487 75771968 1 FON3C20H20 ABC3D20E20 -23.96 6.19 -8.36 -0.6 0