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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165291 74527555 1 NO2S2C16H19 AB2C2D16E19 -46.95 3.43 -8.85 -1.37 0
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165292 74527624 1 ClNO2S2H10C12 ABC2D2E10F12 -30.94 5.1 -9.34 -1.9 0
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165293 74527881 1 SN2O4H14C19 AB2C4D14E19 -73.69 3.5 -9.4 -1.52 0
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165294 74528789 1 ClN2S3O6H15C19 AB2C3D6E15F19 -133.12 8.29 -9.23 -1.79 0
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165295 74528790 1 NS2O4H17C20 AB2C4D17E20 -78.96 1.11 -8.94 -1.58 0
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165296 74528791 1 NSO5H17C20 ABC5D17E20 -144.23 0.89 -9.23 -1.31 0
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165297 74528792 1 ClNSO5H16C20 ABCD5E16F20 -155.07 3.14 -9.3 -1.45 0
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165298 74528979 1 SN2O6H20C21 AB2C6D20E21 -146.28 6.98 -8.44 -1.16 0
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165299 74529049 1 N2S2O7H18C21 A2B2C7D18E21 -160.16 7.03 -9.31 -1.7 0
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165300 74529050 1 FN2S2O6H15C20 AB2C2D6E15F20 -163.4 6.75 -9.07 -1.83 0
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165301 74529051 1 ClN2S2O6H15C20 AB2C2D6E15F20 -124.81 1.41 -9.19 -1.84 0
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165302 74529052 1 FN2S2O6H15C20 AB2C2D6E15F20 -163.29 4.18 -9.22 -1.91 0
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165303 74529239 1 ClSN2F3O5H16C21 ABC2D3E5F16G21 -280.83 11.12 -9.34 -1.74 0
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165304 74529507 1 SN2O6H16C20 AB2C6D16E20 -191.03 6.54 -9.09 -1.34 0
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165305 74529513 1 SN2O5H18C21 AB2C5D18E21 -155.73 5.73 -9.16 -1.63 0
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165306 74529514 1 SN2O4C22H22 AB2C4D22E22 -109.21 4.12 -9.28 -1.2 0
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165307 74529521 1 ClSN2O4H15C19 ABC2D4E15F19 -112.22 4.1 -8.87 -1.35 0
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165308 74530026 1 N2S2O5C20H24 A2B2C5D20E24 -104.4 5.12 -9.4 -2.22 0
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165309 74530065 1 SN2O5H16C20 AB2C5D16E20 -114.01 5.96 -8.93 -1.37 0
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165310 74530153 1 ClSN2O4H15C20 ABC2D4E15F20 -79.21 7.41 -9.6 -1.45 0
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165311 74530305 1 SN3O7H15C19 AB3C7D15E19 -141.79 8.16 -9.94 -1.74 0
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165312 74530306 1 SN2O4H18C23 AB2C4D18E23 -76.36 8.36 -9.28 -1.23 0
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165313 74530307 1 SN3O4H15C18 AB3C4D15E18 -81.85 8.18 -9.56 -1.57 0
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165314 74530308 1 SN3O4H15C18 AB3C4D15E18 -82.27 6.63 -9.63 -1.39 0
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165315 74530721 1 SN2O4H16C19 AB2C4D16E19 -95.53 6.58 -9.01 -1.35 0
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165316 74531550 1 SN2O4H16C18 AB2C4D16E18 -80.87 2.8 -8.78 -1.08 0
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165317 74531648 1 SN2O3H18C19 AB2C3D18E19 -41.42 3.55 -8.93 -0.95 0
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165318 74531649 1 SN2O3H18C19 AB2C3D18E19 -43.74 6.28 -8.76 -1.16 0
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165319 74531734 1 N4O4C15H18 A4B4C15D18 -90.68 7.79 -9.58 -1.44 0
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165320 74531735 1 OSCl2N4H16C18 ABC2D4E16F18 37.46 6.33 -9.34 -1.19 1
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165321 74531736 1 FO3N4C24H24 AB3C4D24E24 -39.96 4.06 0.0 0.0 0
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165322 74532007 1 SO2N4H14C15 AB2C4D14E15 29.99 5.98 -9.86 -1.84 0
