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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