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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16081 459251 1 NOC9H11 ABC9D11 -3.41 2.82 -8.4 0.51 0
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16082 459273 1 BrNO2H10C15 ABC2D10E15 -14.5 3.54 -8.84 -1.69 0
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16083 459306 1 ClNO3C11H16 ABC3D11E16 -143.3 10.64 -8.45 -0.71 0
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16084 459330 1 NO2H15C19 AB2C15D19 -3.99 2.82 -8.83 -0.41 0
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16085 459340 1 NO3C31H31 AB3C31D31 -38.77 5.68 -8.9 -0.31 0
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16086 459370 1 NNaSO3C7H8 ABCD3E7F8 -162.09 11.09 -8.82 -0.21 0
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16087 459427 1 ON2H12C16 AB2C12D16 51.07 2.11 -9.21 -0.97 0
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16088 459478 1 ClC2N5H6 AB2C5D6 37.47 1.42 -10.24 -0.25 0
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16089 459615 1 NF3H12C17 AB3C12D17 -97.62 5.31 -9.18 -1.19 0
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16090 459623 1 NO4H9C17 AB4C9D17 -81.24 3.74 -9.48 -2.25 0
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16091 459666 1 ON2H8C9 AB2C8D9 -14.72 5.86 -9.02 -0.72 0
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16092 459777 1 NO3H13C16 AB3C13D16 -54.95 4.13 -8.44 -1.01 0
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16093 459781 1 NS2O8H13C20 AB2C8D13E20 -234.52 8.12 -9.76 -2.18 0
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16094 459782 1 N2H18C21 A2B18C21 87.47 2.17 -8.1 -0.65 0
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16095 459800 1 BrNOH8C15 ABCD8E15 51.73 0.49 -9.04 -1.22 0
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16096 459806 1 N2O3H8C10 A2B3C8D10 -97.7 4.48 -9.67 -0.74 0
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16097 459810 1 ClON3H8C10 ABC3D8E10 21.0 1.29 -9.37 -0.46 0
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16098 459881 2 ON3C9H11 AB3C9D11 4.06 6.12 -8.25 -0.72 0
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16099 459882 2 N2O4C23H29 A2B4C23D29 -311.52 0.64 -8.79 0.05 0
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16100 459883 1 N3O5C31H49 A3B5C31D49 -268.28 8.23 -8.9 0.29 0
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16101 459885 1 O3F4N5H17C20 A3B4C5D17E20 -233.02 11.63 -9.31 -1.63 0
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16102 459891 1 SN4H10C12 AB4C10D12 96.77 8.0 -9.12 -1.09 0
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16103 459903 1 N3O4C10H15 A3B4C10D15 -163.03 4.82 -9.56 -0.46 0
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16104 459912 1 IN2O5C10H13 AB2C5D10E13 -203.23 4.63 -9.85 -1.77 0
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16105 459916 2 N3H10C11 A3B10C11 139.82 1.58 -9.21 -1.14 0
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16106 459919 1 ON8C26H28 AB8C26D28 104.79 1.32 -8.97 -1.42 0
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16107 459930 1 O3C22H46 A3B22C46 -220.92 2.29 -9.82 1.84 0
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16108 459934 1 BrO3N7H22C25 AB3C7D22E25 10.17 7.11 -8.29 -1.2 0
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16109 459948 1 N9H19C21 A9B19C21 160.55 2.59 -8.78 -1.13 0
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16110 459954 1 NO6H13C19 AB6C13D19 -152.24 2.5 -8.74 -1.93 0
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16111 459956 1 ON4C28H36 AB4C28D36 30.77 1.89 -8.83 -0.85 0
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16112 459958 1 O3N4C30H40 A3B4C30D40 -55.16 3.07 -8.67 -0.9 0
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16113 459959 1 O3N4C28H36 A3B4C28D36 -37.07 4.1 -9.0 -0.91 0
