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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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328906 126729067 1 ClOC22H25 ABC22D25 -42.64 5.77 -9.09 -0.18 1
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328907 126729094 1 C2P2H7O8 A2B2C7D8 -384.45 3.85 0.0 0.0 0
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328908 126729113 1 O4N6C25H26 A4B6C25D26 -54.16 7.09 -8.14 -0.66 0
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328909 126729137 1 N2O3C22H28 A2B3C22D28 -113.24 0.87 -9.64 -0.65 0
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328910 126729148 1 SN2O2C15H26 AB2C2D15E26 -70.24 2.07 -9.03 -0.28 0
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328911 126729161 1 O2C15H28 A2B15C28 -130.0 5.28 -9.28 0.38 0
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328912 126729184 1 OH18C20 AB18C20 28.16 1.63 -8.86 -0.5 0
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328913 126729188 1 SN5H55C91 AB5C55D91 436.17 5.45 -7.93 -1.0 0
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328914 126729189 3 NOC9H15 ABC9D15 -65.02 3.5 -8.7 0.14 0
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328915 126729190 1 O2N3H29C42 A2B3C29D42 132.02 2.22 -8.55 -1.11 0
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328916 126729191 1 O2N3H29C42 A2B3C29D42 132.04 2.17 -8.58 -1.11 0
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328917 126729215 1 S2N3O3C16H21 A2B3C3D16E21 -71.8 4.31 -8.58 -0.62 0
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328918 126729225 1 N2O2H30C43 A2B2C30D43 118.95 1.2 -8.48 -0.87 0
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328919 126729226 1 NH17C24 AB17C24 88.51 1.72 -8.5 -0.62 0
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328920 126729227 1 N3O4C28H43 A3B4C28D43 -198.33 1.94 -9.09 -0.44 0
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328921 126729228 1 OSN2H32C43 ABC2D32E43 149.91 2.7 -8.14 -0.9 0
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328922 126729230 1 O2N3H27C41 A2B3C27D41 138.38 1.72 -8.55 -1.1 0
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328923 126729231 1 OSN2H30C43 ABC2D30E43 143.4 1.18 -8.18 -0.88 0
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328924 126729232 1 NH17C24 AB17C24 100.65 2.48 -7.76 -0.81 0
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328925 126729237 1 N2O3C20H26 A2B3C20D26 -118.91 0.99 -9.71 -0.73 0
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328926 126729257 1 O2H28C39 A2B28C39 75.3 2.66 -8.5 -0.68 0
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328927 126729263 1 NH23C25 AB23C25 76.45 1.66 -8.11 -0.12 0
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328928 126729269 1 O2N3H25C36 A2B3C25D36 108.27 2.33 -8.67 -1.1 0
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328929 126729273 1 N2O2H28C37 A2B2C28D37 86.93 5.43 -8.62 -0.75 0
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328930 126729283 1 N2O2H30C43 A2B2C30D43 118.57 2.48 -8.58 -0.86 0
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328931 126729289 1 O2N3H29C42 A2B3C29D42 133.22 2.03 -8.58 -1.17 0
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328932 126729319 1 O2C21H34 A2B21C34 -126.26 2.68 -9.76 0.91 0
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328933 126729324 1 OSN3H25C36 ABC3D25E36 132.71 3.48 -8.29 -1.24 0
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328934 126729326 2 OH17C23 AB17C23 82.16 2.85 -8.44 -0.66 0
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328935 126729341 1 O2H28C35 A2B28C35 40.36 2.3 -8.48 -0.63 0
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328936 126729346 1 IN3H14C21 AB3C14D21 155.3 2.26 -9.38 -1.73 0
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328937 126729358 1 OS2N3H13C14 AB2C3D13E14 77.32 4.65 -8.39 -0.87 0
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328938 126729359 1 OSN2H34C43 ABC2D34E43 129.55 1.47 -8.18 -0.83 0
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328939 126729362 1 SF2O2N3C7H7 AB2C2D3E7F7 -127.59 8.58 -9.51 -1.38 0
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328940 126729391 1 NO3C13H21 AB3C13D21 -131.7 2.41 -9.98 0.26 0
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328941 126729409 1 OSN3H11C14 ABC3D11E14 74.79 3.17 -8.53 -1.01 0
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328942 126729416 1 ClSN3O5H24C28 ABC3D5E24F28 -45.98 4.63 -8.04 -0.72 0
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328943 126729448 2 N2H15C22 A2B15C22 224.19 6.55 -8.71 -1.05 0
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328944 126729458 1 OPSN6H13C19 ABCD6E13F19 211.24 3.96 -9.0 -1.45 0
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328945 126729459 1 NC14H21 AB14C21 -8.25 1.58 -8.22 0.76 0
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328947 126729468 1 S6O20H34C41 A6B20C34D41 -658.8 12.58 -9.53 -1.55 0
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328948 126729469 1 NH29C44 AB29C44 167.53 2.14 -8.34 -1.12 0
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328949 126729472 2 NC16H16 AB16C16 138.35 2.09 -8.77 -0.25 0
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328950 126729476 1 NC21H27 AB21C27 108.22 2.82 -8.88 -0.44 0
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328951 126729494 1 SO3N4H12C13 AB3C4D12E13 3.39 5.7 -7.99 -1.29 0
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328952 126729505 1 N2O2C15H26 A2B2C15D26 -69.43 1.95 -9.59 0.73 0
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328953 126729508 1 OC15H28 AB15C28 -100.58 1.35 -9.48 2.36 0
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328954 126729509 1 FS2N4H7C12 AB2C4D7E12 117.54 3.07 -9.18 -1.84 0
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328955 126729540 1 N3O4H27C43 A3B4C27D43 61.4 6.74 -8.44 -1.69 0
