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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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190219 77971032 1 SN5O5C15H21 AB5C5D15E21 -170.78 2.69 -8.86 -1.13 0
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190220 77971033 1 O4N5C14H19 A4B5C14D19 -107.03 4.9 -8.85 -0.93 0
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190221 77971034 1 NO3C17H23 AB3C17D23 -105.51 3.03 -8.17 0.27 0
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190222 77971035 1 NO5C25H29 AB5C25D29 -157.12 2.74 -8.1 -0.45 0
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190223 77971454 1 O2N3C25H25 A2B3C25D25 10.19 9.73 -9.01 -1.31 0
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190224 77971455 1 O3N5C32H33 A3B5C32D33 75.9 9.19 -8.78 -1.62 0
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190225 77972447 3 NOC9H11 ABC9D11 -88.03 3.61 -8.09 -0.39 0
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190226 77972847 1 O4N5C25H37 A4B5C25D37 -151.66 8.76 -8.64 -0.8 0
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190227 77972899 1 FN4O7C28H31 AB4C7D28E31 -254.08 2.71 -9.37 -0.91 0
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190228 77972900 1 SN2O4C15H16 AB2C4D15E16 -95.63 9.92 -9.37 -1.16 0
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190229 77972901 1 O2Cl4N4C23H26 A2B4C4D23E26 -73.01 7.08 -9.18 -1.0 0
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190230 77973014 1 ClSO2N6C26H29 ABC2D6E26F29 29.43 9.05 -8.46 -2.17 0
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190231 77973360 1 ClO3N4C27H35 AB3C4D27E35 -59.76 5.02 -8.65 -0.4 0
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190232 77973391 1 Cl2O3N4C28H34 A2B3C4D28E34 -64.62 6.02 -8.51 -0.42 0
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190233 77973574 1 NSC15H19 ABC15D19 27.96 1.73 -8.97 -0.61 0
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190234 77974115 1 N5O5C32H43 A5B5C32D43 -213.04 3.55 -8.63 -0.12 0
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190235 77974477 1 FO3C24H25 AB3C24D25 -129.15 3.19 -8.72 -0.93 0
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190236 77974683 1 ClO6N7C23H30 AB6C7D23E30 -157.57 10.59 -9.68 -1.55 0
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190237 77974684 1 O6N7C23H29 A6B7C23D29 -121.08 7.93 -9.51 -1.21 0
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190238 77974685 1 NSO4C9H9 ABC4D9E9 -119.8 2.06 -9.02 -0.97 0
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190239 77974993 1 NSO6C22H27 ABC6D22E27 -222.09 3.13 -9.53 -1.56 0
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190240 77975152 1 O5C23H46 A5B23C46 -315.65 1.15 -10.01 1.22 0
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190241 77975280 1 O4N6C11H18 A4B6C11D18 -66.47 6.33 -9.74 -0.72 0
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190242 77975706 1 ON3C15H15 AB3C15D15 33.37 2.49 -9.39 -0.49 0
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190243 77975934 1 O3C22H34 A3B22C34 -88.23 9.26 -6.58 -0.15 1
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190244 77975976 1 SN3O6C35H50 AB3C6D35E50 -180.66 9.2 0.0 0.0 0
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190245 77976225 1 ClSN3O6H30C36 ABC3D6E30F36 -129.02 6.94 -9.24 -0.61 0
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190246 77976232 1 N2O7H22C24 A2B7C22D24 -200.7 12.89 -9.16 -1.84 0
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190247 77976478 1 O3N4H20C25 A3B4C20D25 28.16 4.15 -8.32 -1.92 0
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190248 77976939 1 BrN3O3C23H32 AB3C3D23E32 -142.16 6.83 -9.15 -0.48 0
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190249 77977155 1 ON3C12H13 AB3C12D13 10.58 5.49 -10.32 -0.45 0
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190250 77977222 1 NSC18H21 ABC18D21 36.07 3.76 -8.38 0.22 0
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190251 77977223 2 O3C13H19 A3B13C19 -165.33 3.3 -6.2 -2.7 0
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190252 77977224 1 N2O3C12H14 A2B3C12D14 -61.49 5.03 -10.52 -1.83 0
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190253 77977691 1 S2N4O8C25H26 A2B4C8D25E26 -183.45 13.24 -8.84 -1.22 0
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190254 77977692 1 S2N4O8C25H26 A2B4C8D25E26 -194.65 11.42 -9.15 -1.12 0
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190255 77977762 1 N3O7C30H39 A3B7C30D39 -290.07 3.94 -9.08 -0.08 0
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190256 77977904 1 O7N8C24H34 A7B8C24D34 -237.84 4.75 -9.43 -0.93 0
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190257 77978235 1 N5O7C21H35 A5B7C21D35 -276.23 2.73 -9.73 -1.8 0
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190258 77978378 1 BSF3O3N4C31H32 ABC3D3E4F31G32 -272.23 4.29 -9.06 -1.07 0
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190259 77978383 1 BrSCl2O4N6C27H27 ABC2D4E6F27G27 -73.55 4.45 -9.34 -1.07 0
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190260 77978384 1 BrSCl2N4O5H25C26 ABC2D4E5F25G26 -132.61 4.42 -9.46 -0.98 0
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190261 77978451 1 O3N5C13H15 A3B5C13D15 -44.69 7.84 -8.75 -1.73 0
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190262 77978452 2 N2O2C7H10 A2B2C7D10 -125.71 13.27 -8.16 -1.31 0
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190263 77978453 1 O3N4C14H20 A3B4C14D20 -97.03 10.61 -8.25 -1.47 0
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190264 77978454 1 O3N4C14H20 A3B4C14D20 -94.05 12.25 -8.23 -1.39 0
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190265 77978468 1 F3N3O3H16C18 A3B3C3D16E18 -227.06 8.93 -9.41 -1.08 0
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190266 77978469 1 O2N4C9H12 A2B4C9D12 -35.22 6.02 -8.66 -1.59 0
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190267 77978494 1 ClN2O3C31H33 AB2C3D31E33 -69.04 3.83 -8.95 -0.46 0
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190268 77978497 1 NO4C36H39 AB4C36D39 -97.38 5.44 -9.27 -0.6 0