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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
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4000 10567 1 OCl2C3H4 AB2C3D4 -58.96 3.71 -10.59 -0.57 0
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4001 10568 2 CI2 AB2 87.74 0.0 -9.18 -2.65 0
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4002 10569 2 OC10H15 AB10C15 -121.94 2.5 -8.59 0.77 0
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4003 10570 1 O3C19H30 A3B19C30 -187.33 3.34 -9.85 0.57 0
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4004 10572 1 FO6C23H31 AB6C23D31 -332.96 4.02 -9.84 -0.58 0
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4005 10576 1 O2C19H28 A2B19C28 -17.53 6.34 -9.04 0.06 0
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4006 10577 1 O9C26H32 A9B26C32 -414.04 3.76 -8.71 0.28 0
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4007 10578 1 IN2S2C23H23 AB2C2D23E23 97.71 6.07 -7.89 -1.12 0
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4008 10579 1 N2S2C23H23 A2B2C23D23 85.79 3.09 0.0 0.0 1
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4009 10580 2 OC20H26 AB20C26 -24.64 2.07 -7.95 -0.41 0
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4010 10583 3 C5H8 A5B8 3.0 1.21 -9.44 1.29 0
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4011 10584 1 NaSO3H5C6 ABC3D5E6 -137.86 6.96 -9.64 0.08 0
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4012 10585 1 SO3C8H10 AB3C8D10 -104.63 4.42 -10.32 -0.74 0
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4013 10586 1 OC15H26 AB15C26 -78.47 2.61 -9.01 1.66 0
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4014 10588 1 O2Cl3C4H5 A2B3C4D5 -109.96 2.64 -11.06 -0.84 0
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4015 10589 1 FeC2O4 AB2C4 -30.22 4.91 -9.93 -1.35 0
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4016 10590 1 O4C21H34 A4B21C34 -226.24 7.67 -9.88 0.0 0
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4017 10593 1 O4C21H34 A4B21C34 -226.32 6.27 -10.03 0.01 0
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4018 10594 1 NSO6C26H45 ABC6D26E45 -334.3 5.16 -10.1 0.0 0
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4019 10595 1 NSO5C26H45 ABC5D26E45 -292.16 8.2 -10.11 0.05 0
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4021 10600 1 NC8H13 AB8C13 -5.98 1.6 -8.26 1.44 0
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4022 10603 2 O3H7C8 A3B7C8 -198.45 3.62 -8.61 -0.34 0
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4023 10605 1 NO5C20H23 AB5C20D23 -123.91 5.26 -8.67 -0.42 0
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4024 10607 2 O4C11H11 A4B11C11 -260.2 3.84 -8.35 -0.52 0
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4025 10610 1 SN2O3C19H22 AB2C3D19E22 -69.82 2.7 -8.33 -0.41 0
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4026 10611 1 O5C13H14 A5B13C14 -204.31 6.75 -9.3 -1.23 0
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4027 10613 2 NH2C3O3 AB2C3D3 -74.72 6.2 -10.67 -2.01 0
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4028 10614 1 H16C19 A16B19 71.18 0.14 -9.25 0.23 0
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4029 10615 1 NOH13C14 ABC13D14 4.5 4.24 -8.77 -0.25 0
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4030 10616 1 N2O2C17H28 A2B2C17D28 -86.75 4.52 -8.75 0.05 0
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4031 10617 1 O3H14C20 A3B14C20 -53.89 7.79 -9.21 -1.65 0
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4032 10618 1 ON3C12H15 AB3C12D15 18.32 4.74 -8.17 -0.23 0
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4033 10619 1 BrNOC19H32 ABCD19E32 -71.38 10.92 -7.94 0.03 0
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4034 10620 1 NOC19H32 ABC19D32 -31.81 1.7 0.0 0.0 1
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4035 10621 1 O15C28H34 A15B28C34 -610.15 1.85 -8.79 -0.6 0
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4036 10622 1 O15C28H32 A15B28C32 -596.1 6.25 -9.05 -1.21 0
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4037 10625 1 N5C10H13 A5B10C13 70.21 9.65 -9.06 -0.52 0
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4038 10626 1 NO2C8H13 AB2C8D13 -81.0 3.75 -9.15 0.41 0
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4039 10627 1 NO7C20H31 AB7C20D31 -315.89 1.2 -9.09 -0.01 0
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4040 10629 1 OSH6C8 ABC6D8 0.23 2.66 -8.43 -0.63 0
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4041 10630 1 NO3C7H11 AB3C7D11 -144.37 2.16 -10.76 -0.21 0
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4042 10631 1 O3C22H32 A3B22C32 -112.06 2.71 -8.76 -0.31 0
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4043 10632 2 OC10H16 AB10C16 -142.89 4.04 -9.23 1.38 0
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4044 10633 2 OC10H16 AB10C16 -135.07 5.2 -9.6 0.91 0
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4045 10634 1 O2C19H30 A2B19C30 -122.64 1.88 -9.21 1.29 0
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4046 10635 1 O2C19H30 A2B19C30 -111.99 5.18 -8.98 0.18 0
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4047 10636 1 NaSH5O5C10 ABC5D5E10 -173.1 8.49 -9.56 -1.55 0
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4048 10641 1 NC20H23 AB20C23 50.89 2.02 -8.62 -0.12 0
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4049 10642 1 O11H20C21 A11B20C21 -389.87 8.23 -9.02 -1.84 0
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4050 10643 1 O7C20H20 A7B20C20 -186.74 1.86 -8.6 -0.86 0