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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392077 135012655 1 O5C16H30 A5B16C30 -271.43 3.21 -9.95 0.37 0
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392078 135012656 1 SiO7C22H44 AB7C22D44 -417.8 3.37 -9.35 0.61 0
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392079 135012664 1 O2C11H14 A2B11C14 -43.15 3.76 -9.14 0.4 0
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392080 135012665 1 FNO2H24C25 ABC2D24E25 -46.07 2.2 -8.95 0.08 1
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392081 135012666 1 SeO6H11C17 AB6C11D17 -142.16 6.6 0.0 0.0 -1
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392082 135012685 1 NiN4F6O6C34H39 AB4C6D6E34F39 -417.4 6.15 0.0 0.0 1
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392083 135012688 1 N2C19H21 A2B19C21 91.87 4.98 0.0 0.0 0
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392084 135012695 1 NF3O4C17H18 AB3C4D17E18 -297.48 0.85 -9.79 -0.29 -1
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392085 135012696 1 ON2C9H9 AB2C9D9 39.47 4.47 0.0 0.0 0
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392086 135012724 1 N3O5H27C33 A3B5C27D33 13.13 3.6 -9.18 -1.69 0
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392088 135012758 1 ClNSO4C13H16 ABCD4E13F16 -140.79 2.53 -10.02 -0.83 1
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392089 135012772 1 SN3C18H22 AB3C18D22 54.25 4.59 0.0 0.0 0
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392090 135012773 1 NSO4H15C16 ABC4D15E16 -49.38 4.59 -9.3 -0.74 0
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392091 135012776 1 N3O5H27C33 A3B5C27D33 0.43 8.5 -8.99 -1.43 -3
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392092 135012780 1 NiC3H10 AB3C10 66.99 0.35 -8.15 1.07 0
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392093 135012782 1 NSi2O5C22H47 AB2C5D22E47 -345.66 4.33 -8.72 0.37 0
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392094 135012810 1 O5C14H14 A5B14C14 -59.51 3.07 -10.31 -0.53 0
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392095 135012821 1 NO3C17H23 AB3C17D23 -100.34 2.44 -9.27 -0.1 0
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392096 135012852 1 NO7C18H23 AB7C18D23 -286.76 6.15 -9.93 -0.14 1
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392097 135012855 1 N2C15H19 A2B15C19 84.9 4.51 0.0 0.0 0
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392098 135012857 1 NSO4C11H11 ABC4D11E11 -130.08 5.96 -9.68 -0.61 0
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392099 135012882 1 ClNSO4H14C16 ABCD4E14F16 -54.34 2.79 -9.17 -0.73 0
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392100 135012942 1 NO3H17C19 AB3C17D19 -11.62 3.51 -9.47 -1.43 0
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392101 135012945 1 NSiO7C22H35 ABC7D22E35 -281.62 4.74 -8.92 -1.45 0
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392102 135012958 1 NO2C13H13 AB2C13D13 -13.17 0.87 -9.2 -0.29 0
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392103 135012967 1 SO8C34H40 AB8C34D40 -262.95 4.53 -8.61 -0.15 0
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392104 135012982 1 N2O3C26H32 A2B3C26D32 -98.53 6.28 -8.36 0.46 0
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392105 135013006 1 O2C25H30 A2B25C30 19.14 3.06 -8.98 0.08 0
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392106 135013007 1 OC20H22 AB20C22 68.55 3.72 -9.05 -0.85 0
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392107 135013008 1 OC20H20 AB20C20 -16.38 3.07 -9.04 -0.2 0
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392109 135013025 22 CH AB 42.53 0.97 -8.45 -0.23 0
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392110 135013027 1 H22C23 A22B23 63.3 0.82 -8.48 -0.29 0
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392111 135013030 1 O5C22H22 A5B22C22 -131.12 2.79 -9.42 -0.76 0
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392112 135013038 1 ClO4H17C19 AB4C17D19 -122.29 1.79 -9.91 -1.17 0
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392113 135013055 1 S2Si2O3C37H66 A2B2C3D37E66 -287.67 5.28 -8.79 0.14 0
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392114 135013057 1 PO5C11H17 AB5C11D17 -227.25 5.56 -9.49 -0.51 0
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392115 135013061 1 N2F3O9C20H23 A2B3C9D20E23 -522.2 5.19 -9.74 -0.68 0
