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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61926 26715904 1 ClN2O5C20H23 AB2C5D20E23 -152.59 5.64 -8.82 -0.65 0
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61927 26715915 1 ClOF3N3C21H23 ABC3D3E21F23 -165.54 8.47 -8.77 -0.68 0
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61928 26715921 1 SN3O3C21H23 AB3C3D21E23 -75.61 2.73 -8.62 -0.29 0
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61929 26715928 1 F2N2O5C21H22 A2B2C5D21E22 -237.37 4.67 -8.96 -0.85 0
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61930 26715930 1 Cl2N2O5C22H22 A2B2C5D22E22 -182.9 4.62 -9.4 -1.0 0
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61931 26715934 1 N3O5H21C23 A3B5C21D23 -118.81 6.7 -8.57 -0.45 0
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61932 26715946 1 FSN3O5C20H24 ABC3D5E20F24 -192.99 4.54 -8.86 -1.19 0
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61933 26715956 1 ClSN2O5H23C25 ABC2D5E23F25 -163.44 1.86 -8.84 -0.66 0
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61934 26715970 1 N2O5C23H26 A2B5C23D26 -139.91 4.82 -8.36 -0.7 0
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61935 26715972 1 SN4O4H18C23 AB4C4D18E23 -39.7 4.22 -9.05 -1.41 0
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61936 26715990 1 ClSN3O5C18H20 ABC3D5E18F20 -136.25 9.45 -9.06 -1.28 0
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61937 26715992 1 SN3O5C20H25 AB3C5D20E25 -156.06 3.2 -8.86 -1.1 0
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61938 26715994 1 SN3O8C23H29 AB3C8D23E29 -326.86 12.01 -8.92 -1.0 0
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61939 26715995 1 SN3O5C19H23 AB3C5D19E23 -148.33 3.81 -9.02 -1.1 0
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61940 26715997 1 SN3O6C21H25 AB3C6D21E25 -164.33 7.87 -8.85 -0.98 0
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61941 26715999 1 SN3O7H23C24 AB3C7D23E24 -136.06 9.26 -8.92 -1.64 0
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61942 26716004 1 ClN2O5C23H27 AB2C5D23E27 -146.61 1.51 -8.6 -0.67 0
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61943 26716068 1 SN3O5C24H29 AB3C5D24E29 -135.95 6.27 -8.98 -0.93 0
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61944 26716107 1 ClNO3C22H26 ABC3D22E26 -85.19 5.78 -8.98 -0.56 0
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61945 26716108 1 ClNO3C22H26 ABC3D22E26 -84.28 7.21 -8.66 -0.32 0
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61946 26716109 1 SN3O5C25H25 AB3C5D25E25 -106.22 4.79 -8.96 -1.1 0
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61947 26716125 1 N4O5C22H26 A4B5C22D26 -73.07 8.35 -8.86 -1.08 0
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61948 26716126 1 ClN3O3H14C15 AB3C3D14E15 -53.18 4.93 -9.01 -1.09 0
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61949 26716131 1 BrN2O4H15C16 AB2C4D15E16 -66.64 2.02 -8.78 -1.2 0
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61950 26716170 1 N2O6C19H22 A2B6C19D22 -171.6 4.34 -8.7 -0.49 0
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61951 26716198 1 SN2O3H20C21 AB2C3D20E21 -42.97 3.84 -8.93 -0.91 0
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61952 26716204 1 N3O3C25H35 A3B3C25D35 -147.95 4.6 -8.88 0.12 0
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61953 26716206 1 SN3O6C22H27 AB3C6D22E27 -187.3 7.28 -9.0 -1.0 0
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61954 26716238 1 N2O3C18H24 A2B3C18D24 -97.86 1.05 -8.9 0.02 0
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61955 26716262 1 BrN2O4C18H19 AB2C4D18E19 -103.89 2.27 -8.92 -0.2 0
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61956 26716298 1 FN3O3C22H22 AB3C3D22E22 -97.41 3.02 -8.74 -0.68 0
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61957 26716308 1 ClN2O4H21C23 AB2C4D21E23 -81.5 1.56 -8.73 -0.62 1
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61958 26716316 1 BrO2N3C19H29 AB2C3D19E29 -84.9 8.04 0.0 0.0 0
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61959 26716318 1 BrO2N3C19H22 AB2C3D19E22 -96.88 6.71 -8.54 -0.34 0
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61960 26716327 1 SN2O4H22C25 AB2C4D22E25 -65.34 7.45 -9.22 -0.96 0
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61961 26716329 1 SN3O3C22H35 AB3C3D22E35 -134.17 7.69 -8.6 -0.29 0
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61962 26716331 1 SN3O3C19H31 AB3C3D19E31 -129.88 6.75 -8.6 -0.81 0
