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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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260050 103179427 1 N2O3C13H26 A2B3C13D26 -145.51 2.36 -8.94 1.29 0
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260051 103179428 1 BrFO3C13H18 ABC3D13E18 -154.79 2.99 -9.8 -0.57 0
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260052 103179429 1 N2O3C14H28 A2B3C14D28 -152.52 2.57 -8.95 1.18 0
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260053 103179437 1 BrClNO2C13H19 ABCD2E13F19 -87.33 3.53 -8.48 -0.26 0
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260054 103179438 1 BO6C14H23 AB6C14D23 -303.9 4.51 -8.98 0.03 0
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260055 103179440 1 NO3C11H25 AB3C11D25 -149.46 2.61 -8.95 2.08 0
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260056 103179445 1 N2O3C14H20 A2B3C14D20 -75.16 6.46 -8.39 -0.45 0
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260057 103179460 1 BO6C14H23 AB6C14D23 -302.72 4.6 -9.04 0.04 0
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260058 103179476 1 NSO2C11H25 ABC2D11E25 -110.39 3.56 -8.49 0.87 0
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260059 103179483 1 NO3C16H23 AB3C16D23 -58.94 4.45 -9.18 -0.14 0
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260060 103179484 1 NO3C13H29 AB3C13D29 -155.26 1.01 -8.77 2.13 0
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260061 103179492 1 FNO3C16H22 ABC3D16E22 -107.04 4.62 -9.45 -0.47 0
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260062 103179506 2 O2C8H11 A2B8C11 -117.23 4.86 -9.22 -0.2 0
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260063 103179567 1 NO4C9H19 AB4C9D19 -183.11 4.31 -9.79 1.0 0
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260064 103179577 1 O5C16H26 A5B16C26 -202.88 2.83 -8.72 0.36 0
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260065 103179606 2 NOC7H10 ABC7D10 -50.36 2.73 -7.84 0.11 0
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260066 103179607 1 O4C17H28 A4B17C28 -174.18 3.27 -9.23 0.31 0
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260067 103179629 2 O2C8H13 A2B8C13 -166.99 2.24 -9.58 0.17 0
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260068 103179660 1 O5C15H24 A5B15C24 -199.43 2.71 -9.06 0.05 0
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260069 103179760 1 SO2N3C12H25 AB2C3D12E25 -79.51 5.91 -8.57 -0.06 0
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260070 103179819 1 NO3C11H21 AB3C11D21 -134.03 2.92 -8.94 0.51 0
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260071 103179879 1 SO6C10H20 AB6C10D20 -275.41 1.99 -9.99 -0.09 0
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260072 103179898 1 BrFO3C12H16 ABC3D12E16 -150.79 4.7 -9.2 -0.33 0
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260073 103180027 1 N3O3C10H23 A3B3C10D23 -97.01 2.93 -8.88 0.9 0
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260074 103180235 1 INO5C15H28 ABC5D15E28 -227.87 2.0 -8.97 -1.09 0
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260075 103180262 1 N2O2C13H30 A2B2C13D30 -107.58 1.87 -8.66 2.01 0
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260076 103180285 1 BrO3C13H25 AB3C13D25 -155.0 1.79 -9.7 0.02 0
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260077 103180303 1 N2O2C15H32 A2B2C15D32 -115.32 2.54 -8.59 2.08 0
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260078 103180321 2 NOC8H17 ABC8D17 -120.79 2.94 -8.56 2.05 0
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260079 103180329 1 N2O2C15H30 A2B2C15D30 -86.46 0.67 -8.56 2.15 0
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260080 103180450 1 NO5C15H19 AB5C15D19 -158.81 6.55 -8.72 -1.41 0
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260081 103180456 1 NF2O4C14H15 AB2C4D14E15 -208.46 5.32 -9.43 -1.89 0
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260082 103180461 1 NF2O4C14H15 AB2C4D14E15 -218.83 4.19 -9.74 -1.7 0
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260083 103180510 1 NO3C17H33 AB3C17D33 -139.54 2.66 -9.06 1.62 0
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260084 103180616 1 N2O3C15H26 A2B3C15D26 -111.2 2.13 -8.47 0.16 0
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260085 103180831 1 ClO5C15H19 AB5C15D19 -188.2 5.17 -9.64 -0.78 0
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260086 103180854 1 N3O3C14H25 A3B3C14D25 -98.04 6.02 -9.24 -0.31 0
