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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383584 134975380 2 O2N3C11H13 A2B3C11D13 -60.75 1.38 -10.22 -1.57 0
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383585 134975381 1 SC23H28 AB23C28 19.16 1.07 -8.44 -0.26 0
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383586 134975383 1 O4C17H24 A4B17C24 -152.59 4.48 -9.78 0.55 0
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383587 134975384 1 O3C17H22 A3B17C22 -104.39 2.58 -8.41 1.22 0
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383588 134975386 1 O5C17H22 A5B17C22 -132.78 3.06 -8.66 -0.14 0
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383589 134975388 1 BrN8C26H45 AB8C26D45 40.0 6.25 -8.04 0.1 0
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383590 134975389 1 NO3C21H25 AB3C21D25 -84.65 5.54 -8.84 -0.07 0
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383591 134975390 1 SO3N5C35H35 AB3C5D35E35 23.32 10.46 -8.74 -0.5 0
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383592 134975391 2 O2C6H11 A2B6C11 -210.0 4.8 -10.34 -0.06 0
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383593 134975392 1 O6C17H30 A6B17C30 -322.82 5.77 -9.66 0.76 0
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383594 134975393 1 O7C30H52 A7B30C52 -397.45 8.04 -9.24 1.97 0
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383595 134975394 2 O3C14H25 A3B14C25 -334.88 8.19 -9.9 0.66 0
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383596 134975395 1 N2O12C27H28 A2B12C27D28 -459.31 8.85 -9.13 -1.96 0
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383597 134975397 1 NO5C14H25 AB5C14D25 -264.35 2.94 -9.76 0.53 0
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383598 134975399 1 NO6C34H41 AB6C34D41 -225.28 1.96 -9.41 0.03 0
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383599 134975400 1 O2N4H10C11 A2B4C10D11 66.07 9.08 -9.28 -1.34 0
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383600 134975403 1 BrNPdO2H12C16 ABCD2E12F16 21.25 6.65 -8.48 -1.55 0
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383601 134975404 1 NPdO2H11C16 ABC2D11E16 58.64 2.42 -7.6 -0.53 0
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383602 134975405 1 NO2H13C16 AB2C13D16 -4.89 2.86 -9.51 -0.73 -1
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383604 134975409 1 O2N4H14C15 A2B4C14D15 70.89 8.96 -9.06 -1.1 0
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383605 134975410 1 SN4C10H10 AB4C10D10 100.5 5.76 -8.5 -1.29 0
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383606 134975413 1 NPS2O3C8H14 ABC2D3E8F14 -153.95 6.88 -8.78 -0.94 1
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383607 134975415 1 NSO2C13H14 ABC2D13E14 -49.42 2.8 0.0 0.0 0
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383608 134975416 1 INOSC9H10 ABCDE9F10 -3.29 5.09 -8.24 -1.26 0
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383609 134975417 1 SeN2C8H8 AB2C8D8 50.73 1.96 -8.56 -0.44 0
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383610 134975418 1 TeO2C8H10 AB2C8D10 -50.56 5.45 -8.48 -0.38 0
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383611 134975423 1 N2O2C13H16 A2B2C13D16 -37.27 4.09 -8.94 -0.42 0
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383612 134975424 2 NC6H7 AB6C7 45.29 3.06 -9.17 0.38 0
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383613 134975425 1 BrIN2O2C8H10 ABC2D2E8F10 -33.15 2.71 -9.35 -1.4 0
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383614 134975426 1 OSeH12C13 ABC12D13 -17.71 3.4 -8.67 -0.62 0
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383615 134975427 1 LiN2C11H13 AB2C11D13 54.28 10.05 -7.02 1.31 0
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383616 134975428 1 SeF3O4C9H9 AB3C4D9E9 -334.1 6.24 -9.67 -1.61 0
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383617 134975429 1 ClS3O4C6H9 AB3C4D6E9 14.41 11.42 -9.17 -3.26 0
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383618 134975430 1 Cl2O2C11H12 A2B2C11D12 -92.83 3.96 -9.45 -0.61 0
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383619 134975431 1 NO2C15H19 AB2C15D19 -67.07 4.05 -8.06 -0.1 0
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383620 134975432 1 ClSO6C7H9 ABC6D7E9 -80.82 8.06 -9.38 -3.95 0
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383621 134975435 1 ClS2O4C9H9 AB2C4D9E9 26.38 7.24 -9.23 -4.46 0
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383622 134975436 1 NO4C13H13 AB4C13D13 -92.41 3.73 -9.76 -1.1 0
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383623 134975437 1 NOC15H19 ABC15D19 -11.85 2.48 -8.98 -0.19 0
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383624 134975438 1 SO2N3H9C10 AB2C3D9E10 -16.83 6.38 -8.78 -0.84 0
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383625 134975441 1 OSCl2N2H4C10 ABC2D2E4F10 49.4 3.64 -9.63 -1.69 0
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383626 134975442 1 NNa2S3H5C9 AB2C3D5E9 -14.37 11.12 -6.4 -0.51 0
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383627 134975443 1 SO2N4C11H20 AB2C4D11E20 33.11 9.84 -8.1 -0.8 0
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383628 134975444 1 O2N3C7H11 A2B3C7D11 -57.02 0.87 -8.95 -0.24 0
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383629 134975445 1 TeBr2O2H6C9 AB2C2D6E9 -59.84 7.31 -9.16 -2.59 0
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383630 134975446 1 TeO2H10C11 AB2C10D11 -52.21 1.93 -8.38 -1.16 0
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383631 134975448 2 NC7H7 AB7C7 48.76 7.1 -8.56 -0.36 0
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383632 134975451 1 OS2C10H12 AB2C10D12 -49.23 4.35 -8.16 -0.97 0
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383633 134975452 1 OS2H10C12 AB2C10D12 2.43 3.21 -8.42 -1.38 0
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383634 134975453 1 ClS3O5C8H9 AB3C5D8E9 -13.12 14.0 -10.01 -3.18 0