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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317227 126634526 1 N3O4C12H21 A3B4C12D21 -205.45 4.82 -9.43 0.57 0
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317228 126634547 1 FSO2N3C32H36 ABC2D3E32F36 -56.33 2.77 -8.42 -0.84 0
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317229 126634553 1 FNO2C21H30 ABC2D21E30 -145.78 2.03 -7.95 0.08 0
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317230 126634558 1 FNO3H16C23 ABC3D16E23 -53.27 3.57 -8.79 -1.27 0
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317231 126634567 1 ClSO2N4C24H33 ABC2D4E24F33 -60.5 4.41 -8.69 -0.78 0
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317233 126634582 1 ON2C11H24 AB2C11D24 -57.06 2.75 -9.11 1.58 0
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317235 126634626 1 N4O5C32H34 A4B5C32D34 -50.64 2.59 -8.38 -0.98 0
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317236 126634639 1 OF5C25H39 AB5C25D39 -351.85 5.15 -9.8 -0.66 0
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317238 126634663 1 N3S3C17H17 A3B3C17D17 97.57 2.61 -8.24 -0.72 0
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317239 126634672 1 N4H42C65 A4B42C65 475.35 3.02 -8.09 -1.86 0
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317240 126634682 1 OS3N5C19H19 AB3C5D19E19 80.88 2.62 -8.38 -1.13 0
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317241 126634702 1 N2O2C21H32 A2B2C21D32 -86.61 2.8 -7.82 0.24 0
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317242 126634704 1 NO3C23H27 AB3C23D27 -86.22 5.18 -8.36 -0.05 0
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317245 126634718 1 ON3S4C19H19 AB3C4D19E19 69.26 2.51 -8.36 -1.29 0
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317249 126634736 2 F3C10H12 A3B10C12 -307.67 5.14 -9.47 -0.11 0
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317252 126635176 1 ClON2S2C19H25 ABC2D2E19F25 -16.9 2.69 -8.73 -1.21 0
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317254 126635199 1 FOS2N3C14H16 ABC2D3E14F16 -31.32 1.6 -8.77 -1.56 0
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317256 126635245 1 FNO2H8C9 ABC2D8E9 -60.98 6.96 -9.76 -0.94 1
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317257 126635247 1 ON2C19H29 AB2C19D29 -18.54 3.21 0.0 0.0 0
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317261 126635268 1 N5O12C36H57 A5B12C36D57 -565.82 10.57 -9.51 -0.55 0
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317262 126635269 1 BrFSN3H7C9 ABCD3E7F9 18.88 5.21 -8.69 -1.27 0
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317263 126635270 1 ClON2S2C9H13 ABC2D2E9F13 -16.41 3.97 -8.79 -0.83 0
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317264 126635276 1 O3N4C33H36 A3B4C33D36 -79.12 11.02 -8.64 -0.7 0
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317266 126635278 1 OSN3C23H35 ABC3D23E35 -29.66 4.94 -8.66 -0.96 0
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317267 126635279 1 O2N4C29H38 A2B4C29D38 -67.21 1.94 -8.51 -0.37 0
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317269 126635294 1 NO2C17H19 AB2C17D19 -32.95 5.86 -7.65 -0.39 0
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317271 126635297 1 ClOS2N3C18H18 ABC2D3E18F18 27.78 5.48 -9.15 -0.66 0
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317273 126635303 1 SO2N4C14H14 AB2C4D14E14 2.32 4.72 -8.99 -1.21 0
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317274 126635307 1 BrSO2N3C14H16 ABC2D3E14F16 -36.03 1.55 -9.16 -1.49 0
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317275 126635308 1 NSO2C28H45 ABC2D28E45 -110.48 4.22 -8.53 -0.14 0
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317277 126635349 1 ClSN3C12H16 ABC3D12E16 57.53 1.6 -8.2 -0.59 0
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317278 126635357 1 OSCl3N3H12C16 ABC3D3E12F16 62.31 1.86 -9.6 -1.48 0
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317279 126635359 1 OS2N3C14H19 AB2C3D14E19 8.8 2.37 -8.73 -0.45 0
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317280 126635361 1 ON2C17H26 AB2C17D26 -10.7 4.77 -8.26 -0.02 0
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317281 126635370 1 N2O6H38C39 A2B6C38D39 -154.08 5.8 -9.49 -1.47 0
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317283 126635380 1 ClO2S2N3C15H20 AB2C2D3E15F20 -31.33 7.82 -8.67 -1.08 0
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317293 126635414 1 NO3C17H19 AB3C17D19 -82.42 4.23 -9.23 -0.71 0