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260087 103180883 1 BFO5C12H18 ABC5D12E18 -305.1 4.24 -9.2 -0.46 -1
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260088 103180909 1 BNF3O3C11H16 ABC3D3E11F16 -313.11 15.65 0.0 0.0 0
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260089 103180933 1 N2O3C14H24 A2B3C14D24 -111.07 1.37 -9.07 0.22 0
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260090 103181002 1 NO3C12H25 AB3C12D25 -130.91 1.46 -8.98 1.61 0
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260091 103181004 1 N2O4C13H24 A2B4C13D24 -112.12 5.77 -9.09 0.09 0
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260092 103181008 1 NO3C10H21 AB3C10D21 -124.8 2.87 -9.37 1.64 0
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260093 103181030 1 NO4C16H29 AB4C16D29 -156.37 1.1 -8.97 0.49 0
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260094 103181125 1 NO4C16H29 AB4C16D29 -164.54 2.37 -8.9 0.27 0
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260095 103181131 1 N2O3C15H26 A2B3C15D26 -109.15 4.59 -9.22 -0.11 0
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260096 103181220 1 N2O4C15H28 A2B4C15D28 -127.94 5.4 -9.02 0.15 0
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260097 103181251 1 NO4C16H25 AB4C16D25 -162.21 5.06 -8.27 0.3 0
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260098 103181261 1 NO4C11H23 AB4C11D23 -190.68 8.03 -9.05 1.01 0
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260099 103181305 1 NO4C12H25 AB4C12D25 -194.71 5.7 -9.04 0.66 0
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260100 103181310 1 NO4C11H21 AB4C11D21 -181.79 7.37 -9.55 0.7 0
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260101 103181324 1 NO5C14H27 AB5C14D27 -233.31 3.82 -8.8 0.49 0
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260102 103181338 1 NO5C11H21 AB5C11D21 -215.89 8.03 -9.57 0.7 0
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260103 103181342 1 ClN2O4C11H15 AB2C4D11E15 -117.33 4.33 -9.88 -1.74 0
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260104 103181377 1 ClNO4C14H20 ABC4D14E20 -159.3 3.32 -9.9 -1.19 0
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260105 103181417 1 FNO6C13H16 ABC6D13E16 -195.39 5.94 -10.0 -2.13 0
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260106 103181420 1 NO4C16H31 AB4C16D31 -208.93 6.23 -9.16 0.72 0
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260107 103181468 1 NO4C15H31 AB4C15D31 -204.64 4.59 -9.22 1.53 0
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260108 103181504 1 NO4C15H25 AB4C15D25 -155.48 3.97 -9.25 0.41 0
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260109 103181540 1 NO4C13H27 AB4C13D27 -193.56 2.84 -9.14 1.63 0
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260110 103181541 1 SO3C8H18 AB3C8D18 -142.45 3.03 -8.93 0.32 0
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260111 103181545 1 SO3C10H22 AB3C10D22 -153.56 3.25 -8.65 0.65 0
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260112 103181557 1 NO4C16H27 AB4C16D27 -164.63 3.87 -9.41 0.33 0
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260113 103181569 1 N3O3C15H29 A3B3C15D29 -129.32 1.75 -8.99 1.01 0
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260114 103181634 2 NOC6H13 ABC6D13 -107.26 2.22 -8.74 2.0 0
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260115 103181664 1 NO3C13H21 AB3C13D21 -112.76 6.32 -9.24 0.32 0
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260116 103181692 1 NO3C14H23 AB3C14D23 -128.26 4.01 -8.73 1.01 0
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260117 103181737 1 O2N3C14H21 A2B3C14D21 -40.47 2.63 -8.68 -0.25 0
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260118 103181781 1 N2O2C17H26 A2B2C17D26 -58.32 4.42 -8.43 0.04 0
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260119 103181784 1 ClN2O2C10H17 AB2C2D10E17 -71.83 5.29 -9.38 -0.02 0
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260120 103181919 1 ClSN2O4C11H19 ABC2D4E11F19 -156.34 11.71 -10.18 -0.64 0
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260121 103181934 1 N3C13H21 A3B13C21 1.16 2.26 -8.58 0.33 0
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260122 103181943 1 N4C15H26 A4B15C26 7.92 5.4 -8.2 0.1 0
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260123 103181977 1 N3C18H25 A3B18C25 27.36 2.92 -8.6 0.26 0
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260124 103181997 1 SN2O5C12H16 AB2C5D12E16 -116.99 6.45 -9.64 -1.42 0