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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230234 87570483 1 PO6C35H71 AB6C35D71 -461.59 3.9 -10.1 0.66 0
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230235 87570485 1 SCl2O2N4C25H34 AB2C2D4E25F34 -65.24 4.98 -8.74 -1.26 0
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230236 87570488 1 NOCl2C5H13 ABC2D5E13 -87.59 3.51 -10.08 0.37 0
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230240 87570496 1 NO7C20H27 AB7C20D27 -241.43 7.81 -8.76 -0.53 0
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230241 87570505 1 NO4C23H29 AB4C23D29 -119.23 4.59 -8.92 0.15 0
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230242 87570507 1 SN3O4C24H33 AB3C4D24E33 -75.94 2.57 -8.5 -0.6 0
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230243 87570509 1 ClFN2O2C21H28 ABC2D2E21F28 -151.32 2.44 -9.27 -0.33 0
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230244 87570511 1 NO6C20H25 AB6C20D25 -160.73 3.13 -9.64 -0.88 0
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230245 87570512 4 O3C10H12 A3B10C12 -246.27 1.19 -8.8 -0.24 0
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230246 87570513 1 SCl2O3N4C24H32 AB2C3D4E24F32 -94.93 1.59 -8.63 -1.25 0
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230247 87570515 1 BrO2F3N6C27H30 AB2C3D6E27F30 -130.95 4.07 -9.04 -1.53 0
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230248 87570517 1 SCl2O3N4C24H32 AB2C3D4E24F32 -99.01 2.9 -8.55 -1.25 0
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230249 87570518 1 S2N3O7C26H27 A2B3C7D26E27 -176.46 10.78 -9.07 -1.09 0
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230250 87570519 1 ClS2N3O6C22H26 AB2C3D6E22F26 -180.13 8.13 -9.32 -1.3 0
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230251 87570521 1 N2S2O8C9H22 A2B2C8D9E22 -376.88 11.2 -10.23 -0.97 0
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230252 87570522 1 N2S2O7C9H20 A2B2C7D9E20 -319.67 6.51 -10.1 -1.07 0
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230253 87570524 1 O5H18C21 A5B18C21 -150.5 3.57 -9.34 -1.16 0
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230254 87570527 1 NC7O8H9 AB7C8D9 -337.84 3.14 -10.67 -0.54 0
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230255 87570530 1 Cl2N2O5H10C18 A2B2C5D10E18 -119.88 6.18 -10.12 -2.14 0
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230256 87570531 1 NO5C21H31 AB5C21D31 -184.98 4.19 -9.27 -0.05 0
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230257 87570533 1 NS2Cl3F3O10C31H35 AB2C3D3E10F31G35 -548.68 5.77 -9.23 -1.24 0
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230258 87570534 1 ClO4N5C21H30 AB4C5D21E30 -148.94 2.86 -9.41 -0.74 0
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230259 87570535 1 ClFO3N5C29H39 ABC3D5E29F39 -168.94 6.56 -8.82 -0.69 0
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230260 87570538 1 SCl2O3N8C25H36 AB2C3D8E25F36 -62.83 3.51 -8.52 -1.28 0
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230261 87570539 1 SN3O3F4H25C28 AB3C3D4E25F28 -189.59 2.1 -8.93 -1.66 0
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230262 87570540 1 Cl2S2O3N4C22H32 A2B2C3D4E22F32 -126.25 3.99 -8.57 -1.28 0
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230263 87570541 1 NSO6C29H33 ABC6D29E33 -170.58 1.48 -8.4 -0.6 0
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230264 87570542 1 NSO6C29H33 ABC6D29E33 -169.33 4.94 -8.39 -0.42 0
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230265 87570543 1 O9C28H28 A9B28C28 -343.11 0.71 -8.49 -0.18 0
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230266 87570544 1 NOC9H13 ABC9D13 -8.08 4.55 -9.42 0.98 0
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230267 87570545 1 N2O3C20H26 A2B3C20D26 -86.73 5.75 -8.57 -0.63 0
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230268 87570546 1 SC3O4H6 AB3C4D6 -152.2 4.13 -11.25 -1.06 0
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230269 87570547 1 ClSO2N6C26H37 ABC2D6E26F37 -45.34 6.65 -8.7 -0.64 0
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230270 87570550 1 FN2S2O4H19C22 AB2C2D4E19F22 -126.81 5.05 -9.18 -1.75 0
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230271 87570551 1 ClSO2N3H12C16 ABC2D3E12F16 12.12 6.57 -9.2 -1.02 0
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230272 87570552 1 N2O5C15H24 A2B5C15D24 -186.15 1.95 -9.19 -0.69 1
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230273 87570554 1 NO4C9H18 AB4C9D18 -170.49 4.9 0.0 0.0 0
