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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59033 24770427 1 O2C13H18 A2B13C18 -56.54 3.01 -8.23 0.34 0
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59034 24770444 1 P2N5O9C14H23 A2B5C9D14E23 -413.03 3.22 -8.79 -0.44 0
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59036 24770477 1 O10H20C21 A10B20C21 -370.16 1.73 -9.73 -2.07 0
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59037 24770534 1 SO3N4C23H46 AB3C4D23E46 -173.17 2.08 -8.78 0.17 0
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59038 24770537 1 ON4H34C41 AB4C34D41 192.61 3.87 -8.24 -1.5 0
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59039 24770538 1 NO2C15H21 AB2C15D21 -91.88 3.45 -8.64 -0.01 0
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59040 24770541 1 NO2C14H15 AB2C14D15 12.77 3.94 -8.48 -0.32 0
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59041 24770547 1 NO5C10H17 AB5C10D17 -186.64 4.8 -9.69 0.96 0
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59042 24770550 1 O3N6C11H16 A3B6C11D16 -66.6 2.9 -9.33 -0.79 0
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59043 24770558 1 ClSF2N4O5C30H37 ABC2D4E5F30G37 -261.13 5.44 -9.42 -0.93 0
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59044 24770560 1 NO5H29C32 AB5C29D32 -76.26 2.27 -8.78 -0.35 0
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59045 24770563 1 N2O7C17H20 A2B7C17D20 -230.49 4.3 -9.93 -0.64 0
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59046 24770575 2 OC8H12 AB8C12 -78.03 4.07 -8.39 0.4 0
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59047 24770578 1 ClO3C8H9 AB3C8D9 -116.41 3.3 -8.56 -0.46 0
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59048 24770580 1 O5C23H32 A5B23C32 -234.53 4.47 -8.96 -0.24 0
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59049 24770581 1 O6C19H24 A6B19C24 -265.16 10.78 -9.52 -0.8 0
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59050 24770586 1 BrN2O3H13C17 AB2C3D13E17 -39.73 2.5 -9.66 -1.41 0
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59051 24770589 1 SF3N4O4C38H47 AB3C4D4E38F47 -161.34 75.85 -7.71 -2.44 0
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59052 24770591 1 BrO4N5C26H28 AB4C5D26E28 -73.82 8.54 -8.5 -1.17 0
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59053 24770592 1 NOC21H25 ABC21D25 0.63 2.33 -8.65 0.12 0
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59054 24770600 1 N2O2C13H16 A2B2C13D16 -56.33 1.81 -8.78 -0.86 0
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59055 24770648 2 OC8H12 AB8C12 -78.88 1.85 -8.46 0.44 0
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59056 24770655 1 O2C13H18 A2B13C18 -60.91 1.8 -8.75 0.47 0
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59057 24770658 4 OC8H13 AB8C13 -243.13 4.95 -9.1 0.48 0
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59058 24770668 1 PN5O6C28H52 AB5C6D28E52 -324.7 2.9 -9.12 -0.56 0
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59059 24770672 1 SN4O4C22H30 AB4C4D22E30 -144.41 6.55 -8.57 -0.06 -1
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59062 24770693 1 SiO4C20H32 AB4C20D32 -218.12 1.72 -8.48 0.14 0
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59063 24770696 1 Si2O7C33H52 A2B7C33D52 -387.14 4.65 -8.24 -0.52 0
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59064 24770717 1 SN2F3O5C27H31 AB2C3D5E27F31 -296.61 7.04 -9.56 -1.18 0
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59065 24770720 1 N3O5H23C25 A3B5C23D25 -2.18 5.02 -9.35 -1.27 0
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59066 24770726 1 O2C17H26 A2B17C26 -82.25 2.17 -8.74 0.47 0
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59067 24770729 2 OC7H9 AB7C9 -38.43 2.29 -8.77 0.44 0
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59068 24770731 2 OC6H8 AB6C8 -52.59 2.74 -8.17 0.21 0
