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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
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3494 9722 1 NO2F3H8C9 AB2C3D8E9 -224.68 3.05 -9.29 -0.31 0
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3495 9723 2 ON2C7H11 AB2C7D11 -49.88 0.27 -9.36 -0.41 0
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3496 9724 1 BrNOC11H18 ABCD11E18 -27.52 10.41 -8.18 -0.08 0
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3497 9725 1 NOC11H18 ABC11D18 7.52 1.8 0.0 0.0 1
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3498 9726 1 FN2O3H7C8 AB2C3D7E8 -73.22 7.06 -9.91 -1.46 0
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3499 9727 1 NOC9H13 ABC9D13 -26.75 3.06 -8.65 0.37 0
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3500 9728 1 FO2C6H9 AB2C6D9 -131.75 0.58 -10.92 -0.39 0
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3501 9729 1 ClFO2C6H10 ABC2D6E10 -164.38 2.56 -10.73 0.51 0
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3502 9730 2 FOC3H5 ABC3D5 -202.42 0.98 -11.18 0.52 0
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3503 9731 1 FNC6H6 ABC6D6 -25.81 2.99 -8.62 -0.03 0
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3504 9732 1 FOH5C6 ABC5D6 -67.89 1.8 -9.22 -0.31 0
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3505 9733 1 FNOC6H12 ABCD6E12 -113.38 2.71 -9.94 0.85 0
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3506 9734 2 HNaC2O2 ABC2D2 -244.94 0.91 -9.18 0.02 0
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3507 9735 1 FNaO2C6H10 ABC2D6E10 -197.67 7.2 -9.61 0.37 0
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3508 9736 1 FO2C6H11 AB2C6D11 -158.8 3.99 -11.05 0.57 0
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3509 9737 1 FOC2H5 ABC2D5 -100.27 1.37 -10.95 2.01 0
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3510 9738 1 FOPN2C6H16 ABCD2E6F16 -194.72 5.4 -9.84 1.09 0
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3511 9739 1 ClFSO2C4H8 ABCD2E4F8 -151.97 5.96 -11.65 -1.08 0
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3512 9740 1 NO2C3H3 AB2C3D3 -56.42 3.06 -11.76 -0.13 0
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3513 9741 2 FH2C3 AB2C3 -72.46 1.58 -10.09 -0.4 0
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3514 9742 1 FNC6H6 ABC6D6 -28.5 2.95 -8.78 0.16 0
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3515 9744 1 FO3C6H9 AB3C6D9 -184.45 2.8 -10.84 -0.17 0
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3516 9745 3 FHC2 ABC2 -120.16 0.0 -10.52 -0.65 0
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3517 9746 1 FNH4C5 ABC4D5 -12.09 3.48 -10.32 -0.53 0
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3518 9747 1 ClFSO2C6H12 ABCD2E6F12 -162.77 5.75 -11.69 -1.11 0
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3519 9748 1 SF2O2C6H12 AB2C2D6E12 -206.57 5.81 -11.8 0.0 0
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3520 9749 1 FNO3C6H10 ABC3D6E10 -186.54 2.5 -10.33 0.32 0
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3521 9750 1 N3O3C6H13 A3B3C6D13 -145.65 3.56 -10.21 0.68 0
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3522 9751 2 FO2C3H4 AB2C3D4 -268.34 3.22 -11.23 0.12 0
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3523 9752 1 FNO2C4H8 ABC2D4E8 -76.09 4.62 -11.13 -0.52 0
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3524 9753 2 FC2H4 AB2C4 -116.71 0.02 -11.94 3.12 0
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3525 9754 1 FIC4H8 ABC4D8 -53.71 2.41 -9.83 -0.86 0
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3526 9755 1 FOC4H9 ABC4D9 -111.78 1.49 -10.6 2.61 0
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3527 9756 1 NiC4O4H6 AB4C4D6 -159.99 8.95 -9.42 -1.27 0
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3528 9757 1 FNOC6H12 ABCD6E12 -117.49 2.35 -9.87 1.17 0
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3529 9758 1 FO2C6H11 AB2C6D11 -160.22 2.9 -11.05 0.72 0
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3530 9759 1 FOSC6H11 ABCD6E11 -112.12 1.39 -9.44 0.1 0
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3531 9760 1 FC6H13 AB6C13 -81.35 1.78 -11.18 3.27 0
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3532 9761 1 FC6H11 AB6C11 -54.08 1.58 -10.15 1.21 0
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3533 9762 1 FC6H9 AB6C9 -14.07 0.72 -10.74 1.7 0
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3534 9763 1 FO2C4H9 AB2C4D9 -144.5 2.09 -10.26 1.64 0
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3535 9764 1 FO2C14H27 AB2C14D27 -199.12 2.82 -10.74 0.89 0
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3536 9767 1 FNC6H10 ABC6D10 -44.17 3.39 -11.85 1.25 0
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3537 9768 1 FOC6H13 ABC6D13 -120.42 1.59 -10.5 2.52 0
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3538 9769 1 FOC6H11 ABC6D11 -101.86 2.41 -10.15 0.36 0
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3539 9770 1 FOC6H13 ABC6D13 -112.48 1.54 -9.76 2.15 0
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3540 9771 1 FO3C6H13 AB3C6D13 -183.73 0.93 -10.24 1.01 0
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3541 9772 1 ClNC2F3H5 ABC2D3E5 -197.75 5.47 -10.09 1.57 0
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3542 9773 1 NC2F3H4 AB2C3D4 -164.29 4.02 -10.25 1.49 0
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3543 9774 1 OC3F3H5 AB3C3D5 -219.77 2.99 -11.47 1.27 0