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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233943 92252633 1 SO2N3C22H31 AB2C3D22E31 -77.53 2.76 -8.33 -0.25 0
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233944 92252634 1 SO2N3C22H31 AB2C3D22E31 -77.3 3.16 -8.3 -0.23 0
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233945 92252635 1 SO2N3C22H31 AB2C3D22E31 -78.39 2.26 -8.36 -0.27 0
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233946 92277579 2 N2O4C9H9 A2B4C9D9 -99.14 4.95 -9.25 -1.96 0
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233947 92297406 6 OC3H3 AB3C3 -186.4 6.34 -8.47 -0.28 0
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233948 92297407 1 O4H22C23 A4B22C23 -78.05 1.61 -8.31 -0.1 0
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233949 92297409 1 O5C24H24 A5B24C24 -124.65 1.84 -8.44 -0.22 0
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233950 92297411 1 ClN3O3C11H14 AB3C3D11E14 -50.8 3.5 -10.23 -1.51 0
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233951 92297412 1 SO4C23H32 AB4C23D32 -187.73 1.47 -7.98 0.07 0
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233952 92297415 2 O2H7C9 A2B7C9 -102.18 3.92 -9.86 -1.12 0
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233953 92297417 1 ON2S4C10H20 AB2C4D10E20 -23.41 6.33 -8.51 -0.51 0
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233954 92297418 1 NCl3C11H14 AB3C11D14 -14.91 3.72 -9.39 -0.55 0
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233955 92297420 1 NCl2C11H15 AB2C11D15 -4.92 4.66 -9.26 -0.12 0
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233956 92297421 1 SN2O4C11H14 AB2C4D11E14 -140.79 3.44 -9.66 -0.8 0
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233957 92297422 1 ClO3C12H13 AB3C12D13 -119.2 1.9 -9.67 -0.36 0
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233958 92297423 1 O3H14C15 A3B14C15 -77.08 1.19 -9.46 -0.31 0
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233959 92297427 1 OC22H30 AB22C30 -51.99 1.96 -8.46 0.44 0
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233960 92297429 1 O2H16C19 A2B16C19 -29.03 4.89 -9.37 -1.03 0
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233961 92297430 1 ON2C18H18 AB2C18D18 32.06 3.23 -9.56 -0.27 0
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233962 92297438 1 O2N3C6H7 A2B3C6D7 1.07 6.93 -9.72 -1.02 0
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233963 92297439 2 NOC8H8 ABC8D8 -26.7 7.15 -9.83 -1.4 0
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233964 92297440 1 NO3C10H15 AB3C10D15 -136.52 3.07 -10.09 0.51 0
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233965 92297441 1 NO3C10H15 AB3C10D15 -136.72 4.29 -10.17 0.57 0
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233966 92297443 1 ON4C8H8 AB4C8D8 29.73 2.55 -9.71 -1.11 0
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233967 92297444 1 ON4C8H10 AB4C8D10 -19.15 2.62 -9.21 -0.43 0
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233968 92297445 1 N2C13H18 A2B13C18 35.03 1.88 -8.3 0.01 0
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233969 92297446 1 NSC7H13 ABC7D13 3.87 4.72 -8.57 -0.53 0
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233970 92297448 1 ClO4C18H19 AB4C18D19 -142.01 3.19 -9.92 -1.92 0
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233972 92297452 1 ClON2C10H11 ABC2D10E11 -5.19 4.62 -9.16 -0.34 0
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233973 92297455 1 ClOSN2C17H23 ABCD2E17F23 -60.26 3.93 -8.68 -1.04 0
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233974 92297456 1 SN3C23H29 AB3C23D29 38.14 4.43 -8.48 -0.67 0
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233975 92297457 1 NS2C10H19 AB2C10D19 -22.95 5.84 -8.6 -0.36 0
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233976 92297459 1 NO3C14H19 AB3C14D19 -125.33 5.09 -9.22 -0.04 0
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233977 92297460 1 NO3C15H21 AB3C15D21 -124.22 2.27 -8.9 -0.02 0
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233978 92297462 1 NS2C10H19 AB2C10D19 -22.02 6.15 -8.59 -0.34 0
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233979 92297464 1 FNO2C18H22 ABC2D18E22 -87.08 3.04 -8.99 -0.03 0
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233980 92297465 1 FNO2C18H22 ABC2D18E22 -90.46 2.41 -8.94 0.05 0
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233981 92297466 1 SN2O6H14C17 AB2C6D14E17 -104.0 4.77 -9.08 -1.69 0
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233982 92297467 1 ClNO2S2H8C10 ABC2D2E8F10 -46.3 1.47 -9.36 -1.68 0
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233983 92297472 1 N2O3C19H20 A2B3C19D20 -68.11 2.95 -9.34 -0.45 0
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233984 92297473 1 SN3O3C21H23 AB3C3D21E23 -72.31 4.05 -8.71 -0.82 0
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233985 92297475 1 ClSO2N3H18C19 ABC2D3E18F19 -29.6 1.5 -9.2 -0.88 0
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233986 92297476 1 FSO2N3H18C19 ABC2D3E18F19 -65.71 1.71 -9.18 -0.94 0
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233987 92297477 2 NOSC6H8 ABCD6E8 -46.95 10.36 -8.28 -1.1 0
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233988 92297479 1 ON2C16H22 AB2C16D22 -42.13 4.4 -8.91 -0.06 0
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233989 92297480 1 BrNO3H16C19 ABC3D16E19 -39.72 3.69 -9.09 -1.18 0
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233990 92297481 1 NO6H19C22 AB6C19D22 -172.68 1.93 -8.98 -1.39 0
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233991 92297485 1 SN4O5C18H32 AB4C5D18E32 -243.69 2.97 -9.49 -0.25 0
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233992 92297486 1 SN4O5C18H32 AB4C5D18E32 -231.71 4.52 -9.13 -0.19 0
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233993 92297487 1 SN4O5C18H32 AB4C5D18E32 -237.63 6.89 -9.51 -0.39 0