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328956 126729553 1 BrClN3O6C20H25 ABC3D6E20F25 -182.9 3.56 -9.62 -1.76 0
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328957 126729555 1 ON6C10H18 AB6C10D18 75.7 3.67 -9.91 -0.21 0
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328958 126729586 1 O2F3N4H19C23 A2B3C4D19E23 -107.93 6.29 -8.23 -0.53 0
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328959 126729587 1 N3O4H19C33 A3B4C19D33 54.49 6.18 -8.61 -1.71 0
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328960 126729600 1 NH23C33 AB23C33 133.47 3.23 -8.63 -1.09 0
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328961 126729602 2 NH13C19 AB13C19 243.56 3.83 -8.39 -0.92 0
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328962 126729621 1 NSO5H19C20 ABC5D19E20 -136.6 5.28 -8.92 -0.85 0
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328963 126729628 1 N3O4H19C20 A3B4C19D20 -92.24 6.75 -8.84 -0.73 0
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328964 126729651 1 N3O5H19C31 A3B5C19D31 -22.55 4.81 -9.08 -1.71 0
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328965 126729670 1 F3N3C15H16 A3B3C15D16 -93.93 4.16 -9.55 -0.66 0
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328966 126729688 1 NO3C7H11 AB3C7D11 -90.07 4.27 -8.82 -0.49 0
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328967 126729697 1 NOC19H23 ABC19D23 -13.21 5.57 -8.48 -0.1 0
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328968 126729711 1 O3N7C24H27 A3B7C24D27 20.94 5.39 -8.47 -1.2 0
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328969 126729714 1 O4N7C24H27 A4B7C24D27 -26.49 11.07 -8.02 -1.54 0
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328970 126729762 1 PC6H9 AB6C9 10.06 1.98 -8.78 0.34 0
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328971 126729770 1 N4O5C18H22 A4B5C18D22 -129.3 2.97 -8.5 -1.01 0
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328972 126729877 1 OC14H20 AB14C20 -35.29 1.84 -8.58 0.32 0
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328973 126729879 1 O7N8C47H52 A7B8C47D52 -142.43 6.77 -8.22 -0.78 0
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328974 126729891 1 N6O9C35H42 A6B9C35D42 -223.81 6.08 -8.98 -1.58 0
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328975 126729908 1 N5H49C72 A5B49C72 321.99 4.16 -7.96 -0.93 0
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328976 126729916 1 N5H47C71 A5B47C71 330.72 3.39 -8.01 -0.89 0
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328977 126729933 1 N5H49C72 A5B49C72 321.34 3.54 -7.9 -0.97 0
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328978 126729934 1 N5H49C72 A5B49C72 322.4 3.54 -7.95 -0.94 0
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328979 126729935 1 N5H51C73 A5B51C73 313.01 2.93 -7.84 -0.88 0
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328980 126729936 1 N5H51C73 A5B51C73 311.39 3.86 -7.82 -0.89 0
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328981 126729938 1 N5H51C73 A5B51C73 312.54 4.53 -8.03 -0.88 0
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328982 126729942 1 N5C6H11 A5B6C11 40.88 2.37 -9.46 -0.35 0
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328983 126729944 1 N5H51C73 A5B51C73 313.24 2.4 -8.0 -0.88 0
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328984 126729945 1 N5H51C73 A5B51C73 310.09 4.45 -8.0 -0.87 0
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328985 126729957 1 N5H53C74 A5B53C74 302.35 5.72 -7.92 -0.89 0
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328986 126729958 1 N5H53C74 A5B53C74 303.85 3.11 -7.96 -0.88 0
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328987 126729971 1 N5H53C74 A5B53C74 300.95 4.39 -7.97 -0.87 0
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328988 126729989 1 N5H47C67 A5B47C67 290.03 3.82 -7.96 -0.87 0
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328989 126729995 1 N5H51C73 A5B51C73 312.77 2.87 -7.87 -1.05 0
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328990 126730004 1 N5H41C60 A5B41C60 276.35 4.07 -8.0 -1.0 0
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328991 126730014 1 N5H43C61 A5B43C61 264.6 3.72 -8.0 -0.98 0
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328992 126730022 1 N5H39C59 A5B39C59 285.62 2.8 -8.01 -1.03 0
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328993 126730027 1 N5H51C73 A5B51C73 311.67 3.78 -7.78 -0.89 0
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328994 126730069 1 N5H45C62 A5B45C62 254.95 5.03 -7.9 -0.96 0
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328995 126730075 1 N5H41C60 A5B41C60 275.45 1.85 -7.9 -1.14 0
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328996 126730097 1 N7H39C66 A7B39C66 386.34 1.59 -8.09 -1.54 0
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328997 126730131 1 N5H55C73 A5B55C73 308.66 2.8 -7.55 -0.88 0
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328998 126730134 1 N5H55C73 A5B55C73 308.86 0.97 -7.54 -0.87 0
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328999 126730156 1 N5H55C73 A5B55C73 306.82 2.61 -7.76 -0.77 0
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329000 126730160 1 N5H55C73 A5B55C73 307.21 2.41 -7.74 -0.79 0
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329001 126730180 1 N5H57C74 A5B57C74 300.39 2.17 -7.69 -0.65 0
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329002 126730190 1 N5H57C74 A5B57C74 295.57 3.15 -7.62 -0.69 0
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329003 126730195 1 N5H45C64 A5B45C64 313.1 1.91 -7.64 -0.91 0
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329004 126730237 1 N5H53C68 A5B53C68 276.68 2.06 -7.51 -0.82 0
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329005 126730290 1 N5H49C62 A5B49C62 254.02 1.29 -7.59 -0.84 0
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329006 126730326 1 N7H43C66 A7B43C66 382.15 3.84 -7.82 -1.44 0