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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
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383003 134974484 1 BrO3C10H15 AB3C10D15 -123.95 2.45 -10.18 -0.8 0
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383004 134974486 1 NO2C9H17 AB2C9D17 -112.5 1.3 -9.23 0.83 1
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383005 134974488 1 SiN2O3C41H57 AB2C3D41E57 -158.21 2.25 0.0 0.0 0
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383006 134974492 1 O2C15H24 A2B15C24 -102.8 1.87 -9.46 0.87 2
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383009 134974495 1 NO3C9H11 AB3C9D11 -111.32 5.32 -8.57 -0.1 0
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383010 134974496 1 OSCl2H10C13 ABC2D10E13 0.93 1.33 -9.1 -1.46 0
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383011 134974497 1 N10O11C36H60 A10B11C36D60 -492.35 13.93 -9.01 0.09 0
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383012 134974499 1 N4O7C20H30 A4B7C20D30 -287.35 11.0 -8.7 0.45 0
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383013 134974500 3 NOC5H7 ABC5D7 -100.32 2.63 -8.87 0.0 0
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383014 134974501 1 NO2C14H17 AB2C14D17 -54.2 3.13 -9.61 0.13 0
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383015 134974502 1 SiO4C16H28 AB4C16D28 -235.35 0.77 -9.02 0.12 0
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383016 134974504 1 OBr2N5C12H13 AB2C5D12E13 62.11 2.17 -8.29 -0.65 0
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383017 134974505 1 NO2H9C16 AB2C9D16 8.7 7.32 -9.24 -1.63 0
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383018 134974506 1 IN2O2C17H29 AB2C2D17E29 -79.3 3.39 -8.96 -0.95 0
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383019 134974508 1 NO8C25H33 AB8C25D33 -216.65 6.36 -8.79 -1.5 0
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383020 134974509 1 NO6C21H25 AB6C21D25 -134.2 3.48 -8.8 -1.56 1
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383021 134974510 1 NO8C38H42 AB8C38D42 -169.33 4.5 0.0 0.0 0
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383022 134974512 1 N2O2H10C13 A2B2C10D13 -5.83 3.66 -8.91 -0.87 0
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383023 134974513 2 ON2H7C10 AB2C7D10 54.55 0.82 -8.62 -1.36 0
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383024 134974514 1 NO3C17H21 AB3C17D21 -98.65 3.65 -8.51 0.06 1
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383025 134974515 1 NO3C17H18 AB3C17D18 -66.14 2.7 0.0 0.0 0
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383026 134974516 2 O2C8H11 A2B8C11 -140.99 1.12 -8.76 0.22 0
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383027 134974517 2 OC5H9 AB5C9 -77.03 3.49 -9.65 1.67 0
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383028 134974518 1 SN5O6C34H43 AB5C6D34E43 -206.27 4.46 -8.8 -0.37 0
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383029 134974519 1 SN4O5C31H38 AB4C5D31E38 -157.48 2.3 -8.72 -0.35 0
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383030 134974520 1 N5O6C31H37 A5B6C31D37 -195.72 5.44 -8.9 -0.45 0
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383031 134974521 1 O2C15H24 A2B15C24 -94.68 5.77 -9.67 -0.12 0
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383032 134974522 1 N3O5C11H17 A3B5C11D17 -175.86 3.41 -9.91 -0.05 0
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383033 134974523 1 N3O3C15H19 A3B3C15D19 -67.14 4.21 -9.14 -0.46 0
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383034 134974526 1 NSO4C20H25 ABC4D20E25 -140.84 8.71 -9.57 -0.55 0
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383035 134974527 1 NSO4C20H25 ABC4D20E25 -136.91 5.35 -9.21 -0.61 0
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383036 134974528 1 NO3C15H21 AB3C15D21 -130.61 5.63 -9.11 -0.14 0
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383037 134974529 1 OC9H18 AB9C18 -61.76 1.86 -9.94 2.4 0
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383038 134974533 1 OSN2H14C17 ABC2D14E17 51.17 3.16 -8.86 -1.32 0
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383039 134974535 1 NSO2C19H21 ABC2D19E21 -10.38 4.24 -7.41 -0.52 0
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383040 134974537 1 N5O14C40H47 A5B14C40D47 -544.82 5.68 -8.87 -0.42 0
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383041 134974539 1 N5O12C39H47 A5B12C39D47 -463.24 6.31 -8.86 -0.41 1
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383042 134974540 1 NOH28C34 ABC28D34 111.82 1.97 0.0 0.0 0
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383043 134974541 1 NOH27C34 ABC27D34 119.3 3.59 -9.16 -0.22 1
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383044 134974542 1 NOH28C34 ABC28D34 101.02 1.76 0.0 0.0 0
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383045 134974543 1 NOH27C34 ABC27D34 108.07 1.51 -8.47 -0.02 0
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383046 134974544 1 ON2H16C17 AB2C16D17 7.84 3.88 -8.67 -0.64 0
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383047 134974545 1 NSO2C10H17 ABC2D10E17 -91.11 4.41 -8.66 0.08 0
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383048 134974547 1 NSO4C19H31 ABC4D19E31 -201.5 8.91 -8.99 -0.37 -1
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383049 134974548 1 NOYC15H22 ABCD15E22 -14.03 6.27 -4.86 0.12 0
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383050 134974549 1 NO8C21H33 AB8C21D33 -353.7 7.43 -8.94 0.2 0
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383051 134974550 1 NO5C15H21 AB5C15D21 -160.92 4.24 -9.16 -0.14 0
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383052 134974554 1 ClION3H11C15 ABCD3E11F15 44.2 1.51 -9.64 -1.39 0
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383053 134974555 1 NO2C15H17 AB2C15D17 -36.94 1.63 -9.44 -0.31 0
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383054 134974556 1 C19H28 A19B28 -25.81 1.16 -8.92 0.58 0