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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410179 135082970 1 Mn2O6H12C17 A2B6C12D17 -2.99 1.05 -7.74 -2.15 0
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410180 135082971 1 C11H12 A11B12 69.76 0.77 -8.52 -0.98 0
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410181 135082972 4 C5H8 A5B8 -21.34 0.97 -8.6 1.52 0
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410183 135082974 1 O5C20H24 A5B20C24 -190.61 2.57 -9.75 -0.84 0
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410186 135082977 1 N2C21H26 A2B21C26 48.25 3.39 -8.18 0.3 0
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410187 135082978 1 N2Pt2S2C25H42 A2B2C2D25E42 158.21 8.28 -8.61 -1.57 0
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410188 135082979 1 O2C11H18 A2B11C18 -104.37 3.6 -9.18 0.29 0
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410189 135082980 1 NO3C11H15 AB3C11D15 -133.5 2.23 -9.22 0.1 0
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410192 135082983 1 ZrCl2C20H22 AB2C20D22 120.26 12.31 -6.46 -2.12 0
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410193 135082984 2 C10H11 A10B11 91.31 1.24 -8.3 -0.48 0
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410198 135082989 1 NC10H17 AB10C17 -0.69 2.48 -9.25 0.69 -1
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410201 135082992 1 NC11H21 AB11C21 -12.27 3.28 -9.81 0.46 -1
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410203 135082994 1 BNSi4C13H37 ABC4D13E37 -109.4 0.99 0.0 0.0 0
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410204 135082995 1 SN4O5H16C20 AB4C5D16E20 -73.44 6.5 -9.05 -2.08 0
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410205 135082996 1 BNOBr2C25H26 ABCD2E25F26 -82.68 7.97 -8.85 -0.82 0
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410206 135082997 2 H5C6 A5B6 125.6 1.71 -8.74 -0.26 0
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410207 135082998 3 C3H4 A3B4 121.27 2.02 -9.32 0.63 0
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410211 135083002 1 H32C45 A32B45 743.14 3.3 -6.77 -2.32 0
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410213 135083004 1 PC12H19 AB12C19 45.56 1.29 -7.83 2.99 0
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410214 135083005 1 CoO2P2C9H22 AB2C2D9E22 -181.26 13.73 0.0 0.0 0
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410215 135083006 1 ClN2O10H27C34 AB2C10D27E34 1.3 7.56 -7.93 -1.2 0
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410216 135083007 1 PC11H21 AB11C21 -25.94 1.7 -8.5 1.47 0
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410217 135083008 1 SO2H26C28 AB2C26D28 101.17 3.73 -9.0 -0.48 0
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410219 135083010 1 O21C46H62 A21B46C62 -570.45 3.73 -9.04 -0.21 0
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410221 135083012 1 OH12C15 AB12C15 49.82 1.65 -8.17 -0.91 0
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410222 135083013 1 OH12C15 AB12C15 88.73 2.83 -8.86 -0.99 0
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410223 135083014 1 NOC15H19 ABC15D19 -0.58 6.99 -8.47 0.15 0
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410224 135083015 1 NSC13H23 ABC13D23 12.63 6.85 -7.96 -0.45 0
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410225 135083016 1 NSiC20H33 ABC20D33 15.76 5.11 -7.53 -0.05 0
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410226 135083017 3 O8H38C43 A8B38C43 -645.61 6.45 -9.31 -1.01 0
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410227 135083018 2 NO3C15H22 AB3C15D22 -186.35 2.2 -9.17 -0.56 0
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410229 135083020 1 NF3O5C13H14 AB3C5D13E14 -294.21 5.33 -10.03 -1.51 0
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410230 135083021 1 ClON2C29H33 ABC2D29E33 46.55 11.26 -8.7 -0.77 0
