List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
2422 7426 1 NO2C8H9 AB2C8D9 -1.72 5.99 -9.92 -1.23 0
2423 7455 1 O2C9H10 A2B9C10 -71.64 2.93 -9.77 -0.47 0
2424 7460 2 C5H8 A5B8 -5.71 0.35 -8.63 0.7 0
2425 7466 1 BrOH7C8 ABC7D8 -15.61 2.78 -9.98 -0.96 0
2426 7475 2 NOC3H3 ABC3D3 12.07 8.24 -9.31 -0.96 0
2427 7493 1 NO4H5C7 AB4C5D7 -127.65 2.15 -11.36 -2.09 0
2428 7494 1 NO3C8H9 AB3C8D9 -37.03 4.9 -10.49 -1.44 0
2429 7499 4 C2H3 A2B3 14.57 0.6 -9.39 1.4 0
2430 7508 1 OC7H10 AB7C10 -30.09 3.24 -9.78 0.49 0
2431 7514 1 NC7H15 AB7C15 -23.71 1.61 -8.78 3.23 0
2432 7517 1 NOC6H11 ABC6D11 -24.95 1.75 -9.62 1.02 0
2433 7521 1 NC7H7 AB7C7 48.37 1.68 -9.46 -0.39 0
2434 7522 2 NH2C3 AB2C3 69.23 5.38 -10.62 -1.11 0
2435 7524 2 OC3H6 AB3C6 -105.94 2.87 -9.87 2.13 0
2436 7525 1 NOC6H13 ABC6D13 -49.93 1.74 -8.65 2.14 0
2437 7526 1 ON2C5H10 AB2C5D10 -6.67 4.71 -9.29 0.45 0
2438 7528 3 OC2H4 AB2C4 -151.13 1.4 -10.16 1.48 0
2439 7533 1 NSO3C6H13 ABC3D6E13 -146.04 4.2 -10.36 -0.32 0
2440 7534 1 NO3C17H25 AB3C17D25 -132.66 3.12 -8.75 -0.15 0
2441 7535 1 ClON2C23H41 ABC2D23E41 -21.56 40.29 -5.48 -2.34 0
2443 7540 1 PO3H15C18 AB3C15D18 -79.64 3.34 -9.2 -0.12 0
2444 7544 1 NOC13H13 ABC13D13 6.52 1.93 -8.22 0.01 0
2445 7545 1 ClNH10C12 ABC10D12 38.76 2.69 -8.41 -0.23 0
2446 7547 1 ON2Cl3H9C13 AB2C3D9E13 -18.66 5.78 -9.03 -0.73 0
2447 7548 1 NF3H10C13 AB3C10D13 -113.12 4.09 -8.49 -0.57 0
2448 7550 1 BrN2O2C9H13 AB2C2D9E13 -66.59 5.26 -8.01 -1.31 0
2449 7555 3 NOC4H5 ABC4D5 -19.2 0.19 -10.44 -0.31 0
2450 7557 1 OC10H10 AB10C10 2.71 2.94 -9.67 -0.49 0
2451 7558 1 NC10H21 AB10C21 -38.29 1.62 -8.83 3.17 0
2452 7560 1 ON2C9H12 AB2C9D12 -19.95 4.27 -8.72 0.24 0
2453 7561 2 OC5H8 AB5C8 -100.09 2.02 -10.5 -0.04 0
2454 7563 1 OH12C13 AB12C13 -2.94 1.3 -8.86 0.11 0
2455 7566 1 SN2O2H10C12 AB2C2D10E12 40.39 8.83 -8.94 -1.24 0
2456 7567 1 N2C17H22 A2B17C22 42.87 2.83 -7.92 0.57 0
2457 7568 1 N2O5H8C12 A2B5C8D12 4.71 2.87 -10.31 -1.93 0
2458 7583 1 OH10C12 AB10C12 15.39 1.32 -8.94 -0.03 0
2459 7586 2 O2C6H7 A2B6C7 -74.5 2.79 -8.94 0.23 0
2460 7588 2 NOC9H11 ABC9D11 -34.09 3.55 -8.15 -0.09 0
2461 7590 2 OC5H6 AB5C6 -77.37 1.73 -9.57 0.14 0
2462 7594 1 N3C13H13 A3B13C13 69.14 2.72 -8.66 -0.08 0
2463 7596 1 SN2H12C13 AB2C12D13 68.74 1.74 -8.72 -0.47 0
2464 7600 1 O2C13H18 A2B13C18 -93.06 1.71 -9.56 0.15 0
2465 7603 1 NC9H13 AB9C13 5.12 2.0 -8.13 0.69 0
2466 7626 1 NO2H7C8 AB2C7D8 30.67 5.93 -10.07 -1.49 0
2467 7630 1 NOC9H19 ABC9D19 -79.23 2.26 -8.96 2.76 0
2468 7633 1 O2C13H18 A2B13C18 -100.0 1.58 -9.36 0.38 0
2469 7656 1 NC14H15 AB14C15 48.89 1.39 -9.14 0.28 0
2470 7657 1 OC14H14 AB14C14 6.87 1.59 -9.38 0.09 0
2471 7661 2 OC6H7 AB6C7 -61.66 1.94 -9.25 -0.02 0
