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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396656 135028992 2 NC4H9 AB4C9 5.11 2.9 -7.99 1.52 0
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396657 135028993 1 N2C29H30 A2B29C30 80.27 3.21 -8.03 0.18 0
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396658 135028994 1 N2C31H34 A2B31C34 69.77 3.95 -8.0 0.25 0
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396659 135028995 1 N2O3C28H28 A2B3C28D28 -13.27 3.96 -7.6 0.07 0
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396660 135028996 1 N2O3C30H32 A2B3C30D32 -28.0 4.45 -7.67 0.09 0
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396661 135028997 1 BrCuHC2F2O2 ABCD2E2F2 -143.0 3.49 0.0 0.0 0
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396662 135028998 2 O2H6C9 A2B6C9 -34.02 4.2 -9.97 -1.46 0
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396663 135028999 1 NO4H9C16 AB4C9D16 47.04 6.81 -10.11 -2.03 0
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396664 135029000 1 N3O4C16H19 A3B4C16D19 -121.2 3.66 -9.25 -0.32 0
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396665 135029002 2 OH6C10 AB6C10 65.55 4.69 -9.27 -1.15 0
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396666 135029004 1 NO3H19C23 AB3C19D23 -18.61 4.6 -8.21 -0.08 0
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396667 135029005 2 O2C5H9 A2B5C9 -186.86 4.06 -9.49 0.51 0
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396668 135029006 1 IH15C16 AB15C16 68.75 1.55 -9.05 -0.87 0
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396669 135029007 1 FOSH9C15 ABCD9E15 -16.49 2.38 -8.99 -1.16 0
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396670 135029008 1 NO4C15H17 AB4C15D17 -115.13 3.73 -9.77 -0.22 0
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396671 135029014 1 O7C26H26 A7B26C26 -214.59 2.42 -8.77 -0.44 0
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396672 135029015 1 O7C26H26 A7B26C26 -213.37 2.53 -8.73 -0.44 0
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396673 135029016 1 FNOH12C19 ABCD12E19 19.83 1.96 -8.99 -1.12 0
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396674 135029018 1 O2H22C25 A2B22C25 -15.94 4.9 -9.12 -0.69 0
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396675 135029020 2 FOC6H6 ABC6D6 -161.53 3.11 -10.32 -0.72 0
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396676 135029022 1 NO4C23H25 AB4C23D25 -141.17 2.82 -8.87 -0.56 0
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396677 135029023 1 N2O3H18C24 A2B3C18D24 -25.48 3.11 -9.32 -1.63 0
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396678 135029024 1 N2O3H16C23 A2B3C16D23 7.01 4.86 -9.14 -1.38 0
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396679 135029025 1 N2O3H20C25 A2B3C20D25 -35.06 3.88 -9.02 -1.47 0
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396680 135029026 1 N4C9H10 A4B9C10 130.3 5.59 -10.19 0.03 0
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396681 135029027 1 NSO2C23H31 ABC2D23E31 -22.8 4.16 -8.37 -0.11 0
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396682 135029028 1 SF3O5H15C25 AB3C5D15E25 -258.23 2.4 -9.0 -1.65 0
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396683 135029029 1 NO2H15C25 AB2C15D25 37.33 3.73 -9.09 -0.78 0
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396684 135029030 1 NBr2O2H21C29 AB2C2D21E29 41.97 3.87 -9.02 -0.76 2
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396686 135029033 1 NO5H41C44 AB5C41D44 -74.13 4.28 -8.06 -0.06 0
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396687 135029034 2 OPC13H18 ABC13D18 -106.16 0.68 -8.04 0.42 0
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396688 135029035 2 O3H22C25 A3B22C25 155.7 0.73 -9.6 -0.24 0
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396689 135029036 1 O3H18C22 A3B18C22 31.53 2.76 -10.03 -1.11 0
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396690 135029037 1 O3C22H22 A3B22C22 -16.72 2.14 -9.65 -0.13 0
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396691 135029039 1 O5H36C44 A5B36C44 209.94 13.14 -7.13 -2.59 0
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396692 135029040 2 O2H17C22 A2B17C22 291.22 8.58 -8.26 -1.11 0
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396693 135029041 4 C5H8 A5B8 -44.34 0.42 -8.72 0.74 0
