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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12143 131285 1 O2C19H32 A2B19C32 -150.69 2.21 -9.99 0.78 0
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12144 131286 1 FON2C28H33 ABC2D28E33 -20.67 3.21 -8.72 0.06 0
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12145 131302 1 ON2C11H18 AB2C11D18 -36.37 1.15 -8.79 -0.29 0
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12146 131370 2 N2O4C13H18 A2B4C13D18 -352.34 5.16 -9.76 -0.02 0
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12147 131449 1 NOC24H34 ABC24D34 9.55 0.73 0.0 0.0 1
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12148 131450 1 N5O5C18H27 A5B5C18D27 -184.66 3.41 -9.08 -0.47 0
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12149 131458 1 NO8C34H57 AB8C34D57 -424.37 3.6 -8.83 1.01 0
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12150 131461 2 O2C14H23 A2B14C23 -222.34 2.99 -8.98 0.58 0
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12151 131467 2 NOC11H11 ABC11D11 34.3 4.89 -9.11 -0.31 0
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12152 131481 2 N2C4H7 A2B4C7 31.31 3.49 -8.24 0.42 0
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12153 131494 1 N3C15H38 A3B15C38 59.6 0.16 0.0 0.0 3
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12154 131497 1 N5O5C22H25 A5B5C22D25 -160.03 9.45 -9.7 -0.48 0
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12155 131502 1 NO5C37H49 AB5C37D49 -188.22 3.77 -8.5 -0.61 0
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12156 131511 1 O9H26C27 A9B26C27 -335.22 9.01 -9.45 -1.6 0
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12157 131520 1 N5O5C40H51 A5B5C40D51 -182.52 2.48 -9.04 -0.26 0
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12158 131604 1 NPO4C25H54 ABC4D25E54 -334.94 14.25 -9.49 -0.01 0
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12159 131621 1 ClFNOC19H21 ABCDE19F21 -61.56 2.93 -8.8 -0.2 0
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12160 131653 1 ON2C13H14 AB2C13D14 51.88 3.32 -8.15 -0.05 0
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12161 131661 1 PSN3O8C50H79 ABC3D8E50F79 -418.1 8.3 0.0 0.0 1
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12162 131711 2 O3C13H22 A3B13C22 -323.28 3.01 -9.43 0.49 0
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12163 131741 1 ClN5O7C29H38 AB5C7D29E38 -311.69 6.41 -8.35 -0.52 0
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12164 131747 1 ClN3C10H14 AB3C10D14 18.19 4.42 -8.68 -0.17 0
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12165 131767 1 OSN2H6C7 ABC2D6E7 27.75 5.48 -10.25 -1.37 0
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12166 131771 1 NO4C9H9 AB4C9D9 -75.88 3.89 -10.48 -1.38 0
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12167 131792 1 FN5O5C21H34 AB5C5D21E34 -299.86 4.87 -9.83 -1.12 0
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12168 131799 1 O3C30H50 A3B30C50 -190.97 1.76 -8.57 0.21 0
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12169 131800 1 AuClPC18H26 ABCD18E26 45.21 0.72 0.0 0.0 1
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12170 131838 2 O3C11H13 A3B11C13 -212.65 3.92 -9.25 -1.54 0
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12171 131849 1 FN4O6H21C23 AB4C6D21E23 -155.06 7.46 -9.49 -1.98 0
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12172 131860 1 OBr2N4H10C11 AB2C4D10E11 26.42 9.19 -9.2 -1.23 0
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12173 131861 3 O5C14H24 A5B14C24 -755.79 5.91 -9.08 0.53 0
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12174 131863 1 SO4C15H16 AB4C15D16 -123.84 5.17 -9.99 -0.56 0
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12175 131864 1 N3P3C17O17H22 A3B3C17D17E22 -879.76 5.6 -9.93 -1.14 0
