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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399602 135041224 1 F2O2H10C13 A2B2C10D13 -124.87 3.71 -9.46 -1.17 0
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399603 135041232 1 NOC17H17 ABC17D17 5.5 3.1 -8.18 -0.04 0
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399604 135041233 1 O2H14C17 A2B14C17 10.81 2.75 -9.12 -0.85 0
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399605 135041236 1 NSC12H17 ABC12D17 25.72 0.93 -8.58 -0.29 0
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399606 135041237 1 SN3H7C12 AB3C7D12 180.17 2.14 -8.77 -0.98 0
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399607 135041238 1 IC17H19 AB17C19 30.71 2.54 -9.01 -0.64 0
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399608 135041239 1 N3C11H21 A3B11C21 4.58 3.46 -7.67 1.17 0
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399609 135041240 1 O3C15H26 A3B15C26 -161.89 7.06 -9.72 0.67 0
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399610 135041241 1 N2O4H6C7 A2B4C6D7 -29.29 4.22 -10.02 -1.77 0
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399611 135041242 1 NSO2C12H15 ABC2D12E15 -61.56 3.14 -8.81 -0.51 0
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399612 135041243 1 F3O3C13H17 A3B3C13D17 -277.78 2.65 -9.5 0.24 0
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399613 135041244 1 O3H10C13 A3B10C13 -44.3 3.45 -9.59 -1.14 0
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399614 135041245 18 CH AB 63.15 1.13 -8.65 -0.06 0
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399615 135041246 2 O3C7H10 A3B7C10 -237.62 2.0 -10.33 0.42 0
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399616 135041247 1 ON2H11C15 AB2C11D15 79.21 6.59 0.0 0.0 0
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399617 135041255 1 BrFON2H14C15 ABCD2E14F15 -35.42 1.51 -8.43 -0.73 0
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399618 135041271 1 BNCl2H10C13 ABC2D10E13 -16.9 4.83 -8.43 -0.79 0
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399619 135041282 1 O3H12C13 A3B12C13 -97.13 6.13 -10.03 -0.9 0
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399620 135041285 1 O2C17H20 A2B17C20 -51.86 1.8 -9.07 -0.56 0
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399621 135041287 2 OC8H12 AB8C12 -76.52 3.9 -9.27 0.42 0
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399622 135041304 1 NSO2C16H19 ABC2D16E19 2.17 6.7 -9.43 -0.47 0
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399623 135041322 1 NSiO2C13H29 ABC2D13E29 -160.42 2.4 -8.72 1.29 0
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399624 135041331 1 IOH11C16 ABC11D16 56.1 0.69 -8.98 -0.9 0
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399625 135041334 1 OH6C9 AB6C9 77.43 1.45 -8.84 -0.27 0
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399626 135041335 1 NO2H13C15 AB2C13D15 -10.78 1.18 -8.66 -0.77 0
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399627 135041348 1 NOC13H15 ABC13D15 -14.13 5.35 -8.45 0.0 0
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399628 135041352 1 ON2C11H14 AB2C11D14 2.47 0.66 -8.31 -0.17 0
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399629 135041362 2 NOC7H9 ABC7D9 27.78 7.93 -9.36 -1.15 0
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399630 135041364 1 NOSiC16H27 ABCD16E27 -88.2 3.76 -8.89 0.02 0
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399631 135041366 1 ON2C16H22 AB2C16D22 4.97 2.31 -8.86 -0.24 0
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399632 135041391 1 BrC19H19 AB19C19 66.1 2.05 -9.14 -0.35 0
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399633 135041392 1 BrClON3H9C12 ABCD3E9F12 33.4 4.28 -9.47 -0.96 0
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399634 135041395 2 NOC4H8 ABC4D8 -78.09 3.9 -8.65 0.41 0
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399635 135041396 2 OC8H12 AB8C12 -58.02 7.22 -9.0 -0.34 0
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399636 135041398 1 OC19H34 AB19C34 -86.8 1.61 -9.56 1.04 0
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399637 135041399 1 NSF3O3H6C10 ABC3D3E6F10 -209.68 3.73 -9.6 -1.83 0
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399638 135041400 1 O2C17H22 A2B17C22 -77.99 2.15 -9.05 0.23 0
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399639 135041403 2 OC6H10 AB6C10 -99.87 3.18 -9.35 0.56 0