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317294 126635420 1 NO6C29H47 AB6C29D47 -169.64 3.47 -8.6 0.32 0
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317298 126635448 1 NOSC11H15 ABCD11E15 -0.6 3.9 -8.47 -0.18 0
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317299 126635449 1 OSN3C17H23 ABC3D17E23 -9.4 4.4 -8.86 -1.09 0
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317300 126635450 1 O2N3C29H33 A2B3C29D33 -54.5 9.06 -8.5 -0.47 0
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317301 126635455 1 N2O4C23H28 A2B4C23D28 -132.06 4.95 -9.15 -0.68 0
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317303 126635477 1 S2N3O3C13H15 A2B3C3D13E15 -69.22 3.05 -8.72 -1.06 0
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317304 126635486 1 ClOSN3H10C12 ABCD3E10F12 15.17 7.14 -8.7 -1.02 0
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317306 126635495 1 ClOS2N3C15H20 ABC2D3E15F20 -4.68 7.37 -8.44 -1.44 0
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317307 126635497 1 O8N9C62H81 A8B9C62D81 -313.95 3.28 -8.52 -0.12 0
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317308 126635500 1 OS2N5C17H19 AB2C5D17E19 50.03 3.19 -8.76 -1.23 0
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317310 126635524 1 ClFOSN3H13C14 ABCDE3F13G14 -10.53 0.63 -9.64 -1.8 0
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317311 126635543 1 N2O2H20C21 A2B2C20D21 -15.48 5.23 -8.87 -0.56 0
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317312 126635545 1 F3O3N5C23H28 A3B3C5D23E28 -227.32 4.12 -8.4 -0.32 0
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317313 126635563 1 O2F3N5C21H24 A2B3C5D21E24 -177.81 4.9 -8.84 -0.63 0
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317314 126635565 1 BrClOH14C16 ABCD14E16 -12.54 2.33 -9.61 -0.93 0
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317315 126635583 1 ON2Cl3C25H25 AB2C3D25E25 -4.43 8.05 -8.94 -0.66 0
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317316 126635589 1 OSN3C25H25 ABC3D25E25 31.85 5.2 -7.92 -0.41 0
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317317 126635591 1 NC11H13 AB11C13 136.77 2.0 -8.42 -0.01 0
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317318 126635597 2 NC4H6 AB4C6 45.38 3.65 -9.33 -0.52 0
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317319 126635605 1 N2C11H18 A2B11C18 19.51 1.16 -7.71 1.11 0
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317320 126635615 1 N3O3C10H13 A3B3C10D13 -63.26 3.82 -8.37 -0.84 0
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317322 126635621 1 NO3C18H21 AB3C18D21 42.44 4.78 -8.17 -0.26 0
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317323 126635636 1 NC8H13 AB8C13 31.32 1.73 -9.1 0.16 0
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317324 126635791 1 ClON6C22H23 ABC6D22E23 67.21 1.27 -8.97 -0.43 0
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317325 126635890 2 NOH14C15 ABC14D15 72.34 3.46 -8.25 -0.3 0
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317327 126635999 1 OC9H14 AB9C14 -44.15 0.98 -8.64 0.48 0
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317328 126636000 2 N2O4H23C28 A2B4C23D28 -54.83 1.37 -8.72 -1.03 0
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317330 126636137 1 IO2H9C13 AB2C9D13 -1.74 1.36 -8.46 -1.35 0
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317331 126636158 1 N2S2H38C53 A2B2C38D53 245.85 2.14 -8.06 -0.73 0
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317333 126636196 1 ClF2O2N3H14C18 AB2C2D3E14F18 -88.21 2.2 -8.76 -0.79 0
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317334 126636197 1 NF2O2H21C24 AB2C2D21E24 -83.34 2.09 -8.51 -0.48 0
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317336 126636329 1 FNO9C37H50 ABC9D37E50 -431.59 4.51 -8.84 -0.66 0
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317337 126636387 1 FON2C25H27 ABC2D25E27 -23.14 5.78 -7.76 -0.27 0
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317339 126636420 1 N2F3O3C20H23 A2B3C3D20E23 -283.88 0.3 -9.32 -0.63 0
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317343 126636666 1 ClN2O3F4H15C20 AB2C3D4E15F20 -244.92 6.14 -9.13 -1.02 0
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317344 126636669 1 FNO7C21H28 ABC7D21E28 -350.44 2.47 -9.1 -0.62 0
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317346 126636678 1 SO2F3N4H13C15 AB2C3D4E13F15 -151.13 3.49 -8.78 -1.68 0
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317347 126636682 1 NO2F6H7C14 AB2C6D7E14 -317.99 2.6 -10.31 -1.86 0