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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174238 75743980 1 SN2O4C21H25 AB2C4D21E25 -79.64 12.79 0.0 0.0 0
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174239 75744099 1 ClN2O6C21H21 AB2C6D21E21 -215.31 4.96 -8.44 -0.65 0
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174240 75744100 1 ClSN3O4C21H26 ABC3D4E21F26 -110.79 3.87 -8.7 -0.83 0
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174241 75744197 1 S2O3N5C20H21 A2B3C5D20E21 5.19 6.81 -9.1 -1.02 2
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174242 75744223 1 N3C9H23 A3B9C23 111.05 4.33 -2.76 0.65 1
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174243 75744224 1 ON2C8H19 AB2C8D19 -24.3 3.2 0.0 0.0 1
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174244 75744225 1 N2C7H19 A2B7C19 8.86 1.63 0.0 0.0 1
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174245 75744226 1 ON2C6H15 AB2C6D15 -16.47 3.28 0.0 0.0 1
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174246 75744227 1 N2O2C8H17 A2B2C8D17 -57.11 4.2 0.0 0.0 1
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174247 75744228 1 N3C13H20 A3B13C20 63.41 3.51 0.0 0.0 1
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174248 75744229 1 ON3C11H18 AB3C11D18 -1.45 1.61 0.0 0.0 0
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174249 75744230 2 NOC3H6 ABC3D6 -75.45 9.56 -9.38 0.28 1
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174250 75744231 1 OSN4C20H31 ABC4D20E31 5.07 6.5 0.0 0.0 1
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174251 75744232 1 SO2N4C19H31 AB2C4D19E31 -67.36 6.18 0.0 0.0 0
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174252 75744341 1 O3N5C28H47 A3B5C28D47 -173.98 4.4 -9.21 0.38 1
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174253 75744675 1 ON3C18H30 AB3C18D30 -27.98 5.93 0.0 0.0 1
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174254 75744676 1 O2N3C20H26 A2B3C20D26 13.42 5.67 0.0 0.0 1
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174255 75744746 1 OSN3C22H32 ABC3D22E32 -4.29 6.89 0.0 0.0 1
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174256 75745456 1 F3N3O3C23H29 A3B3C3D23E29 -209.85 5.44 0.0 0.0 1
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174257 75745605 1 N3O3C23H40 A3B3C23D40 -99.26 2.93 0.0 0.0 1
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174258 75745905 1 N3O3C23H34 A3B3C23D34 -73.13 2.14 0.0 0.0 1
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174259 75745995 1 SN3C19H26 AB3C19D26 78.21 1.35 0.0 0.0 1
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174260 75745996 1 FON2C20H32 ABC2D20E32 -71.07 2.41 0.0 0.0 2
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174261 75746039 1 N3O4C25H45 A3B4C25D45 -149.93 13.22 -6.3 -0.13 1
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174262 75746040 1 FO2N3C21H29 AB2C3D21E29 -79.86 3.62 0.0 0.0 1
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174263 75746041 1 N2O4C24H35 A2B4C24D35 -101.84 4.96 0.0 0.0 1
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174264 75746042 1 FSO2N3C20H23 ABC2D3E20F23 -48.18 5.5 0.0 0.0 1
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174265 75746043 1 SN3O3C23H30 AB3C3D23E30 -52.36 2.77 0.0 0.0 1
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174266 75746044 1 SN3O3C21H26 AB3C3D21E26 -41.09 3.31 0.0 0.0 1
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174267 75746045 1 ClSO2N3C20H23 ABC2D3E20F23 -11.34 15.11 0.0 0.0 1
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174268 75746046 1 SN3O4C22H26 AB3C4D22E26 -86.21 6.76 0.0 0.0 0
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174269 75746488 1 SN4O4C23H38 AB4C4D23E38 -165.77 5.95 -8.74 -0.38 0
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174270 75746489 1 SO3N4C23H38 AB3C4D23E38 -131.86 4.65 -8.83 -0.47 1
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174271 75746834 1 O2N4C24H39 A2B4C24D39 -74.26 2.94 0.0 0.0 0
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174272 75746947 1 SN3O5C21H29 AB3C5D21E29 -217.24 8.21 -9.55 -0.53 0
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174273 75746948 1 ClSN3O5C19H24 ABC3D5E19F24 -204.77 7.48 -9.86 -0.99 -2
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174274 75746949 1 SF3N4O6H13C21 AB3C4D6E13F21 -114.3 8.98 -9.49 -3.8 1
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174275 75747039 1 SN2O2C20H29 AB2C2D20E29 -19.77 2.46 0.0 0.0 0
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174276 75747495 1 ClSO2N3H16C19 ABC2D3E16F19 20.85 3.2 -8.73 -1.26 0
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174277 75747546 1 SO2F3N3H18C21 AB2C3D3E18F21 -132.1 4.81 -8.51 -1.02 0
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174278 75747611 1 FOSN3H16C22 ABCD3E16F22 44.11 4.88 -8.84 -1.32 0
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174279 75747612 1 FSO2N3H18C20 ABC2D3E18F20 -20.65 7.43 -8.67 -1.2 0
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174280 75747619 1 FOSN3C17H20 ABCD3E17F20 -30.26 3.85 -8.9 -1.34 0
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174281 75747620 1 FOSN3H18C20 ABCD3E18F20 11.47 3.42 -8.94 -1.38 0
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174282 75747621 1 OSCl3N3H12C18 ABC3D3E12F18 45.29 4.27 -9.09 -1.52 0
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174283 75748056 1 O4N5C22H23 A4B5C22D23 -78.49 6.15 -8.92 -0.42 -2
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174284 75748472 1 NS2O6H7C14 AB2C6D7E14 -135.52 3.82 -8.69 -2.69 1
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174285 75748492 1 N2S3C25H29 A2B3C25D29 62.1 3.84 0.0 0.0 -1
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174286 75748493 1 ClSN4O6C18H20 ABC4D6E18F20 -169.7 2.65 0.0 0.0 0
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174287 75748642 1 N3O4C21H25 A3B4C21D25 -117.03 8.44 -8.46 -0.45 1