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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397432 135030210 1 INSO2H18C22 ABCD2E18F22 15.32 6.85 -8.52 -0.85 0
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397433 135030211 1 ISN2O2H15C22 ABC2D2E15F22 55.32 6.83 -8.92 -1.13 0
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397434 135030214 1 ISN2O4C19H19 ABC2D4E19F19 -34.17 9.31 -9.09 -1.27 0
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397435 135030215 1 INSO2H16C18 ABCD2E16F18 9.6 7.08 -8.6 -0.83 0
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397436 135030218 1 O6C19H20 A6B19C20 -172.89 2.82 -8.42 -0.68 0
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397437 135030219 1 NO3C12H13 AB3C12D13 -81.98 5.07 -10.2 -0.9 0
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397438 135030220 2 O2C9H13 A2B9C13 -157.37 3.96 -8.66 0.32 0
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397439 135030221 1 N2O5C22H24 A2B5C22D24 -118.6 4.09 -9.61 -0.6 0
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397440 135030222 1 N2O4C15H16 A2B4C15D16 -85.38 6.01 -9.66 -0.53 0
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397441 135030223 1 O2N3H9C12 A2B3C9D12 1.29 4.11 -10.41 -0.99 0
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397442 135030224 1 SN6O6C26H34 AB6C6D26E34 -175.22 4.73 -8.32 -0.85 0
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397443 135030225 1 ON4C18H22 AB4C18D22 20.64 6.8 -8.52 -0.22 0
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397444 135030226 1 ON3H9C10 AB3C9D10 55.81 6.06 -9.75 -0.94 0
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397445 135030227 1 SN2O3H12C17 AB2C3D12E17 -41.47 2.91 -9.02 -1.32 0
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397446 135030228 1 SO2N3H21C29 AB2C3D21E29 88.4 5.24 -8.49 -1.51 0
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397447 135030230 1 N2O2F3C27H27 A2B2C3D27E27 -162.54 5.04 -9.15 -0.97 0
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397448 135030232 1 N2O4H18C19 A2B4C18D19 -127.06 4.19 -8.72 -0.3 1
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397449 135030233 1 NO2C11H16 AB2C11D16 -18.67 6.78 0.0 0.0 0
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397450 135030234 8 C2H3 A2B3 -24.09 1.05 -8.97 0.55 0
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397451 135030236 1 BrClO8N9C29H33 ABC8D9E29F33 -291.44 9.68 -9.13 -0.78 0
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397452 135030237 1 PO6C16H19 AB6C16D19 -258.75 0.55 -8.19 -0.14 0
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397453 135030238 1 ClO6H25C26 AB6C25D26 -186.55 4.33 -9.01 -0.68 0
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397454 135030239 1 ClO6H25C26 AB6C25D26 -184.77 3.9 -8.95 -0.58 0
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397455 135030240 1 ClO6H23C25 AB6C23D25 -193.81 6.08 -8.84 -0.5 0
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397456 135030241 1 ClO5H21C23 AB5C21D23 -147.41 1.97 -8.58 -0.27 -1
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397457 135030242 1 PO5H6C7 AB5C6D7 -170.1 3.08 0.0 0.0 0
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397458 135030243 1 BrSN2O2C17H21 ABC2D2E17F21 -62.0 2.36 -8.98 -0.99 0
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397459 135030244 1 BrSN2O2C17H21 ABC2D2E17F21 -61.53 3.98 -8.71 -0.93 0
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397460 135030245 1 BrOSN2C17H21 ABCD2E17F21 -24.3 3.95 -9.01 -0.99 0
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397461 135030246 1 ON3C28H31 AB3C28D31 77.0 8.93 -8.9 -0.8 0
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397462 135030247 1 ON3F6H13C22 AB3C6D13E22 -199.29 5.27 -9.51 -1.72 0
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397463 135030248 1 OF2N3H13C20 AB2C3D13E20 28.7 6.82 -9.27 -1.32 0
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397464 135030249 1 N3O3H23C24 A3B3C23D24 29.58 10.95 -8.77 -0.78 0
