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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142934 53118897 1 S2N3O4C19H31 A2B3C4D19E31 -151.1 2.91 -9.1 -0.88 0
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142935 53120205 1 SN3O4C22H23 AB3C4D22E23 -85.54 5.42 -9.18 -0.84 0
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142936 53120206 1 SN3O4C23H23 AB3C4D23E23 -83.47 5.92 -8.95 -0.91 0
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142937 53120207 1 SN3O4C23H25 AB3C4D23E25 -91.57 6.56 -8.83 -0.88 0
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142938 53120208 1 SN3O4C23H25 AB3C4D23E25 -89.49 7.72 -8.88 -0.94 0
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142939 53120209 1 SN3O5C21H21 AB3C5D21E21 -110.98 5.7 -8.81 -0.88 0
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142940 53120210 1 SN3O4H19C20 AB3C4D19E20 -75.63 5.78 -8.89 -0.89 0
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142941 53120211 1 SN3O4H21C22 AB3C4D21E22 -67.02 5.29 -8.97 -0.92 0
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142942 53120628 2 NO2C13H13 AB2C13D13 -96.35 3.01 -8.68 -0.52 0
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142943 53120629 1 N2O3C26H26 A2B3C26D26 -60.71 0.85 -8.9 -0.48 0
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142944 53120630 1 N2O5C27H28 A2B5C27D28 -140.23 2.79 -9.02 -0.54 0
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142945 53120631 1 N2O5C28H28 A2B5C28D28 -147.17 0.89 -8.9 -0.72 0
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142946 53120632 2 NO2C12H12 AB2C12D12 -92.91 1.27 -8.93 -0.56 0
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142947 53120633 1 N2O3C22H26 A2B3C22D26 -95.43 2.46 -9.05 -0.46 0
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142948 53120914 2 ON3C12H13 AB3C12D13 33.11 2.52 -9.13 -0.68 0
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142949 53120915 2 ON3C12H15 AB3C12D15 -12.66 1.71 -8.99 -0.64 0
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142950 53120932 1 FO3N6C23H27 AB3C6D23E27 -97.43 3.32 -9.28 -0.85 0
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142951 53121259 1 SN4O6C22H24 AB4C6D22E24 -182.07 6.16 -9.24 -1.2 0
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142952 53121268 1 SN3O5C21H21 AB3C5D21E21 -115.75 4.92 -9.43 -1.26 0
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142953 53121504 1 O3N6C22H28 A3B6C22D28 -9.21 4.6 -9.42 -0.98 0
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142954 53121529 1 ClO4N6H21C22 AB4C6D21E22 0.9 4.98 -9.23 -1.23 0
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142955 53121621 2 N2O2C10H11 A2B2C10D11 -103.62 4.73 -8.7 -1.25 0
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142956 53121885 1 ClN3O4C22H22 AB3C4D22E22 -60.94 6.52 -8.92 -0.98 0
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142957 53123010 1 SO3N5C23H25 AB3C5D23E25 -0.73 4.67 -8.13 -0.5 0
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142958 53123211 1 FSO2N5C21H26 ABC2D5E21F26 -50.83 7.07 -8.48 -0.7 0
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142959 53123226 1 OSF2N5H23C24 ABC2D5E23F24 -29.67 5.24 -8.61 -0.82 0
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142960 53123227 1 FOSN5C26H28 ABCD5E26F28 10.87 9.02 -8.47 -0.61 0
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142961 53123540 1 FO3N6C22H23 AB3C6D22E23 -69.84 4.28 -9.61 -1.41 0
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142962 53123583 1 O2N5C20H23 A2B5C20D23 11.93 4.0 -9.25 -1.01 0
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142963 53124356 1 N2S2O3H14C17 A2B2C3D14E17 -27.67 3.44 -9.58 -1.21 0
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142964 53124671 1 ClNS2O4H16C19 ABC2D4E16F19 -85.85 7.57 -9.18 -1.47 0
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142965 53124855 1 ClSN3O5C23H26 ABC3D5E23F26 -183.43 5.5 -8.86 -1.13 0
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142966 53124949 1 SN4O5C23H28 AB4C5D23E28 -167.79 4.39 -9.28 -1.05 0
