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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297936 117636596 1 OSF3N7C33H38 ABC3D7E33F38 -122.82 4.06 -8.81 -1.0 0
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297937 117636598 1 SO2F3N7C31H34 AB2C3D7E31F34 -124.04 5.2 -8.89 -0.99 0
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297938 117636601 1 O2S2F3N9C30H36 A2B2C3D9E30F36 -129.3 3.0 -8.74 -1.01 0
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297939 117636603 1 SF3N7H20C22 AB3C7D20E22 -31.59 5.59 -8.93 -1.13 0
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297940 117636604 1 FSN6C24H25 ABC6D24E25 55.68 1.1 -8.77 -0.75 0
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297941 117636605 1 SF4N7H27C30 AB4C7D27E30 -59.65 8.85 -8.8 -0.88 0
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297942 117636608 1 SO2F3N6C33H39 AB2C3D6E33F39 -160.8 6.27 -8.89 -1.01 0
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297943 117636614 1 S2F3N7H28C29 A2B3C7D28E29 -27.48 1.94 -8.8 -1.01 0
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297944 117636615 1 SO2F3N6C27H29 AB2C3D6E27F29 -152.07 2.77 -8.89 -1.03 0
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297945 117636617 1 SO2F3N6C30H35 AB2C3D6E30F35 -162.54 2.1 -8.79 -1.04 0
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297946 117636621 1 SO2F3N7C31H36 AB2C3D7E31F36 -145.2 1.72 -8.81 -1.01 0
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297947 117636623 1 OSF3N8C36H43 ABC3D8E36F43 -93.24 3.4 -8.78 -1.04 0
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297948 117636626 1 OSF3N6C25H25 ABC3D6E25F25 -94.23 3.71 -8.83 -0.96 0
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297949 117636627 1 SO2F3N6C26H27 AB2C3D6E26F27 -150.51 6.36 -8.82 -1.1 0
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297950 117636631 1 OSF3N8C32H37 ABC3D8E32F37 -99.17 4.95 -8.88 -1.01 0
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297951 117636635 1 ClS2F3O3N5C21H23 AB2C3D3E5F21G23 -223.74 4.24 -9.08 -0.74 0
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297952 117636636 1 ClS2F3O3N6C25H30 AB2C3D3E6F25G30 -232.78 7.6 -8.92 -0.65 0
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297953 117636640 1 SF3N8H27C28 AB3C8D27E28 -21.23 3.03 -8.84 -0.98 0
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297954 117636642 1 OSF3N8H27C28 ABC3D8E27F28 -46.49 2.71 -8.91 -0.98 0
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297955 117636652 1 OSF3N8C33H35 ABC3D8E33F35 -35.64 3.7 -8.93 -1.01 0
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297956 117636656 1 SO2F3N8C35H43 AB2C3D8E35F43 -170.85 2.29 -8.74 -1.03 0
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297957 117636657 1 O3N4C22H28 A3B4C22D28 -78.61 2.12 -9.04 -0.96 0
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297958 117636659 1 O2N3C14H25 A2B3C14D25 -92.96 4.73 -9.37 -0.14 0
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297960 117636669 1 ClNO3C16H18 ABC3D16E18 -120.31 2.56 -8.13 -0.01 0
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297962 117636682 1 N5O11C25H39 A5B11C25D39 -488.22 9.06 -8.64 -0.71 0
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297963 117636683 1 N5O11C25H39 A5B11C25D39 -499.87 9.95 -8.52 -0.93 0
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297964 117636687 1 PN5O9C10H12 AB5C9D10E12 -350.38 11.77 -9.18 -0.86 0
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297965 117636688 1 NO15C27H45 AB15C27D45 -721.03 4.35 -10.02 0.34 0
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297966 117636696 1 N5O5C10H13 A5B5C10D13 -150.73 6.34 -8.84 -0.79 0
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297967 117636697 1 PN9O12C26H40 AB9C12D26E40 -488.29 7.94 -9.4 -0.9 0
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297968 117644085 1 SN2O2C14H18 AB2C2D14E18 -57.22 4.79 -8.56 -1.4 0
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297969 117644126 1 FO2N9C24H28 AB2C9D24E28 2.6 10.5 -8.82 -0.99 0
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297970 117644140 1 FON8C23H31 ABC8D23E31 -2.68 5.24 -7.99 -0.4 0