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165323 74532313 1 O2N5C19H25 A2B5C19D25 -10.65 4.39 -9.45 -1.82 0
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165324 74532314 1 O2N5C21H29 A2B5C21D29 -57.66 5.64 -9.3 0.02 0
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165325 74532315 1 O3N5C22H25 A3B5C22D25 -13.43 6.57 -8.97 -1.8 -1
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165326 74532502 1 SN3O3C12H14 AB3C3D12E14 -57.77 6.65 0.0 0.0 -1
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165327 74532651 1 N4O5C24H27 A4B5C24D27 -179.0 6.94 0.0 0.0 1
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165328 74532907 1 FO2N4H24C28 AB2C4D24E28 23.98 4.75 0.0 0.0 0
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165329 74533086 1 ON3C22H25 AB3C22D25 15.61 5.67 -8.16 0.12 0
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165330 74533280 1 ClSF2N2O5H17C21 ABC2D2E5F17G21 -251.38 5.55 -9.14 -1.52 0
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165331 74533344 1 SN3O3H21C23 AB3C3D21E23 -57.81 4.21 -8.57 -1.19 -1
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165332 74534096 1 SN2O5C20H27 AB2C5D20E27 -190.41 4.8 0.0 0.0 -1
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165333 74534370 1 SN2O4C23H31 AB2C4D23E31 -183.15 4.34 0.0 0.0 -1
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165334 74534457 1 N3O7H20C22 A3B7C20D22 -116.34 9.34 0.0 0.0 1
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165335 74534613 1 ClO3N4H18C20 AB3C4D18E20 -19.83 2.85 0.0 0.0 0
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165336 74534614 1 N3O6H23C24 A3B6C23D24 -187.65 3.29 -8.82 -0.78 -1
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165337 74534707 1 N2O6C15H15 A2B6C15D15 -100.5 4.9 0.0 0.0 0
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165338 74534807 1 O2N7C28H29 A2B7C28D29 40.36 8.57 -8.73 -1.22 0
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165339 74534808 1 O4N7C26H31 A4B7C26D31 -42.15 4.92 -8.51 -0.78 0
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165340 74534809 1 ClO2N7C24H26 AB2C7D24E26 15.42 8.28 -8.71 -1.11 0
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165341 74534810 1 FO2N7C24H26 AB2C7D24E26 -22.76 8.41 -8.76 -1.03 0
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165342 74534811 1 O3N7C22H25 A3B7C22D25 -4.65 7.94 -8.8 -1.1 0
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165343 74534812 1 SO2N7C22H25 AB2C7D22E25 29.99 8.01 -8.68 -1.34 0
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165344 74534832 1 O3N7C26H31 A3B7C26D31 -21.67 7.36 -8.75 -0.4 0
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165345 74535292 1 O3N6C22H32 A3B6C22D32 -94.47 6.81 -9.4 -0.42 1
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165346 74535587 1 ClFO2N4H21C27 ABC2D4E21F27 22.86 5.44 0.0 0.0 -1
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165347 74535685 1 ClFSN4O5H15C19 ABCD4E5F15G19 -83.51 4.95 0.0 0.0 -1
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165348 74535857 1 FSN2O6C23H24 ABC2D6E23F24 -180.83 2.5 0.0 0.0 -1
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165349 74535999 1 N2O4H17C22 A2B4C17D22 1.13 10.85 0.0 0.0 0
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165350 74536069 1 SO3N4C20H24 AB3C4D20E24 -75.72 7.48 -8.73 -0.65 0
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165351 74536070 1 SO3N4C19H24 AB3C4D19E24 -99.32 5.03 -8.91 -0.6 0
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165352 74536071 2 ON2C9H10 AB2C9D10 1.47 5.52 -8.99 -0.38 0
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165353 74536072 1 SO3N4C19H24 AB3C4D19E24 -99.51 6.92 -8.72 -0.65 0
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165354 74536563 1 SN3O5C19H21 AB3C5D19E21 -105.85 7.91 -9.61 -1.85 0
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165355 74536725 1 S2N3O6C22H25 A2B3C6D22E25 -205.95 4.0 -9.13 -0.62 1
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165356 74536834 1 NO4C12H24 AB4C12D24 -125.58 3.35 0.0 0.0 -1
