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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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35200 7979476 1 SN2O5C18H20 AB2C5D18E20 -144.82 4.24 -9.12 -0.82 0
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35201 7979477 1 SN2O4C22H22 AB2C4D22E22 -121.58 3.87 -9.35 -0.5 0
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35202 7979478 1 FSN2O4H19C21 ABC2D4E19F21 -162.4 5.49 -9.04 -0.63 0
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35203 7979480 1 FSN2O4H19C21 ABC2D4E19F21 -164.29 6.47 -9.0 -0.55 0
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35204 7979481 1 SN3O4C21H25 AB3C4D21E25 -107.19 3.25 -8.66 -0.61 0
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35205 7979484 1 FSN2O4H19C21 ABC2D4E19F21 -163.63 7.17 -8.92 -0.71 0
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35206 7979486 1 SN2O4C22H28 AB2C4D22E28 -167.19 4.47 -9.29 -0.48 0
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35207 7979492 1 SN2O4C20H24 AB2C4D20E24 -159.63 6.18 -9.38 -0.56 0
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35208 7979493 1 N2F3O3H15C17 A2B3C3D15E17 -219.28 5.46 -9.38 -0.97 0
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35209 7979494 1 SN2O4C20H24 AB2C4D20E24 -160.1 4.73 -9.3 -0.43 0
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35210 7979512 1 N2O3C15H20 A2B3C15D20 -102.4 2.23 -9.26 -0.3 0
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35211 7979514 1 NO7H21C22 AB7C21D22 -237.95 1.11 -8.38 -1.0 0
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35212 7979517 1 Cl2N2O3H16C17 A2B2C3D16E17 -80.33 5.59 -9.36 -0.52 0
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35213 7979518 1 NSO4C24H25 ABC4D24E25 -124.47 4.93 -9.11 -0.25 0
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35214 7979519 1 N2O3C18H20 A2B3C18D20 -77.55 1.96 -9.16 -0.34 0
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35215 7979525 1 ClFNO4C19H21 ABCD4E19F21 -233.96 5.21 -9.08 -0.64 0
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35216 7979526 1 SN2O4C19H22 AB2C4D19E22 -143.41 1.79 -9.08 -0.27 0
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35217 7979527 1 SN2O4C19H22 AB2C4D19E22 -145.93 5.65 -9.07 -0.21 0
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35218 7979530 1 SN2O4C19H22 AB2C4D19E22 -146.12 1.38 -9.21 -0.3 0
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35219 7979532 1 O5H16C17 A5B16C17 -149.11 4.7 -8.87 -0.53 0
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35220 7979533 1 SN2O4C19H22 AB2C4D19E22 -144.99 7.23 -9.35 -0.53 0
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35221 7979534 1 N2O3C19H22 A2B3C19D22 -76.53 3.35 -9.21 -0.41 0
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35222 7979535 1 N2O3C19H22 A2B3C19D22 -75.77 3.0 -9.22 -0.51 0
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35223 7979536 1 SN2O4C21H26 AB2C4D21E26 -158.84 4.87 -9.06 -0.23 0
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35224 7979537 1 SN2O4C21H26 AB2C4D21E26 -157.24 4.02 -8.93 -0.15 0
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35225 7979538 1 SN2O3C18H20 AB2C3D18E20 -69.11 4.74 -8.88 -0.48 0
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35226 7979539 1 SN2O4C21H26 AB2C4D21E26 -156.44 1.1 -9.02 -0.24 0
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35227 7979540 1 SN2O5C21H26 AB2C5D21E26 -196.91 2.68 -8.94 -0.09 0
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35228 7979541 1 N2F3O3H17C19 A2B3C3D17E19 -208.46 5.12 -9.35 -1.12 0
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35229 7979543 1 N2O6C21H26 A2B6C21D26 -181.25 3.31 -8.44 -0.32 0
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35230 7979544 1 ClN2O3H17C18 AB2C3D17E18 -54.28 2.68 -9.24 -0.94 0
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35231 7979545 1 NSO4H19C21 ABC4D19E21 -105.32 2.22 -9.05 -0.35 0
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35232 7979546 1 N2O5C20H22 A2B5C20D22 -128.63 2.15 -8.74 -0.52 0
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35233 7979547 1 SN2O3H20C21 AB2C3D20E21 -42.54 3.44 -8.94 -0.9 0
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35234 7979548 1 NSO4H19C21 ABC4D19E21 -103.32 2.53 -9.11 -0.7 0
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35235 7979549 1 NSO4H19C21 ABC4D19E21 -103.74 2.51 -8.99 -0.92 0
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35236 7979551 1 SN3O5C20H25 AB3C5D20E25 -158.06 6.25 -9.33 -0.42 0
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35237 7979552 2 NO2C10H11 AB2C10D11 -106.89 2.82 -8.81 -0.36 0
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35238 7979553 1 FNSO4H18C21 ABCD4E18F21 -152.64 4.72 -9.2 -0.52 0
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35239 7979554 1 FNSO4H18C21 ABCD4E18F21 -150.85 6.42 -9.16 -0.85 0
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35240 7979556 1 FNSO4H18C21 ABCD4E18F21 -150.01 3.13 -9.08 -1.01 0
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35241 7979560 1 SN2O4C22H28 AB2C4D22E28 -164.18 4.41 -8.89 -0.07 0
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35242 7979568 1 ClN3O4C19H20 AB3C4D19E20 -115.85 1.5 -9.26 -0.72 0
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35243 7979569 1 NSO4C22H23 ABC4D22E23 -126.25 2.86 -8.92 -0.19 0
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35244 7979570 1 ClN3O4C19H20 AB3C4D19E20 -118.49 5.69 -9.44 -0.63 0
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35245 7979575 1 NSO4C22H23 ABC4D22E23 -126.43 3.16 -9.1 -0.27 0
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35246 7979577 1 NSO3C21H21 ABC3D21E21 -88.8 1.59 -9.11 -0.25 0
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35247 7979578 1 ClN2O3C17H17 AB2C3D17E17 -75.8 4.16 -9.27 -0.34 0
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35248 7979579 1 NSO3C21H21 ABC3D21E21 -84.69 3.69 -9.12 -0.31 0
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35249 7979581 2 NO2C10H12 AB2C10D12 -117.02 0.99 -9.11 -0.33 0