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12176 131866 1 O7C23H28 A7B23C28 -293.54 3.28 -9.55 -0.58 0
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12177 131878 1 O5N7C23H23 A5B7C23D23 -78.67 2.61 -8.95 -0.87 0
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12178 131885 1 SN2P3C10O13H17 AB2C3D10E13F17 -756.89 11.9 -9.1 -1.01 0
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12179 131892 1 N7C16H17 A7B16C17 159.17 8.01 -8.21 -0.75 0
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12180 131894 1 N2O3C16H20 A2B3C16D20 -73.79 4.64 -9.29 -0.45 0
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12181 131902 1 N2O2C11H16 A2B2C11D16 -111.64 5.61 -9.68 -0.41 0
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12182 131912 1 O3N4H14C17 A3B4C14D17 56.74 9.23 -9.34 -1.31 0
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12183 131917 1 OCl3N4C6H13 AB3C4D6E13 -99.97 6.01 -9.71 -0.02 0
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12184 131945 2 O4C9H15 A4B9C15 -309.08 3.43 -10.8 -1.15 0
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12185 132026 2 O3C10H10 A3B10C10 -208.77 1.04 -9.55 -1.52 0
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12186 132038 1 O7C23H30 A7B23C30 -226.38 3.9 -8.55 -0.01 0
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12187 132041 1 BrN3O6C16H28 AB3C6D16E28 -315.97 1.64 -10.02 -0.64 0
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12188 132054 1 NS2O7H9C12 AB2C7D9E12 -135.35 10.61 -10.28 -4.57 -2
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12189 132079 1 N4O5C24H40 A4B5C24D40 -242.41 11.46 -9.64 -0.45 0
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12190 132095 1 S2N5O8C21H21 A2B5C8D21E21 -169.89 9.49 -8.92 -1.06 0
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12191 132111 1 N2H14C15 A2B14C15 63.59 4.45 -9.06 -0.7 0
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12192 132115 1 N2O5C34H59 A2B5C34D59 -286.14 2.53 0.0 0.0 1
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12193 132125 1 ClN3O3S3H16C18 AB3C3D3E16F18 -62.4 5.5 -8.96 -1.24 0
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12194 132137 1 O5N8C27H38 A5B8C27D38 -191.51 6.98 -9.03 -0.09 0
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12195 132147 1 NS3O4C12H13 AB3C4D12E13 -137.38 5.35 -9.25 -1.57 0
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12196 132163 1 O3N5H13C17 A3B5C13D17 -21.44 5.85 -9.02 -0.92 0
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12197 132168 1 O2N3C23H33 A2B3C23D33 -57.84 5.8 -8.38 -0.13 0
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12198 132192 2 OC10H15 AB10C15 -105.23 2.22 -9.71 0.88 0
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12199 132249 1 NaS3N5O10H20C21 AB3C5D10E20F21 -350.75 5.44 -9.36 -1.56 0
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12200 132251 1 O3H18C20 A3B18C20 -24.23 3.55 -8.7 -0.84 0
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12201 132252 1 NPCl2O4C15H24 ABC2D4E15F24 -231.28 5.39 -9.22 -0.47 0
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12202 132260 1 N11O12C58H81 A11B12C58D81 -467.06 4.49 -9.04 -0.43 0
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12203 132267 1 O5C23H24 A5B23C24 -154.81 2.76 -8.64 -0.64 0
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12204 132295 1 SN2O4C16H16 AB2C4D16E16 -82.3 5.47 -9.18 -1.12 0
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12205 132302 1 SO3N5C11H19 AB3C5D11E19 -80.73 6.39 -9.04 -0.34 0
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12206 132306 1 FNO4C23H24 ABC4D23E24 -165.6 2.45 -9.06 -1.02 0
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12208 132344 1 O18N23C62H105 A18B23C62D105 -848.57 6.02 -8.77 -0.19 0
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12209 132362 1 N2S2C7H12 A2B2C7D12 16.01 2.02 -8.89 -1.2 0
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12210 132363 1 Cl2O2N5C13H13 A2B2C5D13E13 -21.97 7.7 -9.48 -1.58 0
