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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9397 89021 1 N2C7H10 A2B7C10 15.23 1.28 -8.76 0.26 0
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9398 89049 2 O3C6H8 A3B6C8 -236.78 2.57 -9.28 0.02 0
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9399 89120 1 NS3O9C12H23 AB3C9D12E23 -365.23 7.56 -8.57 -0.74 0
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9400 89122 1 NOC11H12 ABC11D12 4.05 1.19 0.0 0.0 1
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9401 89131 1 NSP2O6C9H23 ABC2D6E9F23 -417.57 2.96 -9.39 -0.12 0
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9402 89136 1 NP2S2O5C10H25 AB2C2D5E10F25 -389.99 5.38 -9.49 -0.59 0
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9403 89195 1 O3C22H32 A3B22C32 -114.69 1.6 -8.84 1.36 0
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9404 89196 2 O2H4C5 A2B4C5 -127.63 0.47 -10.59 -1.56 0
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9405 89205 2 NSC10H12 ABC10D12 57.73 2.48 -8.08 -0.31 0
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9406 89207 2 NOSC10H12 ABCD10E12 -28.94 6.03 -8.28 -0.71 0
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9407 89270 2 NOC4H7 ABC4D7 -113.82 6.34 -10.15 0.85 0
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9408 89319 1 I2O2S2N4C21H28 A2B2C2D4E21F28 -31.71 12.12 -7.23 -1.95 0
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9409 89325 1 NOCl2C14H19 ABC2D14E19 -68.27 2.9 -8.74 -0.06 0
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9410 89339 1 O4C21H28 A4B21C28 -176.77 5.1 -9.85 -0.44 0
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9411 89378 1 O3C5H10 A3B5C10 -128.98 1.6 -9.78 1.57 0
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9412 89379 2 OC7H14 AB7C14 -152.55 1.81 -10.5 0.96 0
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9413 89383 2 OC6H11 AB6C11 -139.11 2.29 -10.45 0.98 0
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9414 89394 1 NOC7H15 ABC7D15 -63.52 3.53 -8.85 2.55 0
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9415 89398 1 O3C24H34 A3B24C34 -139.22 2.59 -9.03 0.7 0
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9416 89402 1 N3O4C18H23 A3B4C18D23 -149.02 9.82 -9.43 -0.37 0
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9417 89419 1 ClN3C12H18 AB3C12D18 11.88 2.88 -8.91 0.21 0
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9418 89426 1 Br2N2C19H26 A2B2C19D26 35.04 7.86 -8.04 -0.71 0
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9419 89427 1 N2C19H26 A2B19C26 93.9 13.54 -5.91 -0.52 2
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9420 89430 1 OC16H34 AB16C34 -128.14 2.12 -10.28 2.84 0
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9421 89436 2 OC7H15 AB7C15 -156.32 2.06 -10.36 2.14 0
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9422 89445 1 FNC17H18 ABC17D18 11.39 2.95 -8.85 -0.04 0
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9423 89449 1 NOC18H21 ABC18D21 20.69 0.95 -8.65 0.26 0
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9424 89451 1 NCl2C17H17 AB2C17D17 39.36 2.59 -8.97 -0.3 0
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9425 89456 1 NCl2C16H17 AB2C16D17 17.12 4.02 -8.87 -0.21 0
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9426 89457 1 ClNC16H16 ABC16D16 50.22 3.38 -9.14 -0.12 0
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9427 89458 1 ClNC17H20 ABC17D20 15.45 2.1 -9.05 0.0 0
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9428 89461 1 ClFNC17H19 ABCD17E19 -21.88 2.23 -8.99 -0.07 0
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9429 89480 1 O2C15H24 A2B15C24 -108.76 2.86 -9.14 0.92 0
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9430 89486 1 OC10H16 AB10C16 -71.67 3.74 -9.71 0.76 0
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9431 89487 1 OC7H12 AB7C12 -54.14 3.26 -9.59 1.1 0
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9433 89514 1 ClNOC13H20 ABCD13E20 -62.57 1.58 -9.02 -0.06 0
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9434 89523 1 ON2C16H24 AB2C16D24 -34.79 2.06 -8.12 0.46 0
