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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175289 75879971 1 ClSN3O3C22H29 ABC3D3E22F29 -77.64 6.35 0.0 0.0 0
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175290 75879972 1 ClSN3O3C22H28 ABC3D3E22F28 -93.04 1.78 -8.69 -1.16 1
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175291 75879973 1 O2N4C27H35 A2B4C27D35 -23.42 5.52 0.0 0.0 0
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175292 75879974 1 O2N4C27H34 A2B4C27D34 -30.33 1.71 -8.66 -0.57 1
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175293 75880007 1 ON4C25H33 AB4C25D33 20.99 8.78 0.0 0.0 0
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175294 75880422 1 ClF2N2O4C21H21 AB2C2D4E21F21 -240.77 4.65 -8.52 -0.47 0
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175295 75880603 2 NOC12H14 ABC12D14 -44.67 6.9 -8.76 -0.2 0
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175296 75880604 1 SN2O4C24H28 AB2C4D24E28 -127.9 4.78 -8.85 -0.36 0
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175297 75880605 1 ClO2N4C23H25 AB2C4D23E25 -16.0 3.17 -9.25 -0.82 0
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175298 75880606 1 SO3N4C24H28 AB3C4D24E28 -41.73 4.29 -9.12 -0.93 0
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175299 75880607 1 O2N4H20C21 A2B4C20D21 10.68 4.16 -8.76 -0.97 0
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175300 75880608 1 SO2N6H22C24 AB2C6D22E24 68.0 8.88 -9.14 -0.77 0
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175301 75880772 1 ON6C24H32 AB6C24D32 25.67 7.55 -9.22 -0.82 1
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175302 75880773 1 SN3O3C24H32 AB3C3D24E32 -53.3 4.56 0.0 0.0 0
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175303 75880912 1 N3O3C28H39 A3B3C28D39 -138.5 3.58 -8.37 -0.28 0
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175304 75880961 1 OSN2C21H26 ABC2D21E26 4.86 2.34 -8.37 -0.83 1
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175305 75880962 1 ClO2N3C25H33 AB2C3D25E33 -71.01 3.01 0.0 0.0 0
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175306 75880963 1 ClO2N3C25H32 AB2C3D25E32 -81.88 5.15 -8.68 -0.31 0
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175307 75881091 1 N4O6C23H30 A4B6C23D30 -189.58 3.38 -8.43 -0.47 1
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175308 75881092 1 BrSO2N3C21H27 ABC2D3E21F27 -51.02 3.94 0.0 0.0 0
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175309 75881093 1 BrSO2N3C21H26 ABC2D3E21F26 -55.07 2.31 -8.62 -0.7 1
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175310 75881094 1 IO2N3C18H21 AB2C3D18E21 -16.02 3.63 0.0 0.0 0
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175311 75881397 2 NOC11H16 ABC11D16 -103.81 3.68 -8.54 -0.48 0
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175312 75881504 1 ClFN3O4C22H25 ABC3D4E22F25 -175.97 3.13 -8.79 -0.61 0
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175313 75881711 1 BrSN2O2C17H21 ABC2D2E17F21 -8.75 1.33 -8.68 -1.01 1
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175314 75881712 1 SN2O2C20H27 AB2C2D20E27 -18.55 2.58 0.0 0.0 1
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175315 75881876 1 N2O3C20H33 A2B3C20D33 -106.11 3.66 0.0 0.0 0
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175316 75882780 1 SN2O5C22H28 AB2C5D22E28 -171.67 4.73 -9.26 -0.89 0
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175317 75882781 2 NSO2C11H15 ABC2D11E15 -143.3 6.07 -8.48 -0.76 0
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175318 75882782 1 FSN3O4C22H26 ABC3D4E22F26 -177.23 3.43 -9.26 -0.37 -1
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175319 75882783 1 NO3H16C20 AB3C16D20 28.0 25.37 0.0 0.0 0
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175320 75882784 1 NO3H17C20 AB3C17D20 -42.08 2.28 -8.69 -0.82 -1
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175321 75882785 1 BrO4H14C18 AB4C14D18 -21.75 7.01 0.0 0.0 0
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175322 75882786 1 BrO4H15C18 AB4C15D18 -96.36 4.14 -9.22 -1.04 -1
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175323 75882787 1 O4H17C19 A4B17C19 -47.46 12.45 0.0 0.0 0
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175324 75882788 1 O4H18C19 A4B18C19 -107.44 6.47 -9.06 -0.73 0
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175325 75883272 1 F2O2N3C22H25 A2B2C3D22E25 -156.13 3.46 -8.68 -0.67 0
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175326 75883316 1 ClN2O2H15C21 AB2C2D15E21 34.12 7.72 -9.17 -1.26 0
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175327 75883317 1 ClN2O4H23C26 AB2C4D23E26 -48.28 7.15 -8.98 -0.95 0
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175328 75883627 1 FN2O5C24H29 AB2C5D24E29 -243.57 7.3 -8.9 -0.1 0
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175329 75883646 1 FSN2O4H21C23 ABC2D4E21F23 -142.08 1.48 -9.3 -1.01 0
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175330 75884015 1 N2O5C25H30 A2B5C25D30 -165.75 6.17 -9.02 -0.39 0
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175331 75884016 1 SN3O3C22H23 AB3C3D22E23 -56.2 4.98 -8.9 -0.94 0
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175332 75884317 3 NOC9H9 ABC9D9 -59.98 5.52 -9.21 -0.49 1
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175333 75884448 1 OSN3C20H26 ABC3D20E26 27.15 3.32 0.0 0.0 0
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175334 75884459 1 N2O4C25H32 A2B4C25D32 -108.83 3.8 -8.56 -0.64 1
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175335 75884600 1 N2O3C21H35 A2B3C21D35 -125.82 4.63 0.0 0.0 0
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175336 75884601 1 N2O3C21H34 A2B3C21D34 -138.42 7.21 -8.51 -0.2 1
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175337 75884602 1 OSN2C19H27 ABC2D19E27 -26.96 7.39 0.0 0.0 0
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175338 75884791 1 SF3N3O4C20H20 AB3C3D4E20F20 -248.24 9.31 -9.65 -2.07 0