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16114 459960 1 ON4C30H36 AB4C30D36 34.8 1.43 -8.79 -0.91 0
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16115 459980 1 N5C19H19 A5B19C19 100.03 4.6 -8.28 -0.72 0
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16116 459984 2 ON3C13H14 AB3C13D14 39.42 4.77 -8.74 -0.78 0
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16117 459985 1 N5O7C38H53 A5B7C38D53 -254.4 6.49 -8.84 -0.05 0
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16118 459994 1 O2N3H21C23 A2B3C21D23 38.18 2.63 -8.18 -0.79 0
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16119 459997 1 O2N3H23C24 A2B3C23D24 26.78 2.18 -8.2 -0.7 0
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16120 459999 1 O2N3H19C22 A2B3C19D22 47.15 5.06 -8.26 -0.8 0
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16121 460000 1 O2N3H19C22 A2B3C19D22 46.98 5.72 -8.19 -0.81 0
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16122 460008 1 ClON3H18C22 ABC3D18E22 68.58 7.43 -8.38 -0.91 0
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16123 460012 2 N2C14H15 A2B14C15 98.71 7.64 -7.96 -0.42 0
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16124 460027 1 ClN4H13C14 AB4C13D14 78.29 3.73 -8.6 -0.43 0
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16125 460047 1 O2N4H16C21 A2B4C16D21 52.03 2.73 -8.83 -0.95 0
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16126 460048 1 O3N4H18C22 A3B4C18D22 12.44 6.22 -8.69 -0.87 0
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16127 460052 1 ON4H16C21 AB4C16D21 97.37 3.46 -8.93 -0.94 0
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16128 460089 1 ClO2N3C17H18 AB2C3D17E18 -6.86 6.35 -9.35 -1.6 0
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16129 460106 1 O2N4F5H19C22 A2B4C5D19E22 -229.18 5.39 -9.9 -1.27 0
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16130 460107 1 F2O2N6H16C19 A2B2C6D16E19 -51.71 4.19 -9.95 -1.33 0
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16131 460108 1 O2F5N5H16C21 A2B5C5D16E21 -226.28 4.48 -10.08 -1.78 0
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16132 460109 1 F2O2N5H19C24 A2B2C5D19E24 -44.72 4.32 -8.76 -1.05 0
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16133 460110 1 ClF2O2N5H16C20 AB2C2D5E16F20 -74.17 3.28 -9.91 -1.4 0
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16134 460119 1 ClSF2O2N4H21C24 ABC2D2E4F21G24 -77.26 6.05 -9.32 -1.22 0
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16135 460130 1 N3O4C5H8 A3B4C5D8 -93.43 4.73 0.0 0.0 1
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16136 460140 1 ON3C11H13 AB3C11D13 19.48 2.8 -8.31 -0.58 0
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16137 460142 1 Cl2N3H7C9 A2B3C7D9 53.68 3.4 -8.97 -1.16 0
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16138 460143 1 Cl2N3H9C10 A2B3C9D10 42.78 2.3 -8.94 -1.22 0
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16139 460152 1 O3H15C16 A3B15C16 -14.96 2.4 0.0 0.0 0
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16140 460153 1 FeOCl2H14C19 ABC2D14E19 42.85 2.22 -9.06 -1.47 0
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16141 460155 1 FeO2H18C20 AB2C18D20 207.91 26.27 -6.01 -2.67 0
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16142 460157 1 FeO2H18C20 AB2C18D20 227.41 24.08 -5.56 -4.25 0
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16143 460169 1 FeNOH15C18 ABCD15E18 190.27 3.91 -7.76 -0.55 0
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16144 460170 1 NOH10C13 ABC10D13 71.77 1.07 0.0 0.0 0
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16145 460200 1 N5O6C44H55 A5B6C44D55 -203.27 9.31 -9.42 -0.3 0
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16146 460201 1 N5O6C40H55 A5B6C40D55 -246.44 2.86 -9.11 -0.02 0
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16147 460204 1 N5O6C48H55 A5B6C48D55 -181.61 7.68 -8.49 -0.26 0
