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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35125 7979350 1 NO2C23H32 AB2C23D32 -42.96 1.54 0.0 0.0 0
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35126 7979351 1 NO2C23H31 AB2C23D31 -61.02 3.06 -8.68 0.07 1
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35127 7979352 1 NO3C22H30 AB3C22D30 -80.68 3.35 0.0 0.0 0
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35128 7979354 1 SN2O2C12H16 AB2C2D12E16 -52.11 0.48 -9.1 -0.98 0
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35129 7979357 1 ClNSO3H18C20 ABCD3E18F20 -86.57 1.68 -9.19 -0.43 0
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35130 7979362 2 NOSC7H7 ABCD7E7 -13.57 2.49 -9.02 -0.97 0
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35131 7979363 1 NSO5C17H17 ABC5D17E17 -179.63 6.99 -9.29 -0.45 0
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35132 7979364 1 SN2O2F3H11C15 AB2C2D3E11F15 -150.87 3.86 -9.11 -1.27 0
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35133 7979365 1 NF3O5H18C20 AB3C5D18E20 -301.25 7.82 -8.88 -1.08 0
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35134 7979366 1 NSO4C19H23 ABC4D19E23 -156.11 3.98 -9.06 -0.23 0
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35135 7979368 1 N3O5C19H21 A3B5C19D21 -113.11 5.93 -8.54 -0.3 0
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35136 7979369 1 SN2O2C11H12 AB2C2D11E12 -10.16 1.84 -9.32 -0.96 0
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35137 7979370 1 NSO4C19H23 ABC4D19E23 -151.94 2.7 -9.0 -0.18 0
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35138 7979371 1 SN2O4C16H16 AB2C4D16E16 -74.31 5.33 -8.8 -0.81 0
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35139 7979373 1 N3O4H21C22 A3B4C21D22 -58.56 9.13 -8.82 -0.72 0
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35140 7979374 1 SN2O3H14C15 AB2C3D14E15 -30.39 2.09 -9.12 -1.02 0
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35141 7979376 1 N3O5C16H17 A3B5C16D17 -105.97 4.01 -9.14 -0.79 0
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35142 7979377 1 ClNSO4H18C21 ABCD4E18F21 -112.42 2.94 -9.12 -1.0 0
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35143 7979378 1 ClNSO4H18C21 ABCD4E18F21 -114.94 4.11 -9.22 -0.93 0
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35144 7979380 1 SN2O2C14H18 AB2C2D14E18 -41.61 0.53 -9.01 -0.96 0
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35145 7979381 1 ClNSO4H18C21 ABCD4E18F21 -112.78 3.45 -9.22 -0.99 0
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35146 7979382 1 SN2O2C14H18 AB2C2D14E18 -42.34 1.53 -9.53 -1.04 0
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35147 7979385 1 SN2O4C22H22 AB2C4D22E22 -110.23 1.98 -9.09 -0.28 0
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35148 7979387 1 SN2O4C22H22 AB2C4D22E22 -108.79 3.65 -8.94 -0.32 0
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35149 7979388 1 S2N3O4C18H23 A2B3C4D18E23 -113.21 5.15 -9.24 -0.77 0
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35150 7979389 1 SN2O4C22H22 AB2C4D22E22 -112.17 2.68 -8.97 -0.14 0
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35151 7979390 1 S2N3O4C18H23 A2B3C4D18E23 -111.92 6.66 -9.49 -1.03 0
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35152 7979391 1 FNSO4H18C21 ABCD4E18F21 -150.72 4.28 -9.34 -1.04 0
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35153 7979392 1 SCl2N2O2H10C14 AB2C2D2E10F14 -5.08 3.15 -9.58 -1.22 0
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35154 7979393 1 FNSO4H18C21 ABCD4E18F21 -153.05 3.88 -9.16 -0.81 0
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35155 7979394 1 ClS2N3O3C17H18 AB2C3D3E17F18 -64.01 2.57 -8.67 -0.98 0
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35156 7979395 1 FNSO4H18C21 ABCD4E18F21 -154.26 0.34 -9.14 -0.82 0
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35157 7979397 1 SN2O5C19H22 AB2C5D19E22 -178.99 1.34 -8.98 -0.17 1
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35158 7979399 1 NO3C15H24 AB3C15D24 -75.0 3.5 0.0 0.0 0
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35159 7979401 1 S2N3O4C18H21 A2B3C4D18E21 -91.68 1.62 -8.73 -0.75 0
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35160 7979402 1 SN2O5C19H22 AB2C5D19E22 -180.57 4.35 -9.02 -0.2 0
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35161 7979403 1 SN2O5C19H22 AB2C5D19E22 -178.97 1.21 -8.99 -0.19 0
