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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3950 10485 1 BrC4H9 AB4C9 -31.68 3.11 -10.24 0.14 0
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3951 10486 1 ClC4H9 AB4C9 -45.03 2.98 -10.5 1.07 0
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3952 10487 1 CI4 AB4 82.06 0.0 -9.72 -2.32 0
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3953 10488 1 NO8C11H25 AB8C11D25 -379.91 15.74 -9.68 -0.52 0
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3954 10490 1 O7C26H34 A7B26C34 -318.13 3.56 -9.66 -0.94 0
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3955 10494 3 OC10H16 AB10C16 -210.79 6.36 -9.56 0.87 0
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3956 10496 2 O2H4C5 A2B4C5 -100.81 8.55 -10.91 -1.12 0
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3957 10497 1 O8C23H34 A8B23C34 -382.32 4.16 -10.14 -0.68 0
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3958 10498 1 NO4C18H19 AB4C18D19 -81.91 7.31 -8.57 -0.46 0
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3959 10499 1 O4C15H18 A4B15C18 -133.42 9.75 -9.99 -0.48 0
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3960 10500 1 NO8C27H43 AB8C27D43 -229.01 12.96 -6.38 -0.37 0
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3961 10501 1 O11C29H42 A11B29C42 -507.25 8.09 -9.83 -0.35 0
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3962 10502 1 O10C29H42 A10B29C42 -451.26 11.58 -9.67 -0.05 0
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3963 10503 1 O9C29H42 A9B29C42 -419.93 6.19 -9.79 -0.78 0
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3964 10504 1 O9C30H44 A9B30C44 -418.36 9.24 -9.73 -0.48 0
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3965 10505 1 O4C23H32 A4B23C32 -196.0 4.44 -9.56 -0.52 0
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3966 10506 1 O8C29H44 A8B29C44 -395.41 8.53 -10.28 -0.3 0
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3967 10507 1 O6C27H40 A6B27C40 -312.57 6.47 -9.64 -0.12 0
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3968 10509 1 CN4O8 AB4C8 33.68 0.11 -12.62 -2.69 0
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3969 10510 2 NOC10H11 ABC10D11 -27.45 4.18 -8.85 -0.08 0
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3970 10511 1 NO9C25H41 AB9C25D41 -290.71 6.36 -8.86 1.48 0
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3971 10512 1 N2O3C22H24 A2B3C22D24 -69.06 2.82 -8.22 -0.04 0
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3972 10514 1 N2O3C22H24 A2B3C22D24 -71.29 4.14 -8.57 0.05 0
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3973 10515 1 NO3C17H21 AB3C17D21 -103.45 5.12 -8.56 0.07 0
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3974 10516 1 N2O4C23H30 A2B4C23D30 -111.73 3.39 -8.52 0.0 0
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3975 10518 1 N2O3C13H18 A2B3C13D18 -141.19 2.4 -9.9 -0.58 0
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3976 10519 1 ClN2O2C22H31 AB2C2D22E31 -64.55 8.79 -8.5 -0.04 0
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3977 10520 1 N2O2C22H31 A2B2C22D31 -18.29 2.67 0.0 0.0 1
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3978 10521 1 ON2C23H26 AB2C23D26 30.13 4.59 -8.09 0.4 0
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3979 10523 1 NO5C15H27 AB5C15D27 -212.77 5.37 -8.88 0.42 0
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3980 10526 1 O5C24H30 A5B24C30 -203.44 6.98 -9.34 -0.49 0
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3981 10531 1 N5O5C33H37 A5B5C33D37 -167.44 8.47 -8.69 -0.37 0
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3982 10532 1 BrNO3C30H34 ABC3D30E34 -70.79 13.74 -7.48 -1.0 0
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3983 10533 1 NO3C30H34 AB3C30D34 -61.91 4.11 0.0 0.0 1
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3984 10534 3 C5H8 A5B8 -8.4 0.85 -9.14 1.45 0
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3985 10538 1 C6O7H8 A6B7C8 -309.11 3.9 -11.49 -0.77 0
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3986 10540 1 CNaSH3O4 ABCD3E4 -206.99 8.36 -10.37 0.18 0
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3987 10545 2 OC5H8 AB5C8 -23.31 3.05 -8.6 0.33 0
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3988 10549 1 SO3C4H10 AB3C4D10 -140.75 5.46 -10.82 0.66 0
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3989 10550 1 OC10H18 AB10C18 -63.48 2.04 -10.23 2.52 0
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3990 10552 1 Br2C3H4 A2B3C4 11.75 2.11 -10.27 -0.82 0
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3991 10558 1 SC4H10 AB4C10 -21.59 1.97 -8.88 0.62 0
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3992 10559 1 IC4H9 AB4C9 -11.38 2.46 -9.52 -0.58 0
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3993 10560 1 SC4H10 AB4C10 -23.9 2.15 -8.86 0.66 0
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3994 10561 1 CN2S2H6 AB2C2D6 16.26 3.36 -9.35 -0.22 0
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3995 10562 1 CNS2H3 ABC2D3 24.04 1.59 -9.52 -0.51 0
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3996 10563 1 BaCO3 ABC3 -181.21 11.47 -9.79 -1.83 0
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3997 10564 1 CCdO3 ABC3 -22.21 13.78 -9.86 -3.54 0
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3998 10565 1 CCoO3 ABC3 -56.79 7.19 0.0 0.0 0
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3999 10566 2 C3H5 A3B5 11.15 0.01 -9.27 0.47 0