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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3443 9662 1 ClHC2F2 ABC2D2 -83.81 1.43 -10.46 -0.21 0
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3444 9663 1 ClFOC2H2 ABCD2E2 -96.24 2.5 -11.46 -0.66 0
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3445 9664 1 ClHC2F2 ABC2D2 -89.1 1.0 -10.27 -0.22 0
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3446 9666 1 FC2H2Cl3 AB2C2D3 -75.6 2.28 -11.24 -0.4 0
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3447 9667 2 CHF2 ABC2 -206.08 2.52 -13.21 1.46 0
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3448 9668 2 CFO ABC -157.82 0.0 -11.92 -2.04 0
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3449 9669 1 NOC19H27 ABC19D27 -40.35 3.88 -8.44 0.37 0
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3450 9670 1 FINOC15H23 ABCDE15F23 -67.34 11.92 -7.44 -0.34 0
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3451 9671 1 FNOC15H23 ABCD15E23 -40.98 1.27 0.0 0.0 1
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3452 9672 1 OH3C5F7 AB3C5D7 -400.16 6.35 -11.2 -1.02 0
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3453 9674 1 OH5C6F7 AB5C6D7 -408.37 6.97 -11.07 -0.89 0
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3454 9676 1 NO2C21H31 AB2C21D31 -80.75 3.46 -9.8 0.26 0
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3455 9677 1 O3C28H44 A3B28C44 -200.5 4.79 -9.78 0.04 0
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3456 9678 4 CF2 AB2 -387.73 1.01 -12.24 -1.66 0
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3457 9683 1 ClSN2C18H22 ABC2D18E22 64.59 2.89 0.0 0.0 1
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3458 9684 3 OC6H8 AB6C8 -146.55 4.1 -8.48 0.06 0
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3459 9685 1 O3C18H22 A3B18C22 -134.42 5.55 -8.53 0.0 0
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3460 9687 1 PN5O8C18H24 AB5C8D18E24 -355.6 5.74 -9.51 -1.05 0
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3461 9688 2 OH4C6 AB4C6 -3.4 1.48 -9.76 -2.02 0
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3462 9689 1 ON2H12C15 AB2C12D15 57.7 6.58 -8.96 -1.46 0
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3463 9690 1 NOF3H10C15 ABC3D10E15 -145.93 3.47 -8.8 -0.89 0
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3464 9691 1 O5C20H32 A5B20C32 -244.58 3.64 -9.8 0.56 0
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3465 9692 1 ON2C9H12 AB2C9D12 -21.03 1.8 -8.6 -0.38 0
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3466 9693 1 ClNO2C14H26 ABC2D14E26 -123.43 10.59 -8.96 -0.29 0
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3467 9694 1 NOC14H24 ABC14D24 -12.38 1.52 0.0 0.0 1
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3468 9695 1 NO2H13C15 AB2C13D15 -50.23 3.11 -8.19 -0.31 0
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3469 9696 1 HF5C6 AB5C6 -197.93 1.24 -10.58 -1.26 0
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3470 9697 2 FNOH2C3 ABCD2E3 -75.94 4.18 -9.41 -1.67 0
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3471 9698 2 OC15H26 AB15C26 -184.3 3.28 -7.92 0.49 0
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3472 9699 1 FNOC6H12 ABCD6E12 -106.91 4.25 -9.57 0.87 0
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3473 9700 1 PN2O8C10H15 AB2C8D10E15 -416.28 4.46 -9.61 -0.5 0
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3474 9701 1 NO2C10H15 AB2C10D15 -76.58 1.6 -8.99 0.0 0
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3475 9702 2 NC8H10 AB8C10 47.24 1.23 -7.72 0.35 0
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3476 9703 1 ClON3C12H20 ABC3D12E20 -54.52 4.43 -8.6 -0.37 0
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3477 9704 2 NCl2C11H15 AB2C11D15 -55.31 2.81 -9.16 -0.1 0
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3478 9705 2 ClNC11H14 ABC11D14 7.21 1.63 -8.84 -0.08 0
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3479 9706 2 FH2C3 AB2C3 -68.3 2.58 -9.97 -0.37 0
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3480 9707 1 FOH5C6 ABC5D6 -65.38 0.96 -9.29 -0.17 0
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3481 9708 1 ClFNH5C6 ABCD5E6 -34.73 3.97 -8.84 -0.36 0
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3482 9709 1 NF2H5C6 AB2C5D6 -70.71 2.74 -8.82 -0.34 0
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3483 9711 1 SO5C9H18 AB5C9D18 -246.0 1.07 -9.05 0.18 0
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3484 9712 1 SiF3H5C6 AB3C5D6 -262.07 2.2 -9.85 -0.39 0
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3485 9713 1 N3C4F5 A3B4C5 -173.32 0.87 -12.2 -2.48 0
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3486 9714 1 F3N5H8C10 A3B5C8D10 -77.72 5.37 -9.22 -1.02 0
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3487 9715 3 NC2F3 AB2C3 -395.0 0.12 -12.4 -2.85 0
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3488 9716 1 AsF2H5C6 AB2C5D6 -80.03 3.83 -9.83 -0.48 0
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3490 9718 1 N2H5C6 A2B5C6 80.84 3.44 0.0 0.0 1
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3491 9719 1 OCl2N2F3H9C14 AB2C2D3E9F14 -173.92 7.44 -9.13 -1.07 0
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3492 9720 1 N2O2F3H9C13 A2B2C3D9E13 -120.32 8.58 -9.26 -1.39 0
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3493 9721 1 FOSH7C8 ABCD7E8 -60.66 0.28 -9.15 -0.47 0