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59069 24770735 2 O2C15H25 A2B15C25 -240.99 3.94 -9.72 1.16 0
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59070 24770739 1 O5C20H28 A5B20C28 -244.61 2.64 -9.81 0.08 0
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59071 24770743 1 O5C28H36 A5B28C36 -159.41 5.74 -8.64 -0.9 0
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59072 24770764 1 ClPN2O3H20C21 ABC2D3E20F21 -28.05 5.11 -9.64 -0.55 0
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59073 24770766 1 SiO5C25H40 AB5C25D40 -250.59 2.0 -8.74 -0.22 0
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59074 24770768 1 SiO7C24H40 AB7C24D40 -361.86 3.44 -8.77 -0.46 0
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59075 24770770 1 SO6C19H24 AB6C19D24 -218.83 5.13 -8.84 -0.55 0
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59076 24770780 1 SF3N3O6C30H30 AB3C3D6E30F30 -277.13 5.82 -9.09 -1.34 0
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59077 24770784 1 N3O6C16H19 A3B6C16D19 -91.98 7.65 -9.05 -0.99 0
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59078 24770791 2 OC7H10 AB7C10 -62.09 0.87 -8.13 0.17 0
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59079 24770792 2 OC8H12 AB8C12 -74.82 2.8 -8.18 0.24 0
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59080 24770794 1 O2C15H22 A2B15C22 -67.77 0.69 -8.11 0.18 0
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59082 24770812 4 O4C9H11 A4B9C11 -667.15 6.63 -8.25 0.04 0
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59083 24770817 1 N3O4C15H19 A3B4C15D19 -120.07 2.97 -8.42 -0.12 0
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59084 24770843 1 N3O5C16H17 A3B5C16D17 -41.64 2.2 -9.23 -1.21 0
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59085 24770845 1 N3O6C15H19 A3B6C15D19 -112.57 5.94 -9.41 -1.28 0
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59086 24770848 1 N3O3C14H17 A3B3C14D17 -46.4 4.66 -9.0 -0.82 0
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59087 24770849 1 N3O3C18H25 A3B3C18D25 -71.24 6.34 -8.85 -0.73 0
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59088 24770850 1 O2C15H22 A2B15C22 -69.05 0.25 -8.09 0.2 0
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59089 24770854 2 OC6H8 AB6C8 -75.75 3.72 -8.08 0.17 0
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59090 24770857 1 O10C35H38 A10B35C38 -305.84 7.13 -9.44 -0.69 0
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59091 24770858 2 O5C17H22 A5B17C22 -381.65 4.5 -9.42 -0.28 0
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59092 24770862 2 NO2C12H16 AB2C12D16 -150.87 7.56 -9.07 -1.01 0
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59093 24770890 1 F3O3N4C24H27 A3B3C4D24E27 -238.94 2.29 -8.52 -0.91 0
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59094 24770891 1 O2F3N4C23H27 A2B3C4D23E27 -195.68 1.98 -8.46 -0.88 0
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59095 24770892 1 F3O3N4C23H25 A3B3C4D23E25 -242.73 5.53 -8.36 -0.76 0
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59096 24770909 1 ClO2N3C21H24 AB2C3D21E24 -16.69 5.12 -9.0 -0.64 0
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59097 24770918 1 ClSO2N3C16H20 ABC2D3E16F20 -31.99 5.44 -8.88 -1.61 0
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59098 24770920 1 FSO2N3C16H20 ABC2D3E16F20 -75.48 5.72 -8.88 -1.56 0
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59099 24770926 1 NF3O3C34H34 AB3C3D34E34 -177.78 6.34 -8.22 -0.84 0
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59100 24770931 1 O4N7H23C25 A4B7C23D25 51.46 5.75 -8.75 -1.48 0
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59101 24770944 1 OF3N4C21H23 AB3C4D21E23 -147.1 5.34 -8.38 -0.74 0
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59102 24770952 1 NO3H15C18 AB3C15D18 -50.6 1.91 -8.67 -0.9 0
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59103 24770960 1 SO3N4C24H26 AB3C4D24E26 26.5 18.28 -7.73 -1.5 0
