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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39253 8139984 1 SN2O2C21H22 AB2C2D21E22 -41.91 4.23 -8.74 -0.6 1
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39254 8139989 1 N2O2C25H29 A2B2C25D29 2.32 3.33 0.0 0.0 0
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39255 8139990 1 N2O2C25H28 A2B2C25D28 -14.26 3.98 -8.94 -0.05 0
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39256 8139992 2 NOC12H13 ABC12D13 -10.43 4.62 -8.82 -0.26 0
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39257 8139998 1 N3O3C20H25 A3B3C20D25 -71.1 3.59 -8.91 0.13 1
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39258 8140000 1 OSN2C19H25 ABC2D19E25 17.84 1.81 0.0 0.0 0
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39259 8140001 1 OSN2C19H24 ABC2D19E24 -4.29 2.01 -8.66 -0.11 0
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39260 8140002 1 SN2O6C20H24 AB2C6D20E24 -200.04 6.7 -9.05 -1.33 0
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39261 8140009 2 NOC12H13 ABC12D13 -12.46 4.18 -8.79 -0.12 0
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39262 8140010 1 N3O6H19C20 A3B6C19D20 -80.19 5.7 -9.24 -2.04 1
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39263 8140011 1 O2N3C19H22 A2B3C19D22 12.94 5.33 0.0 0.0 0
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39264 8140013 1 N2O4C21H22 A2B4C21D22 -71.37 3.2 -8.93 -0.82 0
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39265 8140016 1 ClN2O4H17C19 AB2C4D17E19 -64.14 2.29 -8.99 -0.91 1
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39266 8140017 1 FO2N3C19H23 AB2C3D19E23 -64.28 3.09 0.0 0.0 0
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39267 8140018 1 FO2N3C19H22 AB2C3D19E22 -86.47 3.54 -8.99 -0.48 1
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39268 8140019 1 Cl2O2N3C19H22 A2B2C3D19E22 -36.56 3.42 0.0 0.0 0
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39269 8140021 1 NSO6C21H29 ABC6D21E29 -253.33 6.77 -8.94 0.08 0
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39270 8140025 2 NOC10H13 ABC10D13 -49.53 4.91 -8.8 0.13 1
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39271 8140026 1 ClN2O2C19H24 AB2C2D19E24 -35.67 3.77 0.0 0.0 1
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39272 8140029 1 O2N3C26H38 A2B3C26D38 -59.5 6.42 0.0 0.0 1
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39273 8140031 1 SN2O3C20H27 AB2C3D20E27 -81.19 6.53 0.0 0.0 0
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39274 8140032 1 SN2O3C20H26 AB2C3D20E26 -93.82 4.01 -8.65 -0.48 0
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39275 8140034 1 SN2O3C19H24 AB2C3D19E24 -80.79 5.84 -9.0 -0.72 0
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39276 8140035 1 FN2O4H19C20 AB2C4D19E20 -126.08 3.8 -9.07 -1.31 1
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39277 8140036 1 ClO2N3C19H23 AB2C3D19E23 -31.34 2.94 0.0 0.0 1
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39278 8140039 1 N3O3C17H22 A3B3C17D22 -51.71 6.52 0.0 0.0 0
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39279 8140040 1 N3O3C17H21 A3B3C17D21 -69.51 4.21 -9.33 -0.23 0
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39280 8140048 1 N3O3C20H25 A3B3C20D25 -30.41 5.23 -8.6 -0.08 1
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39281 8140050 1 BrN3O3C17H21 AB3C3D17E21 -42.17 4.07 0.0 0.0 0
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39282 8140051 1 BrN3O3C17H20 AB3C3D17E20 -61.99 4.28 -9.33 -0.75 1
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39283 8140053 1 O2N3C21H28 A2B3C21D28 -42.48 6.98 0.0 0.0 0
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39284 8140054 1 O2N3C21H27 A2B3C21D27 -59.36 2.47 -9.24 -0.02 0
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39285 8140056 1 N2O3C25H28 A2B3C25D28 -45.39 3.93 -8.6 -0.19 0
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39286 8140058 1 N3O3C21H29 A3B3C21D29 -128.21 6.36 -8.77 -0.33 1
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39287 8140060 3 NOC7H10 ABC7D10 -86.68 18.72 0.0 0.0 0
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39288 8140063 1 NO4C21H23 AB4C21D23 -98.8 2.0 -9.04 -0.24 1
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39289 8140064 3 NOC7H10 ABC7D10 -109.95 4.44 0.0 0.0 0