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12211 132385 1 BrN2O6H11C12 AB2C6D11E12 -168.0 6.56 -10.91 -1.77 0
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12212 132388 1 O22C49H78 A22B49C78 -1038.25 5.35 -9.51 0.33 0
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12213 132415 5 OH2C3 AB2C3 -153.92 3.21 -8.94 -1.57 0
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12214 132444 1 SCl2N4O8C24H28 AB2C4D8E24F28 -310.06 9.59 -9.01 -0.91 0
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12215 132453 1 C9O9H22 A9B9C22 -436.24 1.45 -10.64 1.34 0
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12216 132548 1 ClSO2N4C22H25 ABC2D4E22F25 3.16 5.42 -9.17 -1.5 0
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12217 132607 1 ISN5O5H30C36 ABC5D5E30F36 1.49 5.81 -9.09 -1.16 0
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12218 132608 1 O5N10C40H42 A5B10C40D42 -66.93 4.12 -7.81 -0.63 0
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12219 132609 1 NPO6C28H58 ABC6D28E58 -404.73 14.61 -9.29 -0.29 0
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12220 132642 1 O4C31H48 A4B31C48 -213.91 2.34 -8.06 0.14 0
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12221 132799 1 PCl2N2O5H9C14 AB2C2D5E9F14 -218.71 7.49 -9.2 -1.45 0
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12223 132900 1 SN4O11C29H42 AB4C11D29E42 -477.27 5.1 -9.45 -1.69 0
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12224 132943 1 N2O5C35H38 A2B5C35D38 -125.08 4.57 -9.45 -0.37 0
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12225 132962 1 O2F7C27H37 A2B7C27D37 -507.93 5.33 -9.51 0.15 0
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12226 133019 1 NOC27H47 ABC27D47 -122.74 3.55 -9.18 1.21 0
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12227 133035 1 OSN2Cl3C19H25 ABC2D3E19F25 -85.36 2.92 -8.91 -0.59 0
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12228 133103 1 N3O4C30H38 A3B4C30D38 -106.28 4.37 0.0 0.0 1
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12230 133140 1 F2N3Cl4O9C45H51 A2B3C4D9E45F51 -358.5 10.74 -9.44 -0.86 0
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12231 133154 1 IN2O7C18H21 AB2C7D18E21 -248.71 4.14 -9.12 -1.13 0
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12232 133157 3 OC9H12 AB9C12 -104.81 3.55 -8.19 0.77 0
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12233 133176 1 NOC10H18 ABC10D18 -8.56 3.94 0.0 0.0 1
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12234 133397 1 NO2C19H27 AB2C19D27 -101.27 1.31 -8.78 0.22 0
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12235 133402 1 NSO2C6H13 ABC2D6E13 -102.7 4.21 -9.19 0.08 0
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12236 133406 1 P2N5O16C17H27 A2B5C16D17E27 -773.5 3.21 -9.22 -0.66 0
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12237 133407 1 N4O4C19H22 A4B4C19D22 28.5 7.19 -9.05 -1.62 0
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12238 133408 1 O5C16H16 A5B16C16 -173.92 2.91 -9.11 -1.82 0
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12239 133409 1 O9C24H26 A9B24C26 -364.16 3.42 -8.47 -0.84 0
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12240 133410 1 O3N4C14H20 A3B4C14D20 -42.98 9.31 -8.79 -0.76 0
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12241 133412 1 ON2C10H10 AB2C10D10 22.58 1.84 -9.25 -0.19 0
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12242 133451 1 NPO9C44H86 ABC9D44E86 -534.78 5.09 -9.48 -0.38 0
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12243 133454 1 OC15H26 AB15C26 -94.06 2.15 -10.0 2.96 0
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12244 133465 2 O9C23H39 A9B23C39 -873.16 9.24 -9.16 0.1 0
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12245 133470 1 NPO4C9H12 ABC4D9E12 -220.87 7.19 -8.99 -0.29 0