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397465 135030250 1 ON3H23C24 AB3C23D24 85.08 8.48 -8.9 -0.65 0
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397466 135030251 1 OS2N3H11C16 AB2C3D11E16 135.6 7.39 -9.13 -1.37 0
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397467 135030252 1 ON3H7C8 AB3C7D8 74.05 7.7 -9.1 -0.54 0
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397468 135030253 1 OF2N3H17C22 AB2C3D17E22 13.51 7.91 -9.16 -1.1 0
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397469 135030254 1 O2N3H17C20 A2B3C17D20 104.41 8.0 -9.38 -0.6 -1
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397470 135030255 1 O2N3H16C20 A2B3C16D20 157.43 5.11 0.0 0.0 0
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397471 135030256 1 O2N3H17C20 A2B3C17D20 116.03 4.47 -8.88 -0.8 0
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397472 135030257 1 O2N3H17C20 A2B3C17D20 124.54 3.17 -9.21 -1.46 0
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397473 135030258 1 O2N3H17C20 A2B3C17D20 109.79 8.04 -8.87 -0.65 0
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397474 135030260 1 OC19H34 AB19C34 -66.96 1.99 -9.24 1.32 0
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397476 135030262 1 OC19H34 AB19C34 -111.0 3.82 -9.62 0.9 0
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397477 135030263 1 O3N5C26H35 A3B5C26D35 -21.25 8.02 -9.59 -0.93 0
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397478 135030264 1 ON5C25H37 AB5C25D37 24.8 7.17 -9.09 -0.81 0
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397479 135030265 1 O2N5C24H35 A2B5C24D35 -24.92 6.02 -9.16 -0.9 0
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397480 135030266 1 O4N6C25H34 A4B6C25D34 -39.11 6.65 -9.08 -0.82 0
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397481 135030267 1 O4N6C25H34 A4B6C25D34 -35.5 8.37 -9.57 -0.91 0
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397482 135030272 1 OSiC24H26 ABC24D26 60.6 2.82 -8.91 -0.36 0
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397483 135030273 1 OSiC24H26 ABC24D26 61.76 3.13 -8.89 -0.24 0
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397484 135030274 1 SN2O2C33H34 AB2C2D33E34 5.23 6.24 -8.84 -0.41 0
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397485 135030276 4 H7C8 A7B8 83.64 0.45 -8.33 -0.36 0
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397486 135030277 1 N3O6C26H43 A3B6C26D43 -286.31 3.41 -9.56 -0.76 0
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397487 135030278 1 OH26C41 AB26C41 193.58 2.12 -8.24 -0.79 0
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397488 135030279 1 NOH19C22 ABC19D22 25.83 3.44 -8.58 0.04 0
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397489 135030281 1 FNOH16C21 ABCD16E21 -12.02 1.54 -8.9 -0.36 0
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397490 135030293 1 NSO3H15C20 ABC3D15E20 -10.97 6.78 -9.28 -0.84 0
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397491 135030295 1 NOC19H19 ABC19D19 2.92 1.83 -8.87 -0.49 0
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397492 135030297 1 N2O3C18H18 A2B3C18D18 -89.6 4.26 -8.98 -0.46 0
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397493 135030299 1 N2O2F3H15C18 A2B2C3D15E18 -210.32 1.53 -9.59 -1.0 0
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397495 135030301 1 NO2F3H14C16 AB2C3D14E16 -215.57 3.19 -9.07 -0.7 0
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397496 135030302 1 ClNO2H16C20 ABC2D16E20 -18.91 1.21 -9.14 -0.66 0
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397497 135030303 1 NOC22H23 ABC22D23 41.33 0.93 -8.31 0.15 0
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397498 135030304 1 NOC23H25 ABC23D25 43.63 3.36 -8.18 0.24 0
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397499 135030305 1 NOC19H23 ABC19D23 25.17 4.09 -8.45 0.24 0
