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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138213 52328619 1 FOCl2N4H15C24 ABC2D4E15F24 58.84 4.76 -9.26 -1.44 0
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138214 52328620 1 FOCl2N4H15C24 ABC2D4E15F24 61.35 6.12 -9.34 -1.52 1
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138215 52328760 1 O2N4C20H25 A2B4C20D25 -3.05 5.59 0.0 0.0 0
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138216 52329037 1 NOC15H23 ABC15D23 -59.48 3.56 -9.3 0.42 0
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138217 52329159 1 ClNO2C18H18 ABC2D18E18 -48.55 1.5 -9.44 -0.63 0
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138218 52329188 1 N2O5C22H26 A2B5C22D26 -150.26 7.95 -8.35 0.08 0
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138219 52329282 1 ClOSN4H21C26 ABCD4E21F26 102.25 5.25 -8.33 -1.23 0
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138220 52329393 2 ON2C11H14 AB2C11D14 -49.42 3.99 -8.36 -0.36 0
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138221 52329664 1 ClOS2N4H19C24 ABC2D4E19F24 114.12 7.74 -8.45 -1.38 0
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138222 52329829 1 ClOSF2N4H17C25 ABCD2E4F17G25 20.44 3.78 -8.49 -1.45 0
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138223 52330277 1 NO8C29H43 AB8C29D43 -318.69 5.8 -8.72 -0.32 0
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138224 52330838 1 N4O7H18C19 A4B7C18D19 -134.38 4.56 -9.08 -1.57 0
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138225 52330889 1 NO3C18H27 AB3C18D27 -121.63 4.01 -8.21 0.28 0
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138226 52331154 1 ClNS2O3C17H18 ABC2D3E17F18 -100.97 9.5 -8.92 -1.3 0
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138227 52331533 1 ON3C20H29 AB3C20D29 -37.7 0.92 -9.08 0.24 0
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138228 52331564 1 FO4N5H8C14 AB4C5D8E14 7.71 7.62 -10.39 -2.0 1
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138229 52331811 1 FSO2N4H10C16 ABC2D4E10F16 30.72 7.88 0.0 0.0 1
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138230 52331910 1 O2N3C17H20 A2B3C17D20 -4.2 3.97 0.0 0.0 0
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138231 52332031 1 ON5C19H25 AB5C19D25 17.08 4.3 -8.89 -0.32 0
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138232 52332093 1 N3O3C16H19 A3B3C16D19 -81.39 9.93 -8.8 -0.36 0
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138233 52332266 1 SN4O5C14H22 AB4C5D14E22 -189.69 6.26 -8.41 -0.11 -1
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138234 52332267 1 SN3O5C18H22 AB3C5D18E22 -121.79 4.37 0.0 0.0 0
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138235 52332350 1 ON5C24H29 AB5C24D29 37.77 2.31 -8.2 -0.41 0
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138236 52332545 1 N2O3H20C22 A2B3C20D22 -50.66 7.87 -8.34 -0.85 0
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138237 52332550 1 O2N3C22H23 A2B3C22D23 -24.6 4.32 -8.67 -0.95 0
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138238 52332552 1 O2N3C22H25 A2B3C22D25 -48.04 6.57 -8.65 -0.19 0
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138239 52332857 1 FO2N6C18H19 AB2C6D18E19 -23.25 3.51 -9.03 -1.17 1
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138240 52332858 1 O3N5C20H30 A3B5C20D30 -84.46 4.55 0.0 0.0 1
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138241 52332859 1 O4N5C19H24 A4B5C19D24 -78.16 3.58 0.0 0.0 0
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138242 52332895 1 FN4O4C18H19 AB4C4D18E19 -100.52 6.3 -9.73 -1.53 0
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138243 52332896 1 FN3O4C18H26 AB3C4D18E26 -220.42 1.6 -9.13 -0.32 0
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138244 52332897 1 FN3O4C18H26 AB3C4D18E26 -222.11 1.41 -9.23 -0.38 0
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138245 52332898 1 FN2O2C18H21 AB2C2D18E21 -93.16 1.67 -9.0 -0.27 0