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230274 87570557 1 NSF3O5C25H30 ABC3D5E25F30 -330.92 4.87 -8.98 -1.63 0
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230275 87570558 1 O9C12H14 A9B12C14 -322.88 1.07 -10.42 -0.52 0
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230276 87570560 1 LiNO3C13H13 ABC3D13E13 -82.63 10.21 0.0 0.0 0
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230277 87570561 2 O2C5H8 A2B5C8 -155.49 6.26 -9.48 0.38 0
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230278 87570567 1 NSF3O5C25H30 ABC3D5E25F30 -328.54 2.95 -8.9 -1.57 0
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230279 87570570 1 SO3C6H16 AB3C6D16 -123.89 6.55 -8.05 1.21 0
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230280 87570574 1 NO5C19H27 AB5C19D27 -179.82 3.78 -8.87 0.15 0
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230281 87570575 1 ClSN2O5H15C16 ABC2D5E15F16 -118.47 6.32 -9.58 -0.91 0
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230282 87570577 1 ClN4O4C23H37 AB4C4D23E37 -167.84 2.12 -8.57 -0.45 0
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230283 87570578 1 O5N12C43H66 A5B12C43D66 -83.59 12.89 -8.45 -1.75 0
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230284 87570579 2 ON2H10C11 AB2C10D11 23.54 8.46 -8.94 -0.9 0
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230285 87570580 1 NNaSF2O5C13H19 ABCD2E5F13G19 -385.43 12.85 0.0 0.0 0
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230286 87570583 1 ClFON3H13C16 ABCD3E13F16 7.52 5.9 -8.79 -1.63 0
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230287 87570586 1 OSN7H15C22 ABC7D15E22 211.79 11.51 -8.54 -1.4 0
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230288 87570587 1 Si2O6C11H25 A2B6C11D25 -265.46 5.58 0.0 0.0 0
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230289 87570589 2 OC5H7 AB5C7 -58.25 1.56 -9.95 -0.2 0
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230290 87570590 1 ClNSF6O11C34H34 ABCD6E11F34G34 -725.42 8.58 -9.99 -1.65 0
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230291 87570592 1 PdC3O3H6 AB3C3D6 -67.6 3.37 -7.48 0.13 1
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230292 87570596 1 ClON6C14H18 ABC6D14E18 116.52 4.77 0.0 0.0 0
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230293 87570599 2 OC4H6 AB4C6 -18.18 0.11 -10.05 0.69 0
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230294 87570600 1 NO3F6C22H23 AB3C6D22E23 -421.24 4.75 -9.77 -0.79 0
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230295 87570604 1 FN2S2O4H19C22 AB2C2D4E19F22 -126.2 4.03 -9.11 -1.57 -1
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230296 87570605 1 N2O8H21C22 A2B8C21D22 -75.27 6.09 0.0 0.0 0
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230297 87570610 4 O3C10H12 A3B10C12 -267.4 5.62 -8.68 0.31 0
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230298 87570613 4 O3C10H12 A3B10C12 -232.18 2.2 -7.85 -0.39 0
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230299 87570614 1 ClSO2N5C25H32 ABC2D5E25F32 -28.85 4.66 -8.87 -0.77 0
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230300 87570615 1 O5N12C39H62 A5B12C39D62 -98.06 10.95 -7.78 -1.27 0
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230301 87570616 2 O3C11H12 A3B11C12 -239.55 1.18 -8.5 -0.18 0
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230302 87570617 1 ClO3C6H9 AB3C6D9 -140.05 2.24 -10.86 -0.61 0
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230303 87570618 1 F2N2O10C23H30 A2B2C10D23E30 -483.55 5.17 -9.0 -0.17 0
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230304 87570620 1 ClSO2N5H16C23 ABC2D5E16F23 69.32 6.61 -9.11 -1.22 0
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230305 87570622 1 FN2O9C24H31 AB2C9D24E31 -380.56 5.05 -8.88 0.05 0
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230306 87570623 1 F2N2O7C21H28 A2B2C7D21E28 -373.9 3.79 -9.39 -0.06 0
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230307 87570624 1 N2O5C21H28 A2B5C21D28 -154.22 7.21 -8.12 -0.08 0
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230308 87570627 1 NO2C9H13 AB2C9D13 -43.69 6.52 -9.33 -0.58 0
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230309 87570628 1 NO6C22H29 AB6C22D29 -205.1 3.98 -8.69 -0.34 0
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230310 87570629 4 O3C10H12 A3B10C12 -264.32 3.63 -8.4 0.16 0
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230311 87570630 1 O6C25H32 A6B25C32 -151.8 5.44 -8.74 0.33 0