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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412152 135085026 2 ON2C28H31 AB2C28D31 144.83 12.45 -6.3 -1.39 0
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412153 135085027 2 BrON2C28H31 ABC2D28E31 108.9 15.27 -7.85 -1.38 2
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412154 135085028 2 ON2C28H31 AB2C28D31 160.47 17.61 -5.89 -1.65 2
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412155 135085029 2 ON2C29H32 AB2C29D32 169.35 14.22 -5.78 -1.53 0
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412156 135085030 2 BrON2C29H32 ABC2D29E32 129.97 23.9 -7.7 -1.22 2
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412157 135085031 2 ON2C29H32 AB2C29D32 220.97 8.51 -3.56 -1.31 0
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412158 135085032 1 ClN2O2C35H35 AB2C2D35E35 14.24 12.51 -8.73 -1.49 0
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412159 135085033 1 BrN2O2C38H49 AB2C2D38E49 51.31 31.39 -6.3 -1.65 1
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412160 135085034 1 N2O2C38H49 A2B2C38D49 48.81 4.93 0.0 0.0 0
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412161 135085035 1 O2N4C25H32 A2B4C25D32 -32.18 4.1 -8.58 -0.61 -1
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412162 135085036 1 BFePF4C18H27 ABCD4E18F27 -361.15 20.12 0.0 0.0 2
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412164 135085038 1 O2Os2P2N4C30H53 A2B2C2D4E30F53 -154.74 13.67 0.0 0.0 0
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412165 135085039 1 NO2C15H26 AB2C15D26 -74.9 0.74 0.0 0.0 1
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412166 135085040 1 N3O4C27H30 A3B4C27D30 6.64 15.96 0.0 0.0 -1
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412167 135085041 1 YO2C5H9 AB2C5D9 -57.85 2.08 -5.9 -0.41 0
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412168 135085042 1 O4C13H16 A4B13C16 -154.36 1.81 -9.68 -0.01 0
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412170 135085044 1 O4C13H22 A4B13C22 -169.57 3.25 -10.12 0.0 0
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412171 135085045 1 O3C13H20 A3B13C20 -116.42 3.51 -9.76 0.04 0
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412172 135085046 1 N3C10H11 A3B10C11 66.08 2.91 -8.88 -0.87 0
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412173 135085047 1 SC14H14 AB14C14 77.09 1.97 -8.13 -0.31 0
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412174 135085048 1 O2C11H14 A2B11C14 -69.93 0.79 -9.25 0.44 0
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412175 135085049 1 O2C13H16 A2B13C16 -65.82 4.41 -8.74 0.36 0
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412176 135085050 1 NO3C13H17 AB3C13D17 -78.39 1.63 -9.35 -0.52 0
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412177 135085051 1 C15H16 A15B16 66.23 2.09 -8.92 0.43 0
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412178 135085052 1 ClOC15H19 ABC15D19 -22.51 3.89 -9.6 -0.24 0
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412179 135085053 1 OSC8H8 ABC8D8 6.21 0.54 -9.29 -0.69 0
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412182 135085056 1 ClON3C27H28 ABC3D27E28 66.85 11.74 -7.87 -1.53 0
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412184 135085059 1 FeN2C26H40 AB2C26D40 199.97 7.58 -7.37 -0.94 0
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412185 135085060 2 BrNOSC14H17 ABCDE14F17 -49.92 15.8 -8.6 -0.98 -1
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412186 135085061 1 NOH14C15 ABC14D15 46.79 0.31 0.0 0.0 0
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412187 135085062 1 NOC15H15 ABC15D15 27.39 6.22 -8.2 -0.43 0
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412188 135085063 1 PdCl2N2C36H36 AB2C2D36E36 199.51 3.94 -7.21 -0.56 0
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412189 135085064 2 NC18H18 AB18C18 123.54 0.54 -9.13 0.21 -2