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16148 460207 1 N5O7C44H55 A5B7C44D55 -242.39 10.06 -9.06 -0.28 0
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16149 460245 1 ClFN2O5C11H16 ABC2D5E11F16 -288.15 3.44 -10.38 -0.69 0
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16150 460250 1 PN6O7C42H63 AB6C7D42E63 -327.06 6.8 -9.44 -0.75 0
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16151 460263 1 PSN7O7C14H22 ABC7D7E14F22 -298.33 16.11 -9.02 -1.11 0
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16152 460264 1 FPN4O9C16H24 ABC4D9E16F24 -493.74 7.81 -9.37 -0.2 0
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16153 460279 1 Cl2O6C39H48 A2B6C39D48 -288.07 10.01 -9.75 -1.35 0
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16154 460283 2 NOC7H8 ABC7D8 -48.58 6.45 -9.36 -0.1 0
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16155 460289 2 NOC8H10 ABC8D10 -60.87 8.24 -9.65 -0.16 0
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16156 460314 1 N9O13C34H45 A9B13C34D45 -483.79 3.87 -9.72 -1.39 0
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16157 460340 2 N4C20H39 A4B20C39 -11.63 4.01 -8.42 0.42 0
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16158 460352 8 NC4H7 AB4C7 39.32 3.37 -8.19 -0.06 0
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16159 460356 1 BrN8C28H53 AB8C28D53 22.03 5.83 -8.57 -0.22 0
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16160 460358 2 Cl2N4C14H25 A2B4C14D25 -8.73 5.48 -8.76 -0.85 0
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16161 460359 1 FN8C28H53 AB8C28D53 -28.28 4.95 -8.48 -0.03 0
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16162 460366 1 S2O4N5C15H17 A2B4C5D15E17 -75.32 7.38 -9.1 -1.07 0
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16163 460376 1 O3N5H13C14 A3B5C13D14 39.13 6.17 -9.24 -1.56 0
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16164 460433 1 ClO3N4C18H27 AB3C4D18E27 -151.55 3.9 -9.47 0.2 0
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16165 460492 1 BrSN3C18H24 ABC3D18E24 41.95 2.53 -8.8 -0.63 0
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16166 460500 1 ClSO2N3H20C21 ABC2D3E20F21 -8.81 6.98 -9.16 -1.09 0
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16167 460642 1 NSH13C14 ABC13D14 52.1 0.98 -8.78 -0.4 0
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16168 460673 1 NC29H31 AB29C31 66.91 1.32 -8.62 -0.28 0
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16169 460710 1 ClSH3N4C8 ABC3D4E8 115.72 4.53 -9.64 -2.04 0
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16170 460720 3 OH4C5 AB4C5 -56.33 3.16 -8.8 -0.94 0
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16171 460734 1 N3O3H9C11 A3B3C9D11 41.02 10.65 -9.77 -0.96 0
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16172 460743 1 ClN4O5C6H7 AB4C5D6E7 -19.57 7.79 -11.19 -1.88 0
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16173 460953 1 N2O5C30H36 A2B5C30D36 -197.74 4.19 -9.32 -0.52 0
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16174 460957 1 N3O5C30H37 A3B5C30D37 -191.13 5.68 -9.2 -0.42 0
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16175 460958 1 N3O5C30H37 A3B5C30D37 -199.6 3.43 -9.3 -0.37 0
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16176 460965 1 ClN3O4C30H36 AB3C4D30E36 -163.83 3.58 -8.95 -0.24 0
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16177 460973 1 N2O4C33H34 A2B4C33D34 -98.44 4.0 -9.27 -0.18 0
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16178 460975 1 N3O5C34H37 A3B5C34D37 -142.13 4.68 -8.49 -0.32 0
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16179 460978 1 N5O6C35H39 A5B6C35D39 -190.4 7.15 -9.42 -1.49 0
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16180 460986 1 N2O4F5H19C22 A2B4C5D19E22 -334.19 10.05 -9.46 -1.32 0