List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
2523 7823 1 O3C6H14 A3B6C14 -157.79 4.2 -10.37 2.02 0
2524 7824 1 O2C7H14 A2B7C14 -116.53 1.84 -10.9 0.8 0
2525 7825 1 NO2C6H7 AB2C6D7 -44.43 5.0 -11.37 -0.71 0
2526 7826 2 OC4H8 AB4C8 -120.8 1.94 -10.85 0.83 0
2527 7829 2 O2C6H11 A2B6C11 -215.47 3.07 -10.86 0.77 0
2528 7830 1 O3C22H42 A3B22C42 -191.0 2.86 -9.88 0.86 0
2529 7832 1 OC8H12 AB8C12 24.64 3.12 -9.96 0.85 0
2530 7836 1 O3C6H8 A3B6C8 -78.25 1.83 -10.4 -0.54 0
2531 7840 1 BrC3H7 AB3C7 -18.2 2.14 -10.48 -0.02 0
2532 7841 1 BrC3H5 AB3C5 9.94 1.73 -10.38 -0.41 0
2533 7842 1 BrC3H3 AB3C3 51.72 1.52 -10.66 -0.65 0
2534 7844 4 CH2 AB2 1.3 0.56 -10.07 1.31 0
2535 7845 2 C2H3 A2B3 28.46 0.0 -9.58 0.25 0
2536 7846 2 C2H3 A2B3 41.16 1.1 -10.62 1.83 0
2537 7847 1 OC3H4 AB3C4 -11.8 3.51 -10.22 -0.56 0
2538 7849 1 BrClC2H4 ABC2D4 -19.3 0.35 -10.9 -0.7 0
2539 7850 1 ClC3H5 AB3C5 -0.06 2.01 -10.51 0.24 0
2540 7851 1 BrNC2H6 ABC2D6 -5.02 2.29 -9.87 -0.1 0
2541 7853 1 NC3H7 AB3C7 14.22 1.84 -9.51 1.11 0
2542 7855 1 NC3H3 AB3C3 45.99 3.63 -11.24 -0.37 0
2543 7857 1 NOC2H3 ABC2D3 -14.23 2.64 -11.47 0.52 0
2544 7859 1 OC3H4 AB3C4 8.47 1.76 -10.7 1.0 0
2545 7860 2 CHO ABC -45.85 0.0 -10.09 -1.37 0
2546 7885 1 SiCl3C5H11 AB3C5D11 -146.42 1.9 -10.53 -0.6 0
2547 7886 1 ClNPO4C5H15 ABCD4E5F15 -279.91 13.24 -10.4 -0.5 0
2548 7887 2 OC5H11 AB5C11 -137.83 2.14 -10.2 2.28 0
2549 7890 1 BrC5H11 AB5C11 -31.48 2.55 -10.33 0.08 0
2550 7896 2 OC2H5 AB2C5 -110.55 0.55 -10.46 2.52 0
2551 7901 1 ClNC4H10 ABC4D10 -17.29 2.76 -9.06 0.87 0
2552 7903 1 NO2C3H7 AB2C3D7 -26.69 4.41 -11.13 -0.5 0
2553 7904 2 OC2H3 AB2C3 -75.27 1.95 -10.11 0.23 0
2554 7906 1 CHgH3 ABC3 27.66 2.05 0.0 0.0 0
2555 7907 1 C7H16 A7B16 -42.53 0.09 -10.9 4.19 0
2556 7908 1 NC6H15 AB6C15 -33.31 1.85 -9.31 3.6 0
2557 7910 1 OC6H14 AB6C14 -82.35 2.09 -10.39 2.96 0
2558 7911 1 N2O2C3H6 A2B2C3D6 -97.12 3.02 -10.57 0.44 0
2559 7912 1 NC6H15 AB6C15 -30.45 1.37 -8.73 3.16 0
2560 7915 1 O2C5H10 A2B5C10 -113.7 2.25 -10.89 0.92 0
2561 7917 1 ClO2C4H7 AB2C4D7 -110.45 3.53 -11.51 -0.57 0
2562 7922 1 O3C4H4 A3B4C4 -123.71 5.38 -11.45 -0.38 0
2563 7927 2 BrH2C3 AB2C3 28.27 1.57 -9.84 -0.57 0
2564 7929 2 C4H5 A4B5 3.99 0.61 -9.05 0.58 0
2565 7931 1 ClC7H7 AB7C7 3.3 2.35 -9.43 0.0 0
2566 7932 1 ClNC6H6 ABC6D6 10.16 3.07 -8.78 0.02 0
2567 7934 1 NC7H9 AB7C9 10.68 1.61 -8.39 0.59 0
2568 7935 2 NC3H4 AB3C4 16.77 2.64 -8.21 0.68 0
2569 7936 1 NC7H9 AB7C9 12.32 2.58 -9.68 0.13 0
2570 7940 1 O3C5H6 A3B5C6 -130.1 6.52 -11.26 -0.22 0
2571 7941 10 CH AB 51.76 0.08 -9.08 -0.12 0
