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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195245 78664948 1 ClN3O3C21H23 AB3C3D21E23 -67.62 5.47 0.0 0.0 0
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195246 78664949 1 ClN3O3C21H22 AB3C3D21E22 -83.85 3.92 -8.63 -0.3 1
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195247 78664950 1 N3O3C22H26 A3B3C22D26 -67.34 4.72 0.0 0.0 0
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195248 78664951 1 N3O3C22H25 A3B3C22D25 -81.21 3.11 -8.5 -0.1 1
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195249 78665016 1 ClN3O5C20H21 AB3C5D20E21 -123.74 6.59 0.0 0.0 2
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195250 78665158 1 O2N4C21H26 A2B4C21D26 25.31 12.34 -5.44 -1.34 0
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195251 78665167 1 ClNSO4C19H20 ABCD4E19F20 -101.45 5.26 -8.3 -1.1 0
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195252 78665223 1 ClSN2O4C20H23 ABC2D4E20F23 -132.89 4.47 -9.05 -1.18 0
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195253 78665528 1 FNSO2C16H16 ABCD2E16F16 -60.64 6.34 -9.57 -0.94 0
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195254 78665716 1 NF4O4H17C20 AB4C4D17E20 -319.71 3.26 -8.95 -1.05 2
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195255 78666073 1 ON4C24H34 AB4C24D34 34.41 8.6 -7.8 -0.41 0
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195256 78666074 1 ON4C24H32 AB4C24D32 0.78 1.84 -8.92 0.26 0
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195257 78666075 2 NO3C10H10 AB3C10D10 -198.13 3.87 -9.56 -0.74 0
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195258 78666358 1 FON2C18H21 ABC2D18E21 -63.13 2.48 -8.6 -0.18 0
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195259 78666374 1 O2N3C19H23 A2B3C19D23 -56.94 2.71 -8.42 -0.29 0
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195260 78666375 1 ClSN3O3H16C18 ABC3D3E16F18 -32.08 5.14 -9.05 -1.14 0
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195261 78666376 1 O2N3C20H25 A2B3C20D25 -64.66 2.81 -8.39 -0.28 0
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195262 78666489 1 SN3O5C18H21 AB3C5D18E21 -137.94 6.74 -8.65 -0.6 0
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195263 78666584 1 FO2N3C17H18 AB2C3D17E18 -96.42 5.85 -8.4 -0.28 0
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195264 78666649 1 SN2O2C23H24 AB2C2D23E24 -11.62 2.58 -8.23 -0.33 0
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195265 78666650 1 O2N3H21C23 A2B3C21D23 18.94 7.95 -8.58 -0.71 0
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195266 78667034 1 SO2N3C17H19 AB2C3D17E19 -41.07 3.67 -8.44 -0.46 0
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195267 78667395 1 O2N3C21H33 A2B3C21D33 -88.36 1.82 -8.73 0.22 1
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195268 78667396 1 N4O4C21H27 A4B4C21D27 -30.1 16.72 0.0 0.0 0
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195269 78667397 1 N4O4C21H26 A4B4C21D26 -47.77 5.8 -8.92 -1.26 0
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195270 78667398 1 FOSN3H16C18 ABCD3E16F18 -24.06 5.59 -9.09 -1.18 0
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195271 78667399 1 ClSN2O6C12H15 ABC2D6E12F15 -199.29 4.91 -10.17 -1.6 1
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195272 78667400 1 N3O4C24H34 A3B4C24D34 -142.6 4.81 0.0 0.0 0
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195273 78667748 1 N3O4C24H29 A3B4C24D29 -101.35 10.72 -8.59 -0.68 0
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195274 78667925 1 ClSN2O6C16H19 ABC2D6E16F19 -232.16 9.57 -9.87 -0.62 0
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195275 78668059 1 BrO5H15C17 AB5C15D17 -137.45 2.3 -8.87 -0.29 0
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195276 78668060 1 FNSO5H16C20 ABCD5E16F20 -145.67 1.82 -8.86 -0.92 0
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195277 78668061 1 NO7C20H21 AB7C20D21 -222.29 3.16 -8.14 -0.46 0
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195278 78668151 1 SN3O3C23H23 AB3C3D23E23 -5.63 7.75 -9.15 -0.81 0
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195279 78668209 1 NF2O3C21H21 AB2C3D21E21 -198.56 4.89 -9.24 -0.53 0
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195280 78668602 1 SN2O7C18H24 AB2C7D18E24 -255.43 4.39 -9.46 -1.14 0
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195281 78668603 1 N3O5C17H21 A3B5C17D21 -179.18 3.91 -9.38 -0.25 0
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195282 78668604 1 NS2O6C17H17 AB2C6D17E17 -161.81 3.51 -9.41 -1.12 0
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195283 78668605 1 SN3O6C19H23 AB3C6D19E23 -185.54 4.07 -9.63 -1.34 0
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195284 78668606 1 N2O4C23H28 A2B4C23D28 -149.85 8.5 -8.87 0.11 0
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195285 78668607 1 SN2O6C17H22 AB2C6D17E22 -206.51 5.17 -9.32 -0.97 0
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195286 78668608 1 FN2O4C23H25 AB2C4D23E25 -186.24 3.93 -9.58 -0.2 0
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195287 78669693 1 N2O4H18C21 A2B4C18D21 -48.99 5.17 -8.43 -0.64 0
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195288 78669802 1 OS2N4C12H16 AB2C4D12E16 17.06 5.13 -8.97 -0.43 0
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195289 78669809 1 SO2N4C15H20 AB2C4D15E20 -25.57 5.89 -8.83 -0.43 0
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195290 78669810 1 ClFOSN4C13H14 ABCDE4F13G14 -39.77 8.26 -8.85 -0.67 0
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195291 78669811 1 OSCl2N5C12H13 ABC2D5E12F13 16.62 5.69 -9.14 -0.94 0
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195292 78670281 1 N3O5H19C20 A3B5C19D20 -131.17 6.45 -9.44 -0.88 0
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195293 78670282 1 N2O5C21H24 A2B5C21D24 -164.0 3.12 -9.14 -0.4 1
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195294 78670398 1 ClON3C25H27 ABC3D25E27 42.25 4.4 0.0 0.0 1