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412190 135085065 1 IrSN2O2C15H16 ABC2D2E15F16 176.51 28.4 0.0 0.0 0
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412191 135085066 1 N3O3C29H41 A3B3C29D41 -109.32 1.14 -9.14 -0.34 0
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412192 135085067 1 NVO6C23H41 ABC6D23E41 -304.85 8.44 0.0 0.0 0
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412193 135085068 1 NO3C21H33 AB3C21D33 -157.84 3.72 -8.43 -0.88 0
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412194 135085069 1 ScO2N3H19C25 AB2C3D19E25 125.4 4.62 0.0 0.0 0
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412195 135085070 1 ClNORuC15H17 ABCDE15F17 119.34 5.78 0.0 0.0 0
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412197 135085072 1 N3O3C28H39 A3B3C28D39 -105.31 4.45 -9.23 -0.63 2
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412198 135085073 1 N7O7C36H45 A7B7C36D45 -251.29 10.71 -8.98 0.17 1
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412199 135085074 1 N7O7C36H44 A7B7C36D44 -186.24 5.1 0.0 0.0 -1
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412200 135085075 1 NORh2C6H12 ABC2D6E12 1.55 17.36 0.0 0.0 -4
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412202 135085077 1 TiN2C18H19 AB2C18D19 123.23 5.47 0.0 0.0 0
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412203 135085078 1 NCl3O4C13H14 AB3C4D13E14 -185.84 2.69 -10.13 -0.74 0
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412204 135085079 1 NCl3O4C16H20 AB3C4D16E20 -198.52 4.0 -9.78 -0.45 0
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412205 135085080 1 NCl3O4C18H24 AB3C4D18E24 -205.63 3.22 -9.77 -0.41 0
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412206 135085081 1 NCl3O5C22H32 AB3C5D22E32 -274.51 9.18 -8.92 -0.56 0
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412207 135085082 1 N2O2C85H88 A2B2C85D88 53.35 2.7 -8.41 0.29 0
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412208 135085091 2 PPdO2C23H25 ABC2D23E25 61.7 10.52 -6.2 -1.74 0
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412209 135085092 1 PPdO2H9C12 ABC2D9E12 77.12 8.73 -7.25 -1.94 0
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412210 135085093 1 RuN3O3C21H21 AB3C3D21E21 -3.76 5.89 -7.87 -2.35 0
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412211 135085094 1 FeSiS2N5F6O6C34H49 ABC2D5E6F6G34H49 -543.78 15.21 -8.41 -1.17 0
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412212 135085095 1 SiN5C32H49 AB5C32D49 14.53 3.14 -8.3 0.02 4
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412213 135085096 1 CuN12H24C32 AB12C24D32 495.8 4.08 0.0 0.0 0
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412214 135085097 1 AlLiNC21H45 ABCD21E45 -136.02 5.01 -6.89 2.43 -1
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412215 135085098 1 AlNC21H45 ABC21D45 -105.92 1.86 0.0 0.0 1
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412216 135085099 1 LiC20H25 AB20C25 23.86 6.88 -7.87 0.94 0
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412217 135085100 5 C4H5 A4B5 45.13 0.97 0.0 0.0 0
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412218 135085101 2 OSC7H13 ABC7D13 -96.64 0.59 -8.21 0.74 0
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412219 135085102 1 O5C12H20 A5B12C20 -228.35 2.14 -10.17 0.55 0
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412220 135085103 1 OH2Si2Cl4 AB2C2D4 -265.32 0.53 -11.46 -0.69 0
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412221 135085104 1 NPPdO2C43H64 ABCD2E43F64 -36.53 1.88 -6.92 0.1 0
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412222 135085105 1 NSO2C13H19 ABC2D13E19 -75.05 4.49 -9.46 -0.28 0
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412223 135085106 1 ClNSO2C10H14 ABCD2E10F14 -57.0 6.43 -9.42 -0.7 1
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412224 135085107 1 NOC9H12 ABC9D12 -14.74 2.07 0.0 0.0 0
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412225 135085108 1 NSSiO2C8H19 ABCD2E8F19 -110.74 4.3 -9.81 0.54 0