2472 7672 1 NOH5C7 ABC5D7 6.13 3.01 -9.65 -0.52 0
2473 7675 1 NOC7H9 ABC7D9 -22.86 3.89 -9.96 -0.25 0
2474 7676 1 O2C7H12 A2B7C12 -86.33 1.14 -9.03 1.22 0
2475 7678 1 OC9H10 AB9C10 -26.77 3.22 -9.54 0.12 0
2476 7681 1 NC9H13 AB9C13 22.24 1.66 -8.77 0.46 0
2477 7682 1 SN2C7H8 AB2C7D8 40.14 2.39 -9.0 -0.43 0
2478 7683 1 BrNOC8H8 ABCD8E8 -26.24 4.88 -8.98 -0.3 0
2479 7685 1 O2C11H14 A2B11C14 -83.08 1.55 -8.93 0.18 0
2480 7688 2 NC11H20 AB11C20 -47.0 2.36 -8.21 0.45 0
2481 7689 1 NO2C24H41 AB2C24D41 -143.08 2.78 -8.46 -0.03 0
2482 7690 1 O3C9H10 A3B9C10 -108.84 5.93 -9.27 -0.34 0
2483 7697 1 ClO3C9H11 AB3C9D11 -120.07 1.09 -9.18 -0.39 0
2484 7705 2 C5H7 A5B7 -0.07 0.64 -9.27 0.46 0
2485 7710 1 O2C9H16 A2B9C16 -119.24 5.11 -10.83 0.86 0
2486 7711 1 O2C9H10 A2B9C10 -66.05 1.57 -9.52 0.23 0
2487 7712 2 OC5H5 AB5C5 -45.05 1.68 -9.25 -0.1 0
2488 7717 1 ClNC17H30 ABC17D30 2.33 22.16 -6.85 -2.84 0
2489 7720 1 OC8H18 AB8C18 -85.22 2.12 -10.28 2.76 0
2490 7724 1 NH7C8 AB7C8 44.69 5.01 -9.78 -0.52 0
2491 7727 1 NC8H17 AB8C17 -31.54 1.72 -8.78 3.34 0
2492 7730 1 BrOC7H7 ABC7D7 -15.27 2.92 -8.98 -0.13 0
2493 7738 2 OC4H5 AB4C5 -65.03 2.54 -8.98 0.07 0
2494 7744 2 NC10H20 AB10C20 -64.13 2.65 -9.09 1.17 0
2495 7745 1 OC6H14 AB6C14 -76.75 2.14 -10.32 2.74 0
2496 7746 1 OC6H10 AB6C10 -10.02 2.02 -10.64 1.14 0
2497 7751 1 ClO2C4H7 AB2C4D7 -105.93 3.1 -10.88 0.15 0
2498 7754 1 OC7H14 AB7C14 -73.48 3.28 -10.04 0.83 0
2499 7756 1 NOC6H13 ABC6D13 -33.89 1.59 -9.59 1.02 0
2500 7765 2 OC3H7 AB3C7 -113.9 0.48 -10.08 2.12 0
2501 7769 2 O3C4H7 A3B4C7 -207.17 0.49 -11.33 -1.61 0
2502 7770 1 O2C7H14 A2B7C14 -118.93 1.93 -10.72 0.88 0
2503 7771 1 OC8H10 AB8C10 -38.44 2.04 -8.6 0.29 0
2504 7776 1 O4C17H32 A4B17C32 -247.74 0.99 -10.75 0.83 0
2505 7777 1 N3C7H19 A3B7C19 -11.03 1.76 -8.83 2.56 0
2506 7779 1 O2C11H18 A2B11C18 -92.93 3.49 -9.29 0.63 0
2507 7785 1 O2C15H28 A2B15C28 -146.47 4.98 -10.61 0.86 0
2508 7786 2 O3C12H23 A3B12C23 -341.88 3.92 -9.86 0.58 0
2509 7791 1 NC16H35 AB16C35 -73.86 1.62 -8.63 3.22 0
2510 7795 1 O2C9H18 A2B9C18 -130.37 1.79 -10.79 0.89 0
2511 7796 2 OC7H12 AB7C12 -115.35 1.78 -9.26 0.91 0
2512 7797 1 O2C9H18 A2B9C18 -129.6 1.76 -10.77 0.86 0
2513 7798 1 O3C8H14 A3B8C14 -156.86 4.92 -10.65 0.2 0
2514 7800 2 OC7H14 AB7C14 -152.89 1.74 -10.78 0.89 0
2515 7801 2 O2H5C6 A2B5C6 -93.7 0.71 -8.77 -1.98 0
2516 7803 2 OC3H6 AB3C6 -114.08 1.64 -10.81 0.87 0
2517 7804 2 BrH2C3 AB2C3 28.12 0.01 -9.7 -0.61 0
2518 7805 1 BrC7H7 AB7C7 15.52 2.56 -9.32 0.0 0
2519 7808 1 BrOH5C6 ABC5D6 -19.18 1.95 -9.21 -0.29 0
2520 7814 2 NC3H4 AB3C4 21.24 3.11 -7.84 0.32 0
2521 7816 2 NC3H7 AB3C7 -12.86 2.48 -8.83 2.9 0
2522 7817 2 NOC2H3 ABC2D3 -80.5 0.02 -10.4 0.48 0