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142967 53125068 1 FSO2N4C21H25 ABC2D4E21F25 -85.33 5.55 -8.4 -0.91 0
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142968 53125113 1 SO2N4C21H24 AB2C4D21E24 1.66 5.11 -8.38 -0.96 0
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142969 53125154 1 O2N5C19H21 A2B5C19D21 20.01 2.89 -9.28 -0.99 0
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142970 53125239 1 OF3N5H14C21 AB3C5D14E21 -39.75 8.04 -9.16 -1.5 0
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142971 53125240 1 OF3N5H14C21 AB3C5D14E21 -46.27 4.94 -9.46 -1.52 0
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142972 53125241 1 SO2N5C20H21 AB2C5D20E21 31.84 8.74 -8.59 -1.03 0
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142973 53125480 1 SN2O5H18C19 AB2C5D18E19 -102.12 13.45 -9.43 -1.0 0
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142974 53125481 1 SN2O3H16C18 AB2C3D16E18 -36.24 14.79 -9.37 -0.98 0
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142975 53125721 1 ClSO3N5H14C21 ABC3D5E14F21 40.72 3.65 -9.06 -1.22 0
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142976 53125765 1 SO3N5H17C18 AB3C5D17E18 1.07 3.54 -9.01 -1.07 0
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142977 53125971 1 SO3N4C18H18 AB3C4D18E18 -29.02 6.41 -9.04 -1.14 0
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142978 53125986 1 SN3O3C17H17 AB3C3D17E17 -18.78 4.37 -9.0 -1.0 0
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142979 53125987 1 SN3O3C18H19 AB3C3D18E19 -24.91 4.5 -8.91 -1.03 0
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142980 53126213 1 N2O4H20C21 A2B4C20D21 -32.93 4.69 -8.53 -0.79 0
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142981 53126427 1 S2N4O4C21H22 A2B4C4D21E22 -42.26 3.91 -9.26 -1.43 0
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142982 53126721 1 FO2N5H22C24 AB2C5D22E24 30.08 1.63 -8.54 -0.96 0
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142983 53127066 1 N3O4H17C19 A3B4C17D19 -42.49 5.74 -8.8 -1.19 0
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142984 53127183 1 N3O4H19C20 A3B4C19D20 -40.18 3.66 -8.85 -1.09 0
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142985 53127416 1 S2N4O4C19H20 A2B4C4D19E20 -50.75 5.56 -9.36 -1.59 0
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142986 53127551 1 S2N4O5C20H22 A2B4C5D20E22 -91.04 5.52 -8.86 -1.62 0
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142987 53128662 1 F2S2O3N4H16C21 A2B2C3D4E16F21 -133.93 3.72 -9.18 -1.71 0
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142988 53128814 1 S2O3N4H22C23 A2B3C4D22E23 -55.21 2.17 -8.78 -1.57 0
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142989 53129090 1 SF2O3N6C22H24 AB2C3D6E22F24 -162.05 12.38 -9.02 -1.36 0
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142990 53129278 1 F3O3N4C23H23 A3B3C4D23E23 -239.3 4.01 -9.48 -1.44 0
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142991 53129320 1 O3N4C18H22 A3B4C18D22 -92.23 8.72 -9.1 -1.04 0
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142992 53129390 1 O3N4C24H28 A3B4C24D28 -89.74 6.56 -9.08 -1.16 1
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142993 53129604 1 N4O5H25C26 A4B5C25D26 -109.83 3.75 0.0 0.0 1
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142994 53129605 1 N4O5H23C25 A4B5C23D25 -107.73 5.26 0.0 0.0 1
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142995 53129606 1 F3N4O4H20C25 A3B4C4D20E25 -222.56 5.46 0.0 0.0 0
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142996 53129979 1 OSN4C24H26 ABC4D24E26 38.39 2.73 -8.49 -0.61 0
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142997 53130822 1 SN3O4C23H27 AB3C4D23E27 -80.78 4.97 -9.15 -0.98 0
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142998 53131102 1 ClO2N6H17C22 AB2C6D17E22 100.24 3.5 -9.1 -1.19 0
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142999 53131114 1 ClO2N6H15C21 AB2C6D15E21 109.95 3.55 -9.35 -1.18 0
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143000 53131325 1 O2N3C21H25 A2B3C21D25 -44.58 5.96 -8.55 -0.04 0