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9435 89524 1 O4H12C15 A4B12C15 -113.98 5.41 -9.85 -0.65 0
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9436 89526 1 ON2C17H26 AB2C17D26 -45.81 3.87 -7.76 0.69 0
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9437 89537 1 O2Cl5C8H9 A2B5C8D9 -115.07 2.64 -10.34 -1.56 0
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9438 89538 1 O2C7H10 A2B7C10 -78.37 5.1 -9.18 -0.13 0
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9439 89540 1 NO2C7H15 AB2C7D15 -105.15 2.03 -9.58 1.89 0
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9440 89571 1 SN3C4H9 AB3C4D9 32.94 1.0 -8.89 -0.36 0
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9441 89573 1 OC14H14 AB14C14 -5.91 0.62 -8.81 0.12 0
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9442 89586 1 BrOH11C14 ABC11D14 13.84 3.23 -9.83 -0.88 0
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9443 89590 2 OC5H6 AB5C6 -61.15 4.13 -9.68 -0.49 0
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9444 89596 1 OC17H34 AB17C34 -82.7 2.47 -10.08 2.16 0
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9445 89597 2 Cl2O2N3H16C18 A2B2C3D16E18 -38.13 4.53 -8.64 -1.74 0
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9446 89611 1 ClON2C21H21 ABC2D21E21 38.43 6.63 -7.98 -0.43 0
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9447 89612 1 O2C17H36 A2B17C36 -162.55 0.43 -9.96 2.15 0
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9448 89617 1 SO3N5C14H19 AB3C5D14E19 -75.86 6.68 -9.13 -1.01 0
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9449 89623 2 ClOH6C10 ABC6D10 -6.04 0.26 -10.0 -1.36 0
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9450 89628 1 N3C11H15 A3B11C15 49.8 1.84 -8.79 0.09 0
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9451 89638 1 H14C15 A14B15 37.88 0.56 -9.08 0.35 0
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9452 89640 2 O5C8H12 A5B8C12 -450.47 5.43 -10.32 -0.52 0
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9454 89654 1 ICl2H5C6 AB2C5D6 38.87 1.58 -9.4 -1.96 0
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9455 89660 1 NO4C17H17 AB4C17D17 -137.86 9.74 -8.92 -1.09 0
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9456 89664 1 OC10H16 AB10C16 -43.03 3.1 -9.53 0.99 0
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9457 89704 1 O2C39H78 A2B39C78 -268.62 1.46 -10.3 0.9 0
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9458 89706 1 OC11H20 AB11C20 -53.13 2.76 -10.1 -0.41 0
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9460 89727 1 O5C11H14 A5B11C14 -180.13 5.78 -9.17 -0.52 0
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9461 89728 1 NO2C4H11 AB2C4D11 -91.64 2.07 -9.57 1.77 0
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9462 89730 1 C11H12 A11B12 20.76 0.85 -8.73 0.16 0
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9463 89756 1 Zr2O7C16H30 A2B7C16D30 -735.09 4.51 -9.49 -0.42 0
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9464 89763 1 N3O3C14H19 A3B3C14D19 -85.17 7.73 -8.15 -0.08 0
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9465 89764 1 ClC5H7 AB5C7 25.96 2.54 -10.38 0.36 0
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9466 89765 1 H4N4O4C7 A4B4C4D7 41.42 4.08 -10.52 -2.2 0
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9467 89767 1 N2O8C25H34 A2B8C25D34 -261.48 8.95 -9.36 -1.08 0
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9468 89776 1 IO4H9C10 AB4C9D10 -128.49 3.44 -9.44 -1.18 0
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9469 89791 1 O2N5C16H19 A2B5C16D19 -22.66 3.89 -9.12 -0.67 0
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9470 89807 1 BrNOH6C7 ABCD6E7 -15.81 4.52 -9.95 -0.71 0
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9471 89808 1 FNO2S2Cl5H7C9 ABC2D2E5F7G9 -120.59 4.6 -9.54 -1.55 0
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9472 89809 1 FNO2S2Cl4H8C9 ABC2D2E4F8G9 -113.02 4.35 -9.45 -1.5 0
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9473 89811 1 NC7H9 AB7C9 28.33 3.72 -9.7 0.84 0
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9474 89815 1 NOSi2C6H19 ABC2D6E19 -97.77 0.98 -8.36 0.46 0