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297971 117644141 2 NO3C9H14 AB3C9D14 -207.13 6.61 -10.3 -0.64 -1
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297972 117644142 1 N2O6C18H25 A2B6C18D25 -164.73 2.45 0.0 0.0 0
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297973 117644144 2 NO3C9H13 AB3C9D13 -203.86 4.43 -10.09 -1.86 0
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297974 117644384 1 FON9C23H24 ABC9D23E24 60.32 3.22 -8.8 -1.02 0
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297975 117644385 1 FON9C23H24 ABC9D23E24 61.5 4.39 -8.99 -1.04 0
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297976 117644516 1 F2O2N6C17H20 A2B2C6D17E20 -129.71 2.92 -8.64 -0.78 0
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297977 117644517 1 ClS3N4O17H43C44 AB3C4D17E43F44 -471.02 8.94 -9.24 -2.35 0
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297978 117644518 1 FO4N9C28H30 AB4C9D28E30 -77.22 6.36 -8.89 -1.03 0
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297979 117644519 1 FO2N9C20H24 AB2C9D20E24 12.11 3.92 -8.76 -1.21 0
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297980 117644520 1 FO5N9C24H30 AB5C9D24E30 -133.14 5.41 -8.62 -0.97 0
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297981 117644524 2 ON2C7H7 AB2C7D7 -2.93 6.21 -9.33 -1.65 0
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297982 117644527 2 ON2C5H6 AB2C5D6 -23.8 6.34 -8.32 -0.77 0
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297983 117644531 1 FON6C19H27 ABC6D19E27 -62.16 3.6 -8.55 -0.52 0
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297984 117644532 1 NO4C7H15 AB4C7D15 -193.62 5.78 -10.15 0.82 0
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297985 117644533 1 F3O3N7H24C25 A3B3C7D24E25 -146.02 7.35 -8.58 -1.08 0
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297986 117644534 1 F3O3N7H24C25 A3B3C7D24E25 -143.26 6.74 -8.54 -1.11 0
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297987 117644535 1 FO2N7C21H26 AB2C7D21E26 -32.33 4.46 -7.92 -0.45 0
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297988 117644710 1 FON7C25H28 ABC7D25E28 9.68 4.33 -8.53 -0.52 0
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297989 117644790 1 BrN2S2O5C22H23 AB2C2D5E22F23 -138.68 1.93 -9.1 -1.44 0
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297990 117644793 1 BrNF2S2O3C22H22 ABC2D2E3F22G22 -159.62 2.34 -8.75 -1.25 0
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297991 117644836 1 ClS2N3O3F4H26C29 AB2C3D3E4F26G29 -239.55 6.32 -8.82 -1.38 0
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297992 117645007 1 ClNO4C20H22 ABC4D20E22 -135.76 4.52 -9.25 -0.66 0
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297993 117645042 1 ClO2N4C12H13 AB2C4D12E13 -30.1 2.97 -9.1 -1.09 0
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297994 117645072 1 NSO8C26H33 ABC8D26E33 -266.07 7.73 -8.8 -0.71 1
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297995 117645097 1 ClO2N3C21H21 AB2C3D21E21 -4.36 7.91 0.0 0.0 0
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297996 117645134 1 SO6N7C28H33 AB6C7D28E33 -162.93 10.48 -8.66 -0.37 0
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297997 117645231 1 SO2N4F6C28H28 AB2C4D6E28F28 -343.51 15.44 -8.94 -1.02 0
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297998 117645248 1 N2O3C13H18 A2B3C13D18 -53.76 7.19 -10.03 -1.55 0
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297999 117645253 1 BrNNaC19H42 ABCD19E42 -92.07 8.2 0.0 0.0 0
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298000 117645691 1 SO3C15H24 AB3C15D24 -150.92 3.34 -9.25 0.26 0
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298001 117645692 2 OC5H9 AB5C9 -110.94 2.3 -10.09 0.25 0
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298002 117645801 1 SO3C10H12 AB3C10D12 -97.36 5.28 -9.84 -0.42 0
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298003 117645862 1 OC14H24 AB14C24 -91.07 3.51 -9.62 0.89 0