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39290 8140066 1 N2O4C21H22 A2B4C21D22 -89.97 1.82 -8.98 -0.96 1
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39291 8140069 3 NOC7H8 ABC7D8 -53.84 3.23 0.0 0.0 1
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39292 8140075 1 N2O2C20H27 A2B2C20D27 -35.86 1.22 0.0 0.0 1
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39293 8140078 1 N2O2C20H27 A2B2C20D27 -32.19 2.18 0.0 0.0 1
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39294 8140089 1 SN3O3C18H22 AB3C3D18E22 14.48 3.84 0.0 0.0 1
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39295 8140098 1 OSN2C20H27 ABC2D20E27 3.91 3.19 0.0 0.0 0
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39296 8140101 1 N2O2C21H28 A2B2C21D28 -61.2 3.35 -8.53 0.14 1
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39297 8140105 1 ON2C21H29 AB2C21D29 -1.53 2.54 0.0 0.0 0
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39298 8140107 1 NF3O4H18C20 AB3C4D18E20 -253.62 8.31 -9.4 -0.53 1
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39299 8140124 1 BrN2O2C20H26 AB2C2D20E26 -26.79 4.35 0.0 0.0 0
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39300 8140126 1 SN2O5C21H22 AB2C5D21E22 -123.77 3.52 -8.51 -0.87 1
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39301 8140127 1 F2N2O3C19H23 A2B2C3D19E23 -173.46 8.6 0.0 0.0 0
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39302 8140134 1 NO5C20H21 AB5C20D21 -125.23 5.19 -8.67 -0.44 1
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39303 8140142 1 SO2N3C22H30 AB2C3D22E30 -25.16 2.39 0.0 0.0 0
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39304 8140149 1 O3N4C24H26 A3B4C24D26 12.74 2.88 -9.04 -1.05 0
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39305 8140160 1 OSN2C18H22 ABC2D18E22 1.68 5.51 -8.93 -0.46 1
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39306 8140177 1 N3O3C24H34 A3B3C24D34 -87.72 5.53 0.0 0.0 1
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39307 8140202 1 ClSN3O3C19H25 ABC3D3E19F25 -71.93 7.27 0.0 0.0 1
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39308 8140205 1 O2N3C18H26 A2B3C18D26 -13.5 1.83 0.0 0.0 0
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39309 8140206 1 O2N3C18H25 A2B3C18D25 -31.77 5.68 -9.29 0.1 0
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39310 8140213 1 N3O3C23H27 A3B3C23D27 -30.08 6.45 -9.12 -0.27 0
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39311 8140214 1 FN3O4C16H18 AB3C4D16E18 -154.71 1.58 -8.61 -0.57 1
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39312 8140215 1 BrN2O2C20H26 AB2C2D20E26 -31.03 3.05 0.0 0.0 0
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39313 8140228 1 FS2O3N4H11C17 AB2C3D4E11F17 33.9 5.86 -9.61 -2.03 0
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39314 8140229 1 FS2O3N4H11C17 AB2C3D4E11F17 34.99 5.95 -9.53 -1.99 0
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39315 8140230 1 S2N3O3H15C18 A2B3C3D15E18 48.05 8.97 -9.22 -1.76 1
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39316 8140242 1 N4O4C21H27 A4B4C21D27 -20.36 6.53 0.0 0.0 1
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39317 8140248 1 N2O2C22H31 A2B2C22D31 -44.13 0.88 0.0 0.0 0
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39318 8140252 2 NOC11H15 ABC11D15 -62.86 3.34 -8.84 0.15 0
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39319 8140253 1 SO2N4H12C13 AB2C4D12E13 8.18 2.63 -8.94 -1.25 0
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39320 8140261 1 BrOSN4H11C17 ABCD4E11F17 95.0 6.08 -9.07 -1.4 0
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39321 8140262 1 SO3N5H13C19 AB3C5D13E19 18.05 4.66 -9.19 -1.56 1
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39322 8140263 1 SN3O3C23H34 AB3C3D23E34 -91.91 7.52 0.0 0.0 1
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39323 8140266 1 ON2C21H27 AB2C21D27 0.83 4.89 0.0 0.0 0
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39324 8140267 1 ON2C21H26 AB2C21D26 -16.45 4.2 -8.52 -0.22 0
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39325 8140268 1 ClOS2N4H9C15 ABC2D4E9F15 97.34 4.61 -9.01 -1.35 0
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39326 8140275 1 SF2O2N4H14C19 AB2C2D4E14F19 -60.74 5.27 -9.22 -1.62 0
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39327 8140276 1 OSF2N4H10C17 ABC2D4E10F17 1.09 6.42 -9.17 -1.51 0