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399640 135041404 2 O2C7H10 A2B7C10 -176.41 4.24 -9.37 0.36 0
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399641 135041406 1 OH14C18 AB14C18 100.0 2.21 -8.95 -0.8 0
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399642 135041411 1 OSiC18H28 ABC18D28 -71.51 1.13 -9.18 0.38 0
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399643 135041419 1 NO3C13H21 AB3C13D21 -164.46 3.28 -9.27 0.84 0
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399644 135041431 1 O4C11H16 A4B11C16 -175.15 4.34 -10.19 0.18 0
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399645 135041455 1 O4C15H20 A4B15C20 -168.21 1.13 -9.43 0.27 0
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399646 135041456 1 SiO4C14H26 AB4C14D26 -206.75 2.98 -8.92 -0.66 0
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399647 135041465 1 SiO2C15H32 AB2C15D32 -166.49 3.76 -9.6 0.55 0
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399648 135041488 1 NSO3C15H19 ABC3D15E19 -76.78 5.81 -9.29 -0.61 0
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399649 135041490 1 BrNO2C14H18 ABC2D14E18 -88.19 1.46 -9.54 -0.36 0
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399650 135041493 1 FO3C15H19 AB3C15D19 -180.32 3.63 -9.47 0.06 0
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399651 135041528 1 BrNH14C17 ABC14D17 60.61 3.65 -8.23 -0.58 0
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399652 135041530 2 O2C7H8 A2B7C8 -58.8 2.08 -9.12 0.23 0
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399653 135041531 1 O4C13H22 A4B13C22 -185.55 1.56 -10.08 -0.62 0
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399654 135041533 1 NSO2C15H15 ABC2D15E15 -41.55 1.18 -9.04 -0.84 0
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399655 135041547 1 FNOH12C16 ABCD12E16 -32.22 5.29 -8.76 -0.6 0
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399656 135041549 1 SiO4C15H28 AB4C15D28 -223.37 2.17 -8.73 -0.87 0
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399657 135041550 1 O5C12H16 A5B12C16 -198.87 2.85 -9.17 0.44 0
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399658 135041561 1 OSiC15H28 ABC15D28 -86.79 1.83 -9.2 0.92 0
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399659 135041565 1 O5C10H14 A5B10C14 -208.14 1.93 -10.47 0.15 0
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399660 135041566 1 SO4C15H22 AB4C15D22 -159.93 6.49 -10.1 -0.78 0
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399661 135041567 1 NO2C16H19 AB2C16D19 -69.08 3.93 -8.36 -0.63 0
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399662 135041568 1 NaSN5O21C26H44 ABC5D21E26F44 -849.2 16.13 -9.76 -1.12 0
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399663 135041569 1 SN5O21C26H45 AB5C21D26E45 -876.75 6.88 -9.94 -0.9 0
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399664 135041570 1 N4O13C18H32 A4B13C18D32 -515.36 4.09 -9.86 -0.37 0
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399665 135041571 1 F2N3O3C7H11 A2B3C3D7E11 -156.7 2.14 -10.33 -0.58 0
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399666 135041574 1 NO3C10H11 AB3C10D11 -71.09 5.73 -9.23 -0.51 0
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399667 135041588 1 N3O4C8H15 A3B4C8D15 -122.46 3.4 -9.98 -0.04 0
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399668 135041604 1 SN4H12C14 AB4C12D14 120.5 4.21 -8.97 -1.11 0
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399669 135041614 1 N2O3H10C13 A2B3C10D13 -29.94 3.54 -8.86 -1.15 0
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399670 135041615 1 NSO3C13H15 ABC3D13E15 -76.2 3.57 -9.24 -1.32 0
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399671 135041618 1 NO3C12H19 AB3C12D19 -108.12 3.64 -8.81 0.09 0
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399672 135041620 1 FON2C15H15 ABC2D15E15 -45.27 3.9 -8.8 -0.36 0
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399673 135041626 1 NSiO2C13H23 ABC2D13E23 -103.14 4.89 -9.19 0.22 0
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399674 135041628 1 NO2S2H9C12 AB2C2D9E12 -7.28 3.43 -9.51 -1.9 0
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399675 135041632 1 OC11H18 AB11C18 -46.45 2.35 -10.07 1.02 1
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399676 135041660 1 ClPO2C8H9 ABC2D8E9 -62.43 2.31 0.0 0.0 0