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35162 7979404 1 SN3O4C18H19 AB3C4D18E19 -94.05 3.5 -8.33 -0.93 2
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35163 7979406 1 ClN2O4C22H31 AB2C4D22E31 -105.31 8.11 -8.8 -0.04 0
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35164 7979407 1 ClN2O4C22H29 AB2C4D22E29 -119.16 4.32 -8.43 0.02 0
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35165 7979408 1 SO2N3H9C13 AB2C3D9E13 32.59 4.02 -9.33 -1.25 0
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35166 7979409 1 SN2O4C22H28 AB2C4D22E28 -164.56 4.91 -9.07 -0.23 2
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35167 7979410 2 NO2C11H16 AB2C11D16 -92.57 2.0 -8.22 0.32 0
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35168 7979411 2 NO2C11H15 AB2C11D15 -106.5 2.54 -8.47 0.22 0
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35169 7979413 1 SN2O4C22H28 AB2C4D22E28 -164.77 4.38 -9.08 -0.25 0
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35170 7979418 1 SN2O4C21H26 AB2C4D21E26 -154.09 4.87 -9.04 -0.22 2
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35171 7979419 2 NO2C11H16 AB2C11D16 -98.51 4.94 -8.59 -0.06 0
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35172 7979422 1 N2O4C19H22 A2B4C19D22 -114.61 4.37 -8.54 -0.54 0
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35173 7979423 1 SN2O4C21H26 AB2C4D21E26 -152.39 3.71 -9.06 -0.26 0
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35174 7979424 1 N2O4C19H22 A2B4C19D22 -111.42 3.51 -8.96 -0.39 0
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35175 7979425 1 SN2O4C22H28 AB2C4D22E28 -161.18 4.51 -9.02 -0.19 0
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35176 7979426 1 N3O4H17C18 A3B4C17D18 -64.99 5.49 -9.42 -0.76 0
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35177 7979427 1 SN2O4C22H28 AB2C4D22E28 -165.06 3.98 -8.88 -0.04 0
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35178 7979432 1 SN2O4C22H22 AB2C4D22E22 -128.38 4.9 -8.81 -0.51 0
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35179 7979433 1 N2O4H20C23 A2B4C20D23 -66.49 3.97 -8.87 -0.79 0
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35180 7979434 1 SN2O4C22H22 AB2C4D22E22 -128.44 6.39 -8.61 -0.62 0
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35181 7979436 1 SN2O4C22H22 AB2C4D22E22 -126.5 4.87 -8.79 -0.52 0
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35182 7979437 1 ClN2O4C21H25 AB2C4D21E25 -133.27 6.42 -9.15 -0.45 0
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35183 7979438 1 SN2O4C22H22 AB2C4D22E22 -127.56 4.6 -8.8 -0.46 0
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35184 7979440 1 S2N3O4C16H19 A2B3C4D16E19 -132.79 4.31 -9.01 -0.81 0
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35185 7979442 1 SN2O5C20H20 AB2C5D20E20 -146.58 2.23 -8.99 -0.17 0
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35186 7979443 1 F2N3O5C19H19 A2B3C5D19E19 -249.99 6.0 -9.18 -0.84 0
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35187 7979444 1 SN2O5C20H20 AB2C5D20E20 -149.83 2.7 -9.01 -0.17 0
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35188 7979448 1 SN2O5C20H20 AB2C5D20E20 -147.29 1.87 -8.98 -0.19 0
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35189 7979453 1 SN2O4C19H22 AB2C4D19E22 -121.26 3.16 -9.28 -0.49 0
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35190 7979455 1 SN3O4C20H23 AB3C4D20E23 -113.79 4.43 -8.83 -0.61 0
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35191 7979456 1 SN2O4C22H22 AB2C4D22E22 -124.1 3.39 -8.75 -0.56 0
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35192 7979457 1 N2O5H20C21 A2B5C20D21 -96.98 3.03 -9.06 -0.77 0
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35193 7979458 1 SN2O4C18H20 AB2C4D18E20 -121.85 3.48 -9.04 -0.25 0
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35194 7979461 1 ClN3O4C18H18 AB3C4D18E18 -108.06 3.11 -9.33 -0.68 0
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35195 7979462 1 SN2O4C18H20 AB2C4D18E20 -127.54 4.8 -9.32 -0.47 0
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35196 7979465 1 SN2O4H20C21 AB2C4D20E21 -115.01 5.7 -8.88 -0.55 0
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35197 7979467 1 N3O5C16H17 A3B5C16D17 -128.22 4.17 -9.32 -0.58 0
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35198 7979470 1 N3O5C20H25 A3B5C20D25 -189.62 2.57 -9.27 -0.35 0
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35199 7979472 1 N3O5C20H25 A3B5C20D25 -189.57 1.29 -9.27 -0.34 0