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410231 135083022 1 NO6C12H21 AB6C12D21 -257.27 1.98 -9.91 0.81 0
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410233 135083024 1 AlClCrO3H14C15 ABCD3E14F15 -152.04 2.06 -7.95 -0.34 0
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410234 135083025 1 AlClC12H14 ABC12D14 -50.12 2.16 -9.01 0.5 -1
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410235 135083026 1 SVN2O8C38H61 ABC2D8E38F61 -430.45 3.16 -8.24 -0.97 0
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410236 135083027 1 SSnN2F3O4C20H21 ABC2D3E4F20G21 -256.63 6.3 -9.02 -1.15 -1
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410237 135083028 1 NPTiO6C28H33 ABCD6E28F33 -212.48 14.08 0.0 0.0 0
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410238 135083029 2 N2O3C27H28 A2B3C27D28 -90.55 6.88 -8.55 -1.4 0
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410239 135083030 2 N2O3C27H28 A2B3C27D28 -84.8 1.82 -8.56 -1.18 0
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410240 135083031 2 NOC20H21 ABC20D21 27.65 2.03 -8.1 -0.56 0
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410241 135083032 2 NOC20H21 ABC20D21 32.39 7.77 -7.99 -0.45 0
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410242 135083033 2 NOC11H13 ABC11D13 -31.16 9.52 -8.18 -0.59 0
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410243 135083034 1 O11C28H36 A11B28C36 -422.28 5.22 -8.32 -0.4 0
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410248 135083039 1 O2H24C33 A2B24C33 74.7 1.44 -8.68 -0.69 0
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410249 135083040 1 N2O5C34H34 A2B5C34D34 2.17 4.86 -9.33 -0.88 0
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410250 135083041 1 N2O5C12H18 A2B5C12D18 -132.78 3.59 -10.25 -0.98 0
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410251 135083042 1 SiN3O9C23H41 AB3C9D23E41 -391.45 3.42 -9.04 -0.12 0
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410252 135083043 1 SiN3O9C44H59 AB3C9D44E59 -295.31 0.72 -8.99 -0.15 0
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410253 135083044 1 PN2O9C10H15 AB2C9D10E15 -447.42 6.08 -9.95 -0.56 0
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410254 135083045 1 PN2O9C10H15 AB2C9D10E15 -451.36 7.1 -9.77 -0.34 0
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410255 135083046 1 C7O8H10 A7B8C10 -263.21 3.72 -10.61 -0.4 1
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410256 135083047 1 OSeC3H3 ABC3D3 2.88 1.02 0.0 0.0 0
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410257 135083048 1 NOC12H15 ABC12D15 20.64 3.99 -9.39 -0.18 0
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410258 135083049 1 NOC12H15 ABC12D15 46.99 2.99 -8.83 -0.24 0
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410259 135083050 2 FNC6H9 ABC6D9 -92.06 3.31 -9.32 -0.42 0
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410260 135083051 1 STeN3H9C13 ABC3D9E13 130.76 4.74 -8.9 -2.05 0
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410261 135083052 2 NaOH5C7 ABC5D7 -85.86 4.62 -5.34 0.69 0
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410262 135083053 1 BiNI2C9H12 ABC2D9E12 40.52 9.1 -8.78 -1.64 0
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410263 135083054 1 AuSF3C10H10 ABC3D10E10 -42.49 2.41 -7.94 -1.25 0
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410264 135083055 2 AuPC6H12 ABC6D12 31.83 13.46 -7.73 0.5 -1
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410265 135083056 1 PC6H12 AB6C12 24.41 4.13 0.0 0.0 -2
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410268 135083059 1 AuNC13H16 ABC13D16 149.74 1.71 -8.79 -0.64 0
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410269 135083060 1 AuPF5H15C26 ABC5D15E26 -23.47 9.04 -8.81 -1.06 -1
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410270 135083061 1 PAu2Cl2C14H14 AB2C2D14E14 188.78 6.81 0.0 0.0 0
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410274 135083065 1 PN2S2C27H27 AB2C2D27E27 87.99 7.18 -8.05 -0.86 0