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412226 135085109 1 PO3C11H23 AB3C11D23 -192.9 6.88 -9.89 0.79 0
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412227 135085110 1 O3C15H26 A3B15C26 -172.09 0.37 -9.43 2.3 0
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412228 135085111 1 NOC11H19 ABC11D19 -46.22 2.94 -9.76 0.14 0
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412229 135085112 1 O3C13H20 A3B13C20 -95.04 1.6 -10.2 -0.19 0
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412230 135085113 1 ClNO3C11H14 ABC3D11E14 -133.72 3.64 -9.64 -0.82 0
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412231 135085114 2 NOH4C6 ABC4D6 44.06 3.39 -8.76 -1.68 0
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412233 135085117 1 N3O6C33H38 A3B6C33D38 -95.41 9.85 0.0 0.0 0
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412234 135085118 1 AuSN2F3O3C28H36 ABC2D3E3F28G36 -185.61 12.12 -9.42 -0.73 0
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412235 135085119 1 CrNPO4H26C34 ABCD4E26F34 163.79 3.18 -6.92 -0.07 0
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412236 135085120 1 CoN2O2C36H56 AB2C2D36E56 -162.16 32.29 0.0 0.0 0
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412237 135085121 1 AlClN2O2H38C46 ABC2D2E38F46 -16.78 9.97 -7.59 -1.6 0
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412238 135085122 2 RhN2O6C12H20 AB2C6D12E20 -597.93 32.47 -9.34 -2.92 0
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412240 135085124 1 CrNPO4H22C28 ABCD4E22F28 38.16 2.51 -6.33 -0.17 0
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412241 135085125 1 CrNPO5H26C34 ABCD5E26F34 34.05 2.63 -8.2 -0.61 0
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412243 135085127 1 C19H25 A19B25 13.95 0.77 0.0 0.0 -2
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412245 135085129 1 BON3F4C21H22 ABC3D4E21F22 -319.64 15.17 -10.09 -1.24 -2
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412247 135085131 1 C19H26 A19B26 15.26 0.93 -8.19 -0.47 0
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412248 135085132 1 FeN2H50C51 AB2C50D51 459.24 6.9 -7.52 -0.9 0
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412249 135085133 1 PC24H39 AB24C39 -71.82 1.52 -8.2 0.64 0
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412250 135085134 1 BON3F4C19H20 ABC3D4E19F20 -272.74 27.6 -9.46 -2.76 0
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412251 135085135 1 GaLiO4H24C40 ABC4D24E40 -80.24 6.88 -8.36 -1.02 -1
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412252 135085136 1 GaO4H24C40 AB4C24D40 -4.51 9.0 0.0 0.0 -1
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412253 135085137 1 NTaCl4C7H8 ABC4D7E8 -103.42 1.97 -8.04 -1.15 0
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412257 135085141 1 AuPSbO3F6H15C18 ABCD3E6F15G18 -377.7 14.36 -10.2 -2.47 0
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412258 135085142 1 CuFPO2C20H23 ABCD2E20F23 -47.17 7.0 -8.16 -0.34 0
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412259 135085143 1 OPN2F4H29C44 ABC2D4E29F44 -39.05 3.64 -9.26 -0.96 0
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412260 135085144 1 OPCl2N2F4H27C44 ABC2D2E4F27G44 -62.56 4.95 -8.72 -1.04 0
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412261 135085145 1 FePC22H31 ABC22D31 188.99 8.86 -7.03 -0.78 0
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412262 135085146 1 NiPCl2N2C45H53 ABC2D2E45F53 17796.95 8.96 -5.76 -0.66 0
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412264 135085148 1 AlN2O3C36H54 AB2C3D36E54 -124.4 7.17 0.0 0.0 0
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412265 135085149 1 AlN2O2C36H52 AB2C2D36E52 -140.15 4.89 0.0 0.0 3
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412268 135085152 2 C4H5 A4B5 44.54 0.28 -9.45 1.2 0
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412269 135085153 1 SO2N6C41H48 AB2C6D41E48 52.89 4.84 -8.59 -0.85 0