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298004 117645988 1 NC15H29 AB15C29 -49.02 1.52 -8.61 3.22 0
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298005 117645990 1 Cl2O17C52H74 A2B17C52D74 -741.21 5.54 -9.07 -1.08 0
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298006 117645992 1 Cl2O17C53H76 A2B17C53D76 -733.39 3.82 -8.71 -0.83 0
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298007 117645993 1 Cl2O17C53H76 A2B17C53D76 -779.7 2.85 -9.4 -0.9 0
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298008 117645994 1 F11O19C61H87 A11B19C61D87 -1550.41 7.26 -10.6 -0.8 0
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298009 117645999 1 F11O19C58H81 A11B19C58D81 -1539.37 5.73 -10.59 -1.08 0
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298010 117646002 1 N5O5H23C26 A5B5C23D26 -78.06 6.82 -9.11 -0.89 0
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298011 117646018 1 NO2H9C11 AB2C9D11 -36.61 3.48 -9.18 -0.8 0
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298012 117646021 1 N2O11C35H64 A2B11C35D64 -566.04 7.56 -9.9 -0.24 0
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298013 117646022 1 N2O4C13H26 A2B4C13D26 -235.08 3.48 -9.72 0.37 0
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298014 117646056 1 OSN4C6H16 ABC4D6E16 -46.86 4.99 -9.43 -0.01 0
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298015 117646595 1 FN3O3C20H20 AB3C3D20E20 -105.73 6.66 -9.02 -1.05 0
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298016 117646855 1 ClS2N16O20C62H71 AB2C16D20E62F71 -714.61 12.13 -9.01 -1.66 0
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298017 117646992 1 O2N5C21H25 A2B5C21D25 -6.44 2.3 -9.08 -1.03 0
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298018 117646993 1 FON4C23H25 ABC4D23E25 -27.52 4.89 -8.6 -1.14 0
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298019 117646994 1 FN2O2H13C17 AB2C2D13E17 -55.94 5.53 -9.1 -1.24 0
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298020 117646995 1 NO3C13H19 AB3C13D19 -129.01 1.4 -9.39 0.31 0
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298021 117646996 1 NSO2C8H15 ABC2D8E15 -16.17 3.77 -9.14 -0.53 0
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298022 117646997 1 FN4C23H23 AB4C23D23 49.54 5.76 -8.62 -1.29 0
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298023 117647145 1 FO3N9C27H34 AB3C9D27E34 -50.1 3.73 -8.74 -0.94 0
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298024 117647260 1 FO3N8C25H29 AB3C8D25E29 -67.88 5.91 -8.86 -1.08 0
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298025 117647262 1 FO3N9C32H36 AB3C9D32E36 -28.9 7.57 -8.71 -0.98 0
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298026 117647264 1 FO2N7C26H32 AB2C7D26E32 -35.26 7.99 -8.45 -0.67 0
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298027 117647302 1 F2O3N9C24H29 A2B3C9D24E29 -133.49 10.16 -8.86 -1.28 0
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298028 117647305 1 FO4N9C26H36 AB4C9D26E36 -131.41 5.25 -8.63 -0.78 0
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298029 117647312 1 F2O5N6C26H38 A2B5C6D26E38 -292.05 7.26 -8.55 -0.64 0
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298030 117647313 1 FO5N9C28H40 AB5C9D28E40 -184.11 5.15 -8.5 -0.84 0
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298031 117647315 1 F2O3N6C23H30 A2B3C6D23E30 -211.49 5.2 -8.69 -0.79 0
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298032 117647318 1 FO4N9C26H34 AB4C9D26E34 -116.63 9.72 -8.49 -0.95 0
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298033 117647321 1 FO4N9C26H34 AB4C9D26E34 -124.32 9.58 -8.52 -0.99 0
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298034 117647322 1 FO4N9C27H36 AB4C9D27E36 -130.13 9.49 -8.56 -0.96 0
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298035 117647327 1 FO4N9C24H32 AB4C9D24E32 -129.37 7.41 -8.83 -1.12 0
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298036 117647328 1 FO5N9C27H38 AB5C9D27E38 -177.9 5.55 -8.53 -0.84 0
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298037 117647329 1 FO5N9C26H36 AB5C9D26E36 -169.07 3.66 -8.73 -1.02 0