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397500 135030306 1 ON2C20H30 AB2C20D30 0.65 1.4 -8.08 0.36 0
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397501 135030307 1 NOC23H25 ABC23D25 41.51 1.31 -7.99 0.35 0
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397502 135030308 1 N2O2C21H32 A2B2C21D32 -33.29 0.94 -8.13 0.37 0
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397503 135030309 1 NO2C23H25 AB2C23D25 8.02 2.02 -8.12 0.09 0
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397504 135030310 1 NO2C20H25 AB2C20D25 -8.66 2.57 -8.25 0.3 0
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397505 135030311 1 NOH19C21 ABC19D21 71.16 3.93 -8.63 -0.16 0
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397506 135030312 1 ClNC22H22 ABC22D22 83.1 4.46 -8.26 0.04 0
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397507 135030313 2 NO3C7H12 AB3C7D12 -267.05 5.65 -10.01 0.44 0
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397508 135030314 1 N2O6C31H42 A2B6C31D42 -209.81 4.15 -9.33 -0.04 0
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397509 135030315 1 N2O6C17H30 A2B6C17D30 -266.58 3.03 -9.55 0.78 0
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397510 135030316 1 ON2H12C16 AB2C12D16 39.47 4.79 -8.78 -1.12 -2
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397511 135030318 1 OYS3H8C11 ABC3D8E11 78.43 5.49 0.0 0.0 -2
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397512 135030319 1 YO2S3H18C23 AB2C3D18E23 10.63 27.97 0.0 0.0 -2
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397513 135030320 1 OYS3C16H18 ABC3D16E18 59.7 7.13 0.0 0.0 0
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397514 135030321 1 OSSiC22H32 ABCD22E32 -80.76 2.53 -8.73 -0.28 0
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397515 135030322 1 NSO3C16H17 ABC3D16E17 -58.43 2.26 -9.46 -0.35 0
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397516 135030323 1 NO2S2F3C17H18 AB2C2D3E17F18 -206.71 3.19 -8.84 -0.6 0
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397517 135030324 1 O3C15H16 A3B15C16 -92.99 1.26 -9.6 -0.04 1
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397518 135030327 1 N3C12H14 A3B12C14 72.03 4.11 0.0 0.0 0
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397519 135030329 1 O2N3H19C22 A2B3C19D22 13.81 2.32 -8.79 -1.2 0
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397520 135030334 1 ClO2N3H18C22 AB2C3D18E22 4.81 3.13 -8.81 -1.28 0
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397521 135030335 2 N2O2H9C11 A2B2C9D11 10.03 6.93 -8.96 -1.54 0
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397522 135030336 1 O2N3H23C24 A2B3C23D24 5.27 2.21 -8.75 -1.11 0
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397523 135030338 1 ClO2N4H17C21 AB2C4D17E21 15.35 5.25 -9.25 -1.47 0
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397524 135030339 1 N3O3C19H25 A3B3C19D25 -125.63 3.81 -8.95 -0.52 0
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397526 135030341 1 N3O4C19H25 A3B4C19D25 -163.84 4.49 -9.27 -0.94 0
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397527 135030342 1 N3O4C19H29 A3B4C19D29 -194.55 4.75 -9.14 -0.38 0
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397528 135030343 1 SO18C76H86 AB18C76D86 -625.15 9.51 -8.33 -0.25 0
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397529 135030344 1 SO19C76H86 AB19C76D86 -636.57 5.68 -8.11 0.01 0
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397530 135030345 2 O3C22H25 A3B22C25 -177.31 2.7 -9.2 0.22 0
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397531 135030347 1 ClSO11C62H63 ABC11D62E63 -296.9 5.68 -9.02 -0.42 0
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397532 135030350 2 O2H19C25 A2B19C25 183.18 4.05 -8.59 -1.15 0
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397533 135030352 1 NSiO3C10H21 ABC3D10E21 -191.92 5.29 -9.53 0.36 0
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397535 135030354 2 ON2H16C17 AB2C16D17 100.72 5.01 -7.95 -0.62 0