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165357 74537266 1 OF3N5H13C21 AB3C5D13E21 -36.34 8.72 0.0 0.0 0
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165358 74537337 1 SCl2N2O3H16C20 AB2C2D3E16F20 -53.91 5.48 -9.04 -1.73 0
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165359 74537338 1 SCl2O2N4H16C20 AB2C2D4E16F20 -21.21 3.24 -8.83 -1.7 0
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165360 74537776 1 NSO6C22H25 ABC6D22E25 -230.61 4.54 -9.23 -1.25 -1
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165361 74538602 1 FNO4C23H23 ABC4D23E23 -126.21 10.48 0.0 0.0 0
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165362 74538784 1 OF4N5H13C17 AB4C5D13E17 -136.05 7.27 -9.17 -1.39 0
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165364 74539341 2 NH9C13 AB9C13 145.49 7.33 -7.75 -1.17 -1
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165365 74540186 1 FNO4H15C22 ABC4D15E22 -67.54 6.43 0.0 0.0 2
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165366 74540476 2 NC12H13 AB12C13 88.55 2.46 -6.92 -0.2 0
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165367 74540741 1 F2N2O3H16C20 A2B2C3D16E20 -102.35 6.63 -9.04 -1.17 0
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165368 74541011 1 N2O3H18C24 A2B3C18D24 -9.25 4.85 -8.77 -0.96 0
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165369 74541298 1 ClO2N5H20C22 AB2C5D20E22 44.84 5.7 -8.92 -1.69 0
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165370 74541334 1 SO2N3C21H31 AB2C3D21E31 -97.37 2.96 -8.76 -0.1 0
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165371 74541335 1 FSO2N4H17C21 ABC2D4E17F21 2.63 4.8 -9.24 -1.78 -2
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165372 74541384 1 ClNO7H18C22 ABC7D18E22 -169.38 10.66 -8.75 -0.93 0
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165373 74541393 1 SN3O4C19H25 AB3C4D19E25 -159.35 6.78 -8.98 -0.37 0
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165374 74541403 1 N2O4C23H26 A2B4C23D26 -115.94 6.62 -8.08 -0.63 1
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165375 74541509 1 N3O5H18C19 A3B5C18D19 -103.64 5.09 0.0 0.0 1
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165376 74541510 1 N3O4H18C19 A3B4C18D19 -72.13 4.2 0.0 0.0 -1
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165377 74541668 1 ON2S2H11C15 AB2C2D11E15 79.24 4.17 0.0 0.0 0
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165378 74542400 1 N4O4H10C17 A4B4C10D17 130.83 4.33 -9.7 -2.24 0
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165379 74542499 1 ClFN4O4C20H28 ABC4D4E20F28 -216.78 2.04 -9.79 -0.98 0
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165380 74542500 1 ClFN4O5C19H26 ABC4D5E19F26 -250.44 4.5 -9.39 -0.62 1
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165381 74543094 1 ClFN3O3H20C22 ABC3D3E20F22 -89.36 10.42 0.0 0.0 0
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165382 74543095 1 SO2N4H20C22 AB2C4D20E22 37.34 8.6 -8.72 -2.25 0
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165383 74543096 1 SN2O4H20C25 AB2C4D20E25 -39.48 3.11 -8.64 -1.61 0
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165384 74544089 1 ClN2O4C21H23 AB2C4D21E23 -150.91 6.21 -9.09 -0.87 0
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165385 74544395 1 ClN2O6C24H27 AB2C6D24E27 -200.46 3.41 -8.77 -0.96 0
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165386 74544488 5 OC4H4 AB4C4 -157.94 10.84 -9.37 -1.06 -1
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165387 74544550 1 NO3C12H12 AB3C12D12 -83.18 11.28 0.0 0.0 0
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165388 74544836 1 BrON2C11H13 ABC2D11E13 -22.2 4.89 -9.65 -0.54 0
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165389 74545079 1 O2N6C19H26 A2B6C19D26 -20.25 4.44 -9.25 -0.8 0
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165390 74545206 1 SO4N5C26H27 AB4C5D26E27 -29.24 7.88 -8.87 -0.79 0
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165391 74545405 1 OSN2H14C17 ABC2D14E17 51.53 2.99 -8.54 -1.27 1