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61963 26716333 1 O3N4C19H28 A3B4C19D28 -37.7 9.04 -8.84 -1.09 0
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61964 26716334 1 SN2O5H22C23 AB2C5D22E23 -140.47 5.75 -9.45 -1.12 0
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61965 26716335 1 SN2O4C24H24 AB2C4D24E24 -103.69 8.69 -9.22 -1.08 0
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61966 26716338 1 ClSN2O3C23H23 ABC2D3E23F23 -78.42 6.26 -8.84 -1.03 1
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61967 26716339 1 SN3O3C25H36 AB3C3D25E36 -88.53 3.48 0.0 0.0 0
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61968 26716371 1 ClSN3O3C22H28 ABC3D3E22F28 -101.67 10.71 -8.73 -1.08 0
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61969 26716373 1 ClSN3O3C22H28 ABC3D3E22F28 -98.62 6.83 -8.63 -1.2 1
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61970 26716383 1 O2N4C21H31 A2B4C21D31 -47.03 17.68 0.0 0.0 1
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61971 26716386 1 SN4O5C22H29 AB4C5D22E29 -89.27 3.82 0.0 0.0 0
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61972 26716395 1 NO4H21C23 AB4C21D23 -89.63 6.96 -8.23 -0.55 0
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61973 26716420 1 FSN2O4C20H23 ABC2D4E20F23 -172.33 7.45 -8.89 -1.29 1
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61974 26716426 1 SO2N3C19H28 AB2C3D19E28 -83.51 9.71 0.0 0.0 1
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61975 26716434 1 O2N3C20H30 A2B3C20D30 -83.34 5.83 0.0 0.0 0
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61976 26716446 1 FNO3H20C23 ABC3D20E23 -113.25 2.66 -8.64 -0.39 0
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61977 26716451 1 SN3O4C24H33 AB3C4D24E33 -139.26 5.13 -8.82 -0.76 0
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61978 26716469 1 N2O5C20H22 A2B5C20D22 -131.55 4.43 -9.11 -0.68 0
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61979 26716470 1 ClSN2O5C22H25 ABC2D5E22F25 -188.0 3.79 -9.35 -1.38 0
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61980 26716475 1 N3O6C19H19 A3B6C19D19 -139.02 2.83 -9.56 -1.7 0
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61981 26716506 1 ClNO4H18C23 ABC4D18E23 -102.95 6.52 -9.03 -0.92 0
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61982 26716513 2 NO2C10H12 AB2C10D12 -145.13 2.26 -8.4 -0.12 0
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61983 26716559 2 NO2C11H12 AB2C11D12 -119.25 5.41 -8.7 -0.3 0
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61984 26716561 1 N2O3C20H22 A2B3C20D22 -78.78 2.83 -8.8 -0.4 0
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61985 26716575 1 ClSN4O5H15C16 ABC4D5E15F16 -122.2 4.83 -8.68 -1.49 0
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61986 26716593 1 N3O4H27C28 A3B4C27D28 -71.35 7.73 -8.9 -0.64 0
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61987 26716603 1 SN2O5C22H28 AB2C5D22E28 -202.33 6.2 -9.33 -0.67 0
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61988 26716605 1 N3O3C19H23 A3B3C19D23 -85.47 8.92 -8.93 -0.65 0
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61989 26716660 1 ClNO5H18C23 ABC5D18E23 -127.64 1.6 -8.6 -0.81 0
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61990 26716699 1 FNO4H18C19 ABC4D18E19 -143.3 2.5 -8.67 -0.81 0
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61991 26716706 1 SN2O5C20H24 AB2C5D20E24 -184.13 3.58 -9.42 -1.32 0
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61992 26716730 1 SN2O5C21H26 AB2C5D21E26 -187.79 7.37 -9.43 -1.31 0
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61993 26716737 1 N2O3H18C20 A2B3C18D20 -48.68 4.11 -9.3 -1.65 0
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61994 26716738 1 SN2O5C20H24 AB2C5D20E24 -187.14 4.2 -9.34 -0.93 0
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61995 26716750 1 SN2O5C26H26 AB2C5D26E26 -130.48 4.25 -8.61 -0.51 0
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61996 26716774 1 SN2O6C22H22 AB2C6D22E22 -172.29 6.25 -9.45 -1.42 0
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61997 26716803 1 NSO5C19H21 ABC5D19E21 -183.1 10.13 -8.96 -1.03 0
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61998 26716805 1 SN2O5C20H24 AB2C5D20E24 -181.35 7.74 -9.11 -0.87 1
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61999 26716829 1 ClSN3O5C23H29 ABC3D5E23F29 -156.37 3.43 0.0 0.0 0
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62000 26716834 1 ClSN2O5H15C21 ABC2D5E15F21 -47.72 5.19 -8.89 -1.93 0