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396694 135029042 1 NC6H9 AB6C9 68.24 1.68 -9.27 1.22 0
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396695 135029043 1 NOSiC19H27 ABCD19E27 -43.42 1.96 -9.17 0.34 0
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396696 135029044 1 NOSiC17H23 ABCD17E23 -32.54 2.33 -9.19 0.32 0
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396698 135029046 1 O3C17H25 A3B17C25 -109.09 4.94 0.0 0.0 0
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396700 135029048 1 O3C17H28 A3B17C28 -145.37 1.54 -9.7 0.65 0
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396701 135029049 1 NO2C23H29 AB2C23D29 -52.45 4.41 -8.06 0.14 0
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396704 135029053 1 N2C33H34 A2B33C34 75.38 4.83 -8.03 0.25 0
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396705 135029054 1 O3H10C18 A3B10C18 38.28 5.21 -9.57 -1.24 0
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396706 135029055 3 OH4C6 AB4C6 7.17 5.52 -9.23 -1.11 0
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396707 135029057 2 O2H6C7 A2B6C7 -84.6 2.38 -9.88 -1.04 0
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396708 135029058 2 OSH5C7 ABC5D7 -3.59 3.97 -9.07 -1.23 0
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396709 135029059 1 NF2H23C24 AB2C23D24 -44.94 4.61 -9.43 -0.37 0
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396710 135029060 1 NF3O3H16C19 AB3C3D16E19 -240.84 1.68 -9.26 -1.21 0
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396711 135029061 1 NO2C21H23 AB2C21D23 -57.74 3.94 -8.85 -0.76 0
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396712 135029062 1 NC21H21 AB21C21 67.42 2.5 -9.36 -0.23 0
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396713 135029063 1 NH16C21 AB16C21 138.05 2.09 0.0 0.0 0
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396714 135029064 1 N2O4C7H14 A2B4C7D14 -162.72 3.88 -9.54 0.48 0
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396715 135029071 1 NO2H21C27 AB2C21D27 89.37 5.73 -9.45 -1.3 0
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396716 135029073 1 SN2O2H20C23 AB2C2D20E23 20.67 5.19 -8.86 -0.6 0
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396717 135029074 1 SN2O3H20C23 AB2C3D20E23 -10.47 6.13 -8.51 -0.62 0
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396718 135029076 1 ClSN2O2H17C22 ABC2D2E17F22 20.32 3.7 -9.01 -0.74 0
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396719 135029078 1 FSN2O2H17C22 ABC2D2E17F22 -16.01 5.85 -9.11 -0.66 0
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396720 135029081 1 SN2O2H22C24 AB2C2D22E24 19.1 4.41 -9.16 -0.6 0
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396721 135029084 1 SN2O2H22C24 AB2C2D22E24 16.49 3.73 -8.89 -0.62 0
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396722 135029085 1 ClSN2O2H17C22 ABC2D2E17F22 20.46 6.49 -9.04 -0.75 0
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396723 135029086 1 BrSN2O2H17C22 ABC2D2E17F22 32.57 6.54 -9.05 -0.76 -1
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396724 135029090 1 NH14C20 AB14C20 125.51 2.47 0.0 0.0 0
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396725 135029094 1 ClNS2O4H10C17 ABC2D4E10F17 -88.56 2.34 -9.43 -1.98 0
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396726 135029095 1 NSiO4C21H35 ABC4D21E35 -231.03 2.21 -8.83 0.19 0
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396727 135029097 2 OH6C8 AB6C8 -8.88 2.89 -9.92 -0.89 0
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396728 135029098 1 O5H16C18 A5B16C18 -172.1 1.54 -8.42 -1.16 0
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396729 135029099 9 C5H6 A5B6 32.0 3.22 -7.95 -0.1 0
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396730 135029102 1 N2C21H22 A2B21C22 144.48 1.56 -8.34 -0.16 0
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396731 135029104 1 N3O4C21H25 A3B4C21D25 -56.1 3.54 -8.98 -0.37 0
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396733 135029110 1 BrOC19H21 ABC19D21 -33.81 4.17 -8.94 -1.0 0
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396734 135029111 1 BrC19H21 AB19C21 26.44 2.09 -8.79 -0.97 -1
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396735 135029112 1 NC4O4H8 AB4C4D8 -164.72 2.24 0.0 0.0 0
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396736 135029113 1 NO2C19H19 AB2C19D19 -3.62 3.86 -8.62 -0.16 0