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138246 52333467 1 SN2O3C19H22 AB2C3D19E22 -104.62 4.98 -9.23 -1.26 0
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138247 52333510 1 O2N4C17H22 A2B4C17D22 -41.22 6.0 -9.36 0.32 0
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138248 52333523 1 O2N3C21H23 A2B3C21D23 -34.75 2.11 -8.4 -0.04 0
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138249 52333524 1 ClSO2N3H20C21 ABC2D3E20F21 -28.82 4.24 -9.51 -1.12 0
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138250 52333574 1 ClON4H13C18 ABC4D13E18 86.31 4.9 -9.4 -1.31 0
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138251 52334001 1 BrO2N4H19C25 AB2C4D19E25 83.27 6.87 -9.23 -1.21 0
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138252 52334026 1 N2O3H20C21 A2B3C20D21 -36.32 6.14 -8.98 -0.53 0
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138253 52334312 1 SO2N3C17H21 AB2C3D17E21 -3.86 5.63 -8.84 -0.74 0
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138254 52334451 1 Cl2N2O2C17H24 A2B2C2D17E24 -124.12 5.2 -9.41 -0.44 0
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138255 52334500 1 O3N4H24C27 A3B4C24D27 36.48 6.29 -8.73 -1.11 0
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138256 52334583 1 OCl2N5H15C23 AB2C5D15E23 114.73 4.37 -9.44 -1.62 0
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138257 52334624 1 ClOSN4H19C25 ABCD4E19F25 112.72 5.97 -8.78 -1.4 0
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138258 52334625 1 ClOSN4H19C25 ABCD4E19F25 117.63 5.64 -8.96 -1.48 0
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138259 52335942 1 N3O3C22H23 A3B3C22D23 -19.16 4.8 -9.04 -0.62 0
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138260 52335943 1 N3O3C22H23 A3B3C22D23 -18.93 4.48 -9.05 -0.65 0
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138261 52336191 1 O3N4H18C19 A3B4C18D19 8.06 7.84 -9.39 -1.04 0
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138262 52336192 1 BrSO2N4C14H17 ABC2D4E14F17 -18.76 6.54 -9.19 -1.32 1
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138263 52336431 1 O2N6C20H33 A2B6C20D33 -47.69 7.9 0.0 0.0 1
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138264 52336451 1 N3O3C20H32 A3B3C20D32 -116.3 7.71 0.0 0.0 0
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138265 52336452 1 N3O3C20H31 A3B3C20D31 -132.8 5.54 -8.83 0.05 1
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138266 52336453 1 N3O3C20H32 A3B3C20D32 -114.07 4.7 0.0 0.0 0
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138267 52336454 1 N3O3C20H31 A3B3C20D31 -131.74 4.57 -8.89 0.18 0
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138268 52336520 1 O2N3C8H11 A2B3C8D11 -50.63 1.49 -9.97 -1.01 0
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138269 52336780 1 NOF2C17H17 ABC2D17E17 -94.13 2.9 -9.04 -0.4 1
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138270 52336797 1 OCl3N4C15H16 AB3C4D15E16 50.71 34.38 0.0 0.0 0
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138271 52336798 1 OCl3N4C15H15 AB3C4D15E15 20.56 5.25 -8.62 -1.66 1
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138272 52337096 1 O2N3C24H28 A2B3C24D28 9.9 4.27 0.0 0.0 0
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138273 52337485 1 SN2O4H20C21 AB2C4D20E21 -82.43 6.16 -8.49 -1.52 0
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138274 52337486 1 O4N5H19C20 A4B5C19D20 7.69 5.39 -8.82 -1.67 0
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138275 52337860 2 ON2C11H12 AB2C11D12 37.06 2.68 -9.12 -0.75 0
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138276 52338072 1 N3O4C21H29 A3B4C21D29 -175.52 7.64 -8.54 0.34 0
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138277 52338313 1 FSN3O4H20C22 ABC3D4E20F22 -96.97 3.12 -8.6 -1.48 0
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138278 52338473 1 BrSO2N4H13C15 ABC2D4E13F15 16.69 5.05 -8.48 -1.32 0
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138279 52339112 1 O3N4C22H32 A3B4C22D32 -110.53 4.37 -8.66 -0.03 0