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59104 24770964 1 FO2N3C20H22 AB2C3D20E22 -49.76 4.35 -8.99 -0.89 0
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59105 24770971 1 BrNO12C35H42 ABC12D35E42 -480.23 6.39 -8.49 -1.0 0
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59106 24770977 1 ClSO4N6C11H15 ABC4D6E11F15 -112.59 3.59 -9.24 -0.79 0
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59107 24770979 1 ClO3N4H11C20 AB3C4D11E20 66.28 5.59 -8.94 -1.75 0
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59108 24770989 1 N2O2C17H20 A2B2C17D20 -9.61 2.73 -9.01 -0.57 0
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59109 24770998 1 ClO3N6C27H29 AB3C6D27E29 -39.81 6.96 -8.82 -0.5 0
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59110 24770999 1 O3N8C33H42 A3B8C33D42 -56.15 4.75 -8.43 -0.1 0
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59111 24771007 1 SO3N4H18C20 AB3C4D18E20 -22.8 3.03 -8.38 -1.22 0
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59112 24771010 1 SO3N4H18C20 AB3C4D18E20 -19.4 8.57 -8.48 -1.44 0
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59113 24771011 1 SO3N4H20C21 AB3C4D20E21 -19.13 4.69 -9.04 -1.23 0
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59114 24771027 1 ClO3N6C24H25 AB3C6D24E25 -44.3 5.87 -8.87 -0.71 0
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59115 24771028 1 ClO3N6C19H29 AB3C6D19E29 -117.9 5.05 -8.75 -0.42 0
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59116 24771036 1 N2O2C17H20 A2B2C17D20 -6.11 3.68 -8.84 -0.4 0
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59117 24771037 1 OCl2N2C16H18 AB2C2D16E18 -11.68 5.74 -9.48 -0.93 0
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59118 24771042 1 ClOSN2C17H19 ABCD2E17F19 38.15 5.77 -8.5 -0.97 0
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59119 24771062 1 SO15N16C44H78 AB15C16D44E78 -743.1 5.34 -8.71 -0.48 1
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59120 24771065 1 SO3N4C22H23 AB3C4D22E23 7.93 3.92 0.0 0.0 1
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59121 24771068 1 SO3N4C24H27 AB3C4D24E27 -9.9 5.87 0.0 0.0 0
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59122 24771086 1 ClO3N6C18H27 AB3C6D18E27 -113.12 3.33 -8.76 -0.43 0
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59123 24771087 1 O3N8C22H36 A3B8C22D36 -110.5 7.07 -8.24 0.12 0
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59124 24771093 1 BrON4H11C19 ABC4D11E19 84.79 4.49 -8.64 -1.29 0
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59125 24771116 1 NO6C11H11 AB6C11D11 -145.66 7.3 -9.24 -1.33 0
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59126 24771117 1 NO3C14H17 AB3C14D17 -98.3 5.27 -8.72 -0.35 0
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59127 24771118 1 N2O3C15H20 A2B3C15D20 -89.68 5.25 -8.62 -0.33 0
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59128 24771121 1 SO3N4C22H22 AB3C4D22E22 44.14 16.13 -7.64 -1.76 1
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59129 24771122 1 SO3N4C22H23 AB3C4D22E23 4.84 3.98 0.0 0.0 0
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59130 24771123 1 SO3N4C22H22 AB3C4D22E22 -25.86 7.83 -8.35 -1.3 0
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59131 24771136 1 ClNO12C35H38 ABC12D35E38 -435.54 9.07 -8.49 -2.04 0
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59132 24771140 1 O3N8C28H34 A3B8C28D34 -43.43 4.8 -8.25 -0.64 0
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59133 24771146 1 O3N4H14C21 A3B4C14D21 65.28 6.34 -8.6 -1.52 0
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59134 24771156 2 NOC10H15 ABC10D15 -71.5 1.53 -8.32 0.43 0
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59135 24771161 1 ON2C22H34 AB2C22D34 -49.13 1.21 -8.33 0.44 0
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59136 24771162 1 ON2C22H34 AB2C22D34 -51.98 1.46 -8.27 0.48 0