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410276 135083067 1 AuPH22C23 ABC22D23 245.51 3.22 -8.64 -0.64 0
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410278 135083069 1 N2O7C24H24 A2B7C24D24 -232.54 2.19 -8.92 -0.8 0
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410279 135083070 1 BNO2C13H22 ABC2D13E22 -165.38 2.47 -8.57 1.32 0
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410281 135083072 1 BO4C18H25 AB4C18D25 -236.13 4.51 -9.18 -0.55 0
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410282 135083073 1 BO8C16H25 AB8C16D25 -420.38 4.61 -9.85 0.06 0
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410283 135083074 1 BGeC14H25 ABC14D25 22.63 0.48 -9.22 0.47 0
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410284 135083075 3 OC4H6 AB4C6 -106.93 4.54 -9.91 -0.35 0
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410285 135083076 2 OC7H7 AB7C7 -41.92 6.07 -9.49 -1.44 0
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410286 135083077 2 OC8H11 AB8C11 -80.72 1.35 -9.33 0.4 0
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410287 135083078 1 O3N4H12C13 A3B4C12D13 15.82 5.77 -9.11 -1.09 0
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410288 135083079 1 O3C18H22 A3B18C22 -127.98 3.29 -8.66 -0.02 0
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410289 135083080 1 PN2O5C9H17 AB2C5D9E17 -291.74 2.64 -10.42 -0.24 0
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410290 135083081 1 NSbO3Cl6C18H20 ABC3D6E18F20 -196.16 23.76 -10.09 -1.95 1
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410291 135083082 1 NO3C18H20 AB3C18D20 -66.33 2.47 0.0 0.0 0
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410292 135083083 1 NSbO3Cl6C16H24 ABC3D6E16F24 -239.09 23.56 -9.75 -2.39 1
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410293 135083084 1 NO3C16H24 AB3C16D24 -110.56 4.57 0.0 0.0 0
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410294 135083085 1 PN2H5C6 AB2C5D6 60.77 3.06 -8.42 -0.8 0
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410295 135083086 1 NPH8C11 ABC8D11 61.73 3.16 -7.99 -0.63 0
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410296 135083087 1 SO5C12H20 AB5C12D20 -242.36 2.02 -9.11 0.14 0
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410297 135083088 2 OC5H9 AB5C9 -119.29 3.44 -9.54 0.73 0
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410298 135083089 1 FeN8F16C32 AB8C16D32 -288.63 4.49 -8.94 -2.59 0
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410299 135083090 1 BO2C15H27 AB2C15D27 -171.55 1.97 -8.59 1.01 0
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410300 135083091 1 BO2C11H19 AB2C11D19 -110.2 1.19 -8.98 0.5 0
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410302 135083093 1 KC10H11 AB10C11 58.27 9.99 -6.11 0.18 0
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410305 135083096 1 O9C16H16 A9B16C16 -289.99 4.28 -10.73 -1.41 0
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410306 135083097 1 SF3O4C11H15 AB3C4D11E15 -341.21 3.87 -10.22 -1.4 0
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410310 135083102 1 Si2C11H24 A2B11C24 -50.92 0.57 -8.63 0.68 0
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410312 135083104 1 PC13H19 AB13C19 5.94 1.61 -8.79 -0.19 0
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410313 135083105 3 BNSi4C9H28 ABC4D9E28 -377.03 0.08 -7.09 -0.19 0
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410314 135083106 1 PbN2S4H18C26 AB2C4D18E26 193.55 3.67 -8.67 -2.37 0
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410315 135083108 1 B3N3Si4C14H42 A3B3C4D14E42 -227.54 0.2 -7.3 -0.1 0
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410316 135083109 1 BPSiC18H35 ABCD18E35 65.13 2.22 0.0 0.0 0
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410317 135083110 1 BLiO3Si4C12H36 ABC3D4E12F36 -322.11 6.22 -6.63 0.3 -1