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138280 52339307 1 N4O5H18C19 A4B5C18D19 -30.66 9.55 -9.62 -1.6 0
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138281 52340114 1 ClNO4C18H18 ABC4D18E18 -135.38 1.53 -8.96 -1.19 0
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138282 52340115 1 ClNO4C18H18 ABC4D18E18 -135.37 1.67 -8.86 -1.23 1
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138283 52340280 1 ClF2O2N4C25H26 AB2C2D4E25F26 -77.59 13.07 0.0 0.0 1
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138284 52340336 1 FSO2N4C24H28 ABC2D4E24F28 -20.35 9.89 0.0 0.0 0
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138285 52340414 1 N2O4C25H26 A2B4C25D26 -91.87 4.16 -8.49 -0.57 0
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138286 52340525 1 ClN2O3H19C22 AB2C3D19E22 -44.88 6.27 -8.54 -0.62 0
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138287 52340811 2 NO2C10H12 AB2C10D12 -149.87 3.99 -8.46 -0.23 0
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138288 52340907 1 N2O4C19H26 A2B4C19D26 -156.43 2.22 -8.93 0.12 0
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138289 52340915 2 NO3C9H12 AB3C9D12 -252.71 5.69 -9.42 -0.49 1
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138290 52341187 1 F2N2O3C21H25 A2B2C3D21E25 -153.58 4.71 0.0 0.0 0
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138291 52341188 1 F2N2O3C21H24 A2B2C3D21E24 -165.1 4.18 -8.55 -0.17 1
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138292 52341258 1 Cl2N2O2C16H23 A2B2C2D16E23 -73.53 6.56 0.0 0.0 0
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138293 52341564 1 OSN3C18H23 ABC3D18E23 8.13 12.14 -7.74 0.01 0
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138294 52341624 1 S2N3O4C17H27 A2B3C4D17E27 -165.39 5.35 -9.54 -0.99 0
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138295 52342331 1 FS2N4H13C17 AB2C4D13E17 89.38 6.86 -8.54 -0.98 0
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138296 52342335 1 SN3O4C16H19 AB3C4D16E19 -51.3 9.35 -9.02 -1.08 1
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138297 52342498 1 ClN2O2C16H24 AB2C2D16E24 -61.13 4.92 0.0 0.0 0
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138298 52342761 1 SO2N4C17H28 AB2C4D17E28 -56.73 1.04 -8.86 -0.12 0
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138299 52342770 1 SO2N4C16H32 AB2C4D16E32 -100.22 4.95 -8.58 0.0 0
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138300 52342771 1 SO2N4C13H26 AB2C4D13E26 -65.67 2.22 -8.89 -0.13 0
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138301 52343023 1 NSO3H11C14 ABC3D11E14 -50.72 6.07 -9.41 -1.33 0
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138302 52343024 1 N4O5H18C20 A4B5C18D20 -54.18 4.34 -9.79 -1.46 2
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138303 52343331 1 OSN4C16H30 ABC4D16E30 -9.03 8.6 -7.48 -0.42 0
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138304 52343332 1 OSN4C16H28 ABC4D16E28 -39.65 3.19 -8.4 -0.13 1
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138305 52343333 1 FOSN3C16H21 ABCD3E16F21 -72.33 5.05 0.0 0.0 0
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138306 52343892 1 O2N3C20H29 A2B3C20D29 -50.77 7.76 -8.69 -0.45 1
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138307 52344425 1 ON2C16H23 AB2C16D23 22.88 3.96 0.0 0.0 1
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138308 52344538 1 FN2O3C20H24 AB2C3D20E24 -113.32 3.24 0.0 0.0 0
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138309 52345178 1 N2O5C18H28 A2B5C18D28 -186.05 3.12 -8.72 0.12 0
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138310 52345288 1 FN2O4C20H23 AB2C4D20E23 -156.59 5.42 -8.87 -0.01 1
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138311 52345289 1 N2F3O3C18H20 A2B3C3D18E20 -210.77 4.18 0.0 0.0 0
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138312 52345290 1 N2F3O3C18H19 A2B3C3D18E19 -230.19 4.88 -9.03 -0.61 0