2572 7942 2 O2C5H5 A2B5C5 -152.27 3.99 -9.37 -0.15 0
2573 7943 1 O4C5H8 A4B5C8 -176.39 2.64 -11.33 0.22 0
2574 7944 1 OCl2C6H12 AB2C6D12 -87.2 3.33 -10.28 0.58 0
2575 7949 1 NC8H11 AB8C11 -0.14 1.34 -8.34 0.74 0
2576 7951 1 N2C7H10 A2B7C10 5.41 0.47 -8.22 0.84 0
2577 7954 3 CClN ABC 50.87 0.0 -11.45 -1.76 0
2578 7961 1 BrH5C6 AB5C6 25.65 1.78 -9.65 -0.15 0
2579 7962 7 CH2 AB2 -32.71 0.05 -10.61 4.25 0
2580 7969 1 SC6H6 AB6C6 24.09 1.45 -8.72 -0.02 0
2581 7970 1 NC6H7 AB6C7 24.4 2.83 -9.7 -0.03 0
2582 7971 1 NOC5H5 ABC5D5 -8.55 3.53 -9.46 -0.32 0
2583 7972 1 NOC5H11 ABC5D11 -45.03 1.76 -8.69 2.14 0
2584 7973 1 BrNH4C5 ABC4D5 28.06 3.25 -9.99 -0.59 0
2585 7975 1 NC6H7 AB6C7 23.35 1.86 -9.73 0.01 0
2586 7977 1 ClNH4C5 ABC4D5 26.54 3.38 -9.98 -0.57 0
2587 7978 1 N3C4H5 A3B4C5 41.25 0.52 -9.29 -0.18 0
2588 7979 2 O3C7H11 A3B7C11 -240.82 2.57 -9.87 -0.2 0
2589 7984 2 OC8H15 AB8C15 -153.53 2.25 -10.63 0.85 0
2590 7987 2 O3C7H13 A3B7C13 -294.52 5.32 -9.81 0.5 0
2591 7989 1 OC6H10 AB6C10 -40.46 3.25 -10.1 0.67 0
2592 7990 1 OC6H10 AB6C10 -16.49 2.76 -10.32 1.34 0
2593 7991 1 O2C5H10 A2B5C10 -108.79 4.76 -11.07 0.62 0
2594 8002 1 BrC4H9 AB4C9 -23.11 2.14 -10.48 -0.03 0
2595 8004 5 CH2 AB2 -3.86 0.59 -10.05 1.3 0
2596 8005 1 ClC4H9 AB4C9 -33.85 2.36 -10.61 0.89 0
2597 8010 1 H2N2C3 A2B2C3 59.86 3.71 -13.11 0.36 0
2598 8011 1 NOC3H5 ABC3D5 -23.28 2.76 -11.21 0.98 0
2599 8014 1 N2C3H10 A2B3C10 -1.46 0.34 -9.01 3.05 0
2600 8019 1 O2C3H8 A2B3C8 -92.56 2.45 -10.01 1.9 0
2601 8026 1 NC2O2H5 AB2C2D5 -23.66 2.87 -10.06 -0.54 0
2602 8030 1 SC4H4 AB4C4 30.6 0.5 -9.05 -0.1 0
2603 8032 2 CSH3O3 ABC3D3 -256.1 4.84 -11.97 -0.53 0
2604 8033 2 OC4H9 AB4C9 -69.24 1.09 -8.88 0.69 0
2605 8036 2 NOC2H4 ABC2D4 -103.33 4.98 -10.25 0.58 0
2606 8062 2 NC2H2 AB2C2 50.88 0.01 -12.75 0.54 0
2607 8064 2 OC2H5 AB2C5 -107.25 2.41 -10.51 2.68 0
2608 8065 2 OC2H4 AB2C4 -82.57 1.43 -10.33 0.46 0
2609 8066 2 OC2H3 AB2C3 -39.97 0.27 -10.73 0.73 0
2610 8068 1 NC5H13 AB5C13 -18.97 1.69 -8.9 3.08 0
2611 8069 1 NOC4H9 ABC4D9 -16.85 1.22 -9.97 0.78 0
2612 8070 2 NC2H6 AB2C6 -2.02 0.04 -9.01 2.68 0
2613 8071 2 OC2H5 AB2C5 -87.04 0.03 -9.86 1.56 0
2614 8072 1 NOC4H11 ABC4D11 -56.25 3.54 -9.24 2.64 0
2615 8073 2 OC2H4 AB2C4 -97.32 1.73 -11.06 0.5 0
2616 8074 1 ClOC4H7 ABC4D7 -41.61 1.02 -9.67 0.31 0
2617 8075 1 OSC4H10 ABC4D10 -60.13 2.93 -8.83 0.53 0
2618 8076 2 OC2H5 AB2C5 -98.85 2.85 -10.0 1.86 0
2619 8077 2 SC2H5 AB2C5 -19.32 2.39 -8.79 -0.81 0
2620 8078 6 CH2 AB2 -27.51 0.0 -10.78 4.24 0
2621 8079 2 C3H5 A3B5 -4.02 0.37 -9.4 1.52 0
2622 8080 1 OC5H8 AB5C8 -36.81 1.48 -8.91 1.32 0