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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382952 134974400 2 OC5H9 AB5C9 -76.74 2.76 -9.62 1.86 0
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382953 134974402 4 OC10H13 AB10C13 -128.24 3.17 -8.14 0.48 0
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382954 134974404 1 NO2C13H21 AB2C13D21 -103.28 9.05 -8.83 0.26 0
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382955 134974406 1 NO3C6H13 AB3C6D13 -145.77 3.0 -9.57 1.64 1
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382956 134974407 1 ON3C6H10 AB3C6D10 42.1 9.15 0.0 0.0 0
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382957 134974408 1 ON3C6H9 AB3C6D9 20.67 1.76 -8.38 0.02 0
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382958 134974409 1 NPO4C11H18 ABC4D11E18 -223.4 2.53 -8.95 0.05 0
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382959 134974410 24 CH AB 70.56 0.13 -9.26 0.4 0
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382960 134974412 2 NO4H23C24 AB4C23D24 -33.84 4.72 -7.84 -1.52 0
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382961 134974415 1 ClNO2H12C14 ABC2D12E14 14.75 1.68 -8.93 -0.78 0
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382962 134974417 1 NO2H17C25 AB2C17D25 88.29 7.52 -8.34 -1.84 1
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382963 134974418 1 NO2H18C25 AB2C18D25 68.44 3.7 0.0 0.0 1
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382964 134974419 1 NO2H18C25 AB2C18D25 54.64 5.64 0.0 0.0 0
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382965 134974420 1 N2O3C20H24 A2B3C20D24 -82.93 1.34 -8.21 0.07 0
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382966 134974424 1 NSO3H15C17 ABC3D15E17 -26.16 6.54 -7.77 -0.78 0
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382968 134974426 1 NSO2C18H19 ABC2D18E19 -4.09 4.77 -7.45 -0.55 0
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382969 134974427 1 SN4O19C51H64 AB4C19D51E64 -790.99 6.14 -8.76 -0.31 0
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382970 134974428 1 SN4O7C36H46 AB4C7D36E46 -263.31 2.83 -8.79 -0.47 0
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382971 134974429 1 N3O7C13H19 A3B7C13D19 -254.75 3.65 -10.16 -0.06 0
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382972 134974430 1 O4C17H30 A4B17C30 -188.5 3.55 -9.74 -0.01 0
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382973 134974431 1 O3C11H20 A3B11C20 -129.8 3.54 -9.97 -0.32 0
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382974 134974432 1 PSnF3O3C19H38 ABC3D3E19F38 -388.4 2.48 -9.64 -0.27 0
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382975 134974433 1 ClNO2C7H14 ABC2D7E14 -151.26 9.14 -10.8 0.67 0
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382976 134974434 1 O2N3F6C16H19 A2B3C6D16E19 -384.05 11.95 -8.98 -0.74 0
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382977 134974438 1 BrNO3H14C17 ABC3D14E17 -52.58 2.44 -8.14 -0.93 0
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382978 134974439 1 BrNO4H16C18 ABC4D16E18 -88.51 3.79 -8.49 -0.96 0
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382979 134974440 1 BrNO2H14C17 ABC2D14E17 -24.4 5.88 -8.1 -0.89 0
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382980 134974441 1 BrNO3H16C18 ABC3D16E18 -63.96 3.66 -8.06 -0.82 1
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382981 134974442 1 N2O4C20H23 A2B4C20D23 -98.37 3.09 0.0 0.0 0
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382982 134974443 1 NO3C16H23 AB3C16D23 -134.49 4.14 -8.88 -0.25 1
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382983 134974444 1 N3C11H12 A3B11C12 116.38 8.51 0.0 0.0 0
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382984 134974445 1 N3C11H11 A3B11C11 90.82 3.08 -8.17 -0.44 0
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382985 134974449 1 NO6H45C48 AB6C45D48 -33.8 2.45 -7.9 -0.48 0
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382986 134974450 1 NO5H11C15 AB5C11D15 -71.45 7.86 -9.38 -1.9 0
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382987 134974457 2 NOC5H6 ABC5D6 -63.42 5.0 -8.62 -0.05 0
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382988 134974458 1 OSN3H15C17 ABC3D15E17 53.73 3.1 -8.85 -1.31 0
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382989 134974459 2 OC7H13 AB7C13 -55.17 2.54 -9.41 0.5 0
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382990 134974460 1 N2O2S2C15H18 A2B2C2D15E18 -20.55 4.17 -8.85 -0.93 0
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382991 134974463 1 N3O4H21C26 A3B4C21D26 21.36 8.23 -7.99 -1.2 0
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382992 134974465 4 IOC10H12 ABC10D12 -26.5 3.06 -8.66 -0.81 0
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382993 134974467 1 OF2H14C17 AB2C14D17 -91.96 4.11 -9.53 -0.22 0
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382994 134974468 1 O4H22C25 A4B22C25 -75.45 2.86 -9.52 -0.29 0
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382995 134974469 1 O4H22C25 A4B22C25 -80.22 2.32 -9.25 -0.77 -1
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382996 134974470 1 O4H21C25 A4B21C25 -66.22 3.83 0.0 0.0 0
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382997 134974476 1 O4C9H16 A4B9C16 -205.09 3.42 -9.99 1.46 0
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382998 134974478 1 BrSi2O4N5C29H46 AB2C4D5E29F46 -227.86 3.48 -8.69 -0.43 0
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382999 134974479 1 ON2C10H16 AB2C10D16 17.88 3.07 -8.99 1.48 -3
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383000 134974480 3 O2C8H11 A2B8C11 -250.49 3.3 0.0 0.0 0
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383001 134974481 6 OC4H6 AB4C6 -268.35 2.39 -8.25 0.98 0
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383002 134974482 3 BrO2C15H15 AB2C15D15 -219.4 5.41 -9.19 -0.26 0