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143001 53131326 1 BrON3C20H22 ABC3D20E22 -5.06 4.51 -8.86 -0.3 0
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143002 53131327 1 FON3C20H22 ABC3D20E22 -57.78 4.23 -8.71 -0.48 0
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143003 53131389 1 ClFON3H15C17 ABCD3E15F17 -37.51 2.65 -9.02 -0.5 0
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143004 53131390 1 OF3N3H16C18 AB3C3D16E18 -142.83 4.66 -9.13 -0.68 0
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143005 53131461 1 SO2N4C19H20 AB2C4D19E20 -10.09 5.48 -8.57 -0.93 0
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143006 53131471 1 FO2N4H19C20 AB2C4D19E20 -49.61 5.27 -8.56 -0.93 0
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143007 53131472 1 FO2N4H19C20 AB2C4D19E20 -48.99 5.43 -8.58 -0.94 0
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143008 53131549 2 ON2C12H14 AB2C12D14 -31.8 5.35 -8.5 -0.88 0
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143009 53131603 1 O2N5H19C23 A2B5C19D23 33.17 1.39 -8.62 -0.85 0
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143010 53131677 1 O3N4C25H26 A3B4C25D26 -49.06 5.04 -8.58 -0.61 0
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143011 53131678 1 O3N4C25H26 A3B4C25D26 -46.52 5.91 -8.53 -0.61 0
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143012 53131679 1 O3N4C26H28 A3B4C26D28 -57.14 5.07 -8.62 -0.71 0
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143013 53131884 1 SN4O5C23H26 AB4C5D23E26 -102.27 7.43 -9.2 -1.61 0
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143014 53132707 1 ClSN3O4C20H20 ABC3D4E20F20 -74.59 4.6 -9.25 -1.33 0
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143015 53132708 1 SN3O4C21H23 AB3C4D21E23 -75.57 2.84 -8.66 -1.27 0
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143016 53132759 1 BrSN3O4C20H20 ABC3D4E20F20 -56.55 2.67 -9.72 -1.24 0
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143017 53133173 1 SN3O7C22H25 AB3C7D22E25 -184.46 7.79 -8.22 -0.77 0
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143018 53133496 1 S2N4O4C21H24 A2B4C4D21E24 -74.72 3.04 -9.31 -1.54 0
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143019 53133497 1 S2N4O4C21H24 A2B4C4D21E24 -78.01 4.72 -8.88 -1.57 0
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143020 53133498 1 FS2N4O4C19H19 AB2C4D4E19F19 -109.21 4.72 -8.99 -1.7 0
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143021 53133499 1 FS2N4O4C19H19 AB2C4D4E19F19 -114.1 7.78 -9.12 -1.67 0
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143022 53133856 1 ClSN3O4H18C19 ABC3D4E18F19 -59.33 4.62 -9.58 -1.19 0
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143023 53134219 1 ClO2N5H20C21 AB2C5D20E21 43.72 6.12 -9.07 -1.14 0
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143024 53134373 1 SO2N3C20H23 AB2C3D20E23 -16.41 2.39 -8.88 -1.26 0
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143025 53134819 1 SO4N5C29H33 AB4C5D29E33 -81.78 6.01 -8.54 -0.94 0
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143026 53134935 1 ClS2N3O4H12C15 AB2C3D4E12F15 -62.03 3.64 -8.52 -1.42 0
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143027 53135278 4 NOH4C5 ABC4D5 19.75 8.92 -8.8 -1.19 0
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143028 53135379 1 FN3O3H18C19 AB3C3D18E19 -106.6 7.44 -9.04 -0.79 0
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143029 53135472 1 N3O3C19H25 A3B3C19D25 -106.94 8.16 -9.41 -0.34 0
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143030 53135473 1 N3O3C20H27 A3B3C20D27 -108.7 6.06 -9.18 -0.06 0
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143031 53135474 1 N3O4C19H25 A3B4C19D25 -143.44 5.23 -9.43 -0.6 0
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143032 53135606 1 ClN3O3H22C25 AB3C3D22E25 -46.5 7.32 -8.98 -0.94 0
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143033 53136034 1 SO3N5C25H29 AB3C5D25E29 -33.54 3.75 -8.29 -1.44 0