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392116 135013062 1 N3O5C11H13 A3B5C11D13 -153.37 8.53 -8.8 -0.48 0
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392117 135013064 1 N3O5C12H15 A3B5C12D15 -149.24 4.03 -9.11 -0.98 1
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392118 135013079 1 INOC15H15 ABCD15E15 35.87 11.04 0.0 0.0 0
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392119 135013085 1 O2H20C23 A2B20C23 -2.4 2.77 -8.66 -0.71 0
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392121 135013127 1 FSO4C14H15 ABC4D14E15 -160.62 4.13 -10.28 -0.69 0
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392122 135013145 2 N2O4C16H19 A2B4C16D19 -302.79 3.76 -8.68 -0.33 0
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392123 135013146 1 O3C23H28 A3B23C28 -117.72 0.9 -8.93 -0.55 0
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392124 135013165 2 O6C19H29 A6B19C29 -531.28 4.31 -9.3 -1.24 0
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392125 135013167 1 SiO2C13H28 AB2C13D28 -167.77 1.21 -8.83 1.22 0
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392126 135013177 1 IO2C11H13 AB2C11D13 47.69 3.27 -9.72 -1.01 0
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392127 135013180 1 O3C19H22 A3B19C22 -113.84 4.32 -9.48 0.08 0
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392128 135013181 1 N2O7H16C18 A2B7C16D18 -83.89 3.06 -10.17 -2.35 0
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392129 135013192 1 O2C11H14 A2B11C14 -47.92 4.65 -9.07 -0.33 0
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392130 135013193 1 ClSiO4C22H25 ABC4D22E25 -183.79 4.27 -9.52 -0.35 0
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392131 135013195 1 NSO3C20H25 ABC3D20E25 -98.56 7.04 -9.25 -0.32 0
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392132 135013196 1 NSO3C19H23 ABC3D19E23 -96.32 4.28 -9.4 -0.3 0
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392133 135013198 4 NOC9H11 ABC9D11 -102.7 3.77 -8.51 -0.4 0
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392134 135013210 1 BrClLiNSC3 ABCDEF3 51.09 7.15 -8.68 0.03 0
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392135 135013216 2 N2O2C12H13 A2B2C12D13 -81.79 3.34 -8.45 -0.24 0
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392136 135013225 1 N3C21H25 A3B21C25 38.12 3.59 -7.04 0.0 0
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392137 135013230 1 NO3C8H11 AB3C8D11 -104.6 4.44 -10.1 -0.17 0
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392138 135013234 1 NO3C17H23 AB3C17D23 -136.98 3.59 -8.66 -0.22 0
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392139 135013235 1 NO5C22H31 AB5C22D31 -242.76 3.53 -8.68 -0.22 0
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392140 135013238 1 IO4C20H21 AB4C20D21 -93.28 2.94 -9.29 -1.66 0
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392141 135013245 1 O2N3H21C25 A2B3C21D25 48.09 3.88 -8.78 -0.66 0
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392142 135013268 1 N4O6C27H40 A4B6C27D40 -280.76 4.05 -9.05 0.12 0
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392143 135013275 1 NO3H21C24 AB3C21D24 -48.64 4.68 -9.55 -0.56 0
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392144 135013293 1 O4C17H24 A4B17C24 -105.77 1.78 -9.45 0.82 0
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392145 135013313 16 CH AB 75.71 1.05 -8.94 -0.08 0
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392146 135013315 1 O2F3H13C18 A2B3C13D18 -153.11 3.94 -9.8 -1.07 0
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392147 135013328 1 O3C19H22 A3B19C22 -39.46 2.87 -8.84 -0.22 0
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392148 135013329 1 SO5C20H24 AB5C20D24 -126.86 4.66 -8.95 -0.32 0
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392149 135013331 1 O5C10H16 A5B10C16 -245.55 1.52 -10.12 0.59 1
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392150 135013332 1 ON2C7H13 AB2C7D13 -37.09 4.8 0.0 0.0 0
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392151 135013358 1 NO6C12H21 AB6C12D21 -233.88 4.58 -9.76 0.23 0
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392152 135013359 1 N2O3H12C17 A2B3C12D17 -18.06 3.41 -8.68 -0.74 0
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392153 135013364 1 NS2O4C14H27 AB2C4D14E27 -228.9 2.69 -8.85 -1.03 0
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392154 135013391 1 NO5H21C22 AB5C21D22 -109.98 3.4 -9.66 -1.54 -1