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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11530 117275 1 OC12H18 AB12C18 -54.59 1.75 -9.44 0.25 0
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11531 117288 1 OC15H24 AB15C24 -63.11 3.56 -9.59 0.86 0
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11532 117300 2 NC3H7 AB3C7 -5.74 1.66 -8.45 2.97 0
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11533 117309 2 OC13H25 AB13C25 -185.51 1.98 -9.53 0.9 0
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11534 117321 1 NO3H23C28 AB3C23D28 -28.73 5.42 -8.46 -0.73 0
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11535 117324 1 NO2C9H11 AB2C9D11 -61.69 2.46 -9.71 -0.14 0
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11536 117338 1 NOC8H15 ABC8D15 -64.42 1.87 -9.72 1.39 0
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11537 117371 2 ClNOC10H14 ABCD10E14 -116.16 2.58 -8.2 -0.24 0
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11538 117372 2 NOC10H13 ABC10D13 -41.26 5.51 -8.09 0.16 0
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11539 117386 1 O5C8H16 A5B8C16 -225.23 2.72 -9.67 -0.02 0
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11540 117387 1 N3O3C14H17 A3B3C14D17 -14.18 7.8 -8.54 -1.4 0
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11541 117390 1 S2N3O6C17H17 A2B3C6D17E17 -144.08 0.83 -8.56 -1.71 0
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11542 117392 1 N3C18H29 A3B18C29 11.6 2.47 -7.85 0.62 0
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11543 117394 1 N3C20H25 A3B20C25 46.54 1.68 -8.23 0.43 0
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11544 117396 1 NO2C22H29 AB2C22D29 -69.45 1.99 -8.8 0.04 0
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11545 117398 1 NO4C25H31 AB4C25D31 -152.37 2.05 -8.68 0.03 0
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11546 117406 1 OSiC11H16 ABC11D16 -65.44 0.95 -9.26 -0.1 0
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11547 117416 2 OSCl2H2C8 ABC2D2E8 -15.5 0.01 -8.8 -2.09 0
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11548 117420 1 MgC12O12H14 AB12C12D14 -517.63 1.76 -9.54 -1.84 0
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11549 117425 2 O2C7H8 A2B7C8 -155.99 3.69 -10.36 -0.83 0
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11550 117429 1 NNaSO4H8C10 ABCD4E8F10 -166.73 5.83 -8.26 -0.47 0
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11551 117435 1 ClN4C13H13 AB4C13D13 72.73 5.83 -9.82 -0.96 0
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11552 117441 1 NPH2 ABC2 84.66 5.62 -9.34 -0.12 0
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11553 117453 1 ClO2H13C18 AB2C13D18 -3.67 3.91 -9.13 -0.42 0
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11554 117463 1 NO3C17H19 AB3C17D19 -86.76 3.1 -9.41 0.03 0
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11555 117466 2 NO2C6H11 AB2C6D11 -189.08 2.64 -10.16 0.37 0
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11556 117492 2 NO2C6H12 AB2C6D12 -219.79 2.82 -10.55 0.74 0
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11557 117503 2 NO2C4H7 AB2C4D7 -182.14 2.53 -10.1 0.2 0
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11558 117523 1 PS2O4C6H15 AB2C4D6E15 -236.38 3.31 -8.63 0.12 0
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11559 117575 2 OC15H20 AB15C20 -102.88 3.99 -9.34 -1.11 0
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11560 117604 1 O2C11H14 A2B11C14 -76.88 1.57 -9.59 0.22 0
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11561 117627 1 LaN AB -53.68 4.12 -5.99 4.41 0
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11562 117705 1 BrO6C16H17 AB6C16D17 -220.71 4.38 -8.94 -0.89 0
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11563 117723 1 N2O4C22H29 A2B4C22D29 -93.62 20.07 0.0 0.0 1
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11564 117728 1 N2O4C30H45 A2B4C30D45 -146.48 5.39 0.0 0.0 1
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11565 117734 3 NSiO4C7H15 ABC4D7E15 -797.11 2.27 -9.58 -0.06 0
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11566 117743 1 N2C7H12 A2B7C12 17.68 4.22 -9.23 1.31 0
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11567 117745 2 NOC3H5 ABC3D5 -10.12 9.17 -9.13 -0.23 0
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11568 117759 1 NH13C14 AB13C14 49.7 1.53 -8.31 0.28 0
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11569 117764 1 ClSN7O10C29H32 ABC7D10E29F32 -199.7 13.91 -8.72 -1.39 0
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11570 117792 1 OSSnC4H11 ABCD4E11 31.52 5.45 0.0 0.0 -1
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11571 117801 1 N2C5O6H10 A2B5C6D10 -85.93 3.27 -11.8 -1.28 0
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11572 117805 1 NC10H15 AB10C15 20.6 4.27 -9.3 0.88 0
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11573 117834 1 NSO8C17H29 ABC8D17E29 -364.83 7.31 -9.71 -1.39 0
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11574 117864 1 PO4C14H23 AB4C14D23 -255.07 3.64 -9.24 0.01 0
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11575 117869 1 NOC10H13 ABC10D13 -36.67 4.25 -9.54 -0.12 0
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11576 117883 1 N3O4H12C17 A3B4C12D17 79.02 9.16 0.0 0.0 1
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11577 117931 1 ON2C18H18 AB2C18D18 26.63 3.14 -8.38 -0.9 0
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11579 117934 1 N3O5C42H67 A3B5C42D67 -215.06 3.39 -8.04 0.3 0
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11580 117935 1 O4C9H16 A4B9C16 -193.16 2.46 -10.79 0.55 0