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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42254 8149360 1 OSN4C19H22 ABC4D19E22 2.94 2.15 -8.64 -0.9 1
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42255 8149361 1 OS2N4H17C18 AB2C4D17E18 73.34 5.62 0.0 0.0 0
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42256 8149362 1 OS2N4H16C18 AB2C4D16E18 58.27 2.35 -8.72 -1.08 1
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42257 8149363 1 OS2N4H17C18 AB2C4D17E18 74.02 8.56 0.0 0.0 0
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42258 8149364 1 OS2N4H16C18 AB2C4D16E18 58.81 1.34 -8.86 -1.29 1
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42259 8149365 1 SN3O3C21H30 AB3C3D21E30 -122.4 8.44 0.0 0.0 0
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42260 8149366 1 SN3O3C21H29 AB3C3D21E29 -139.03 3.86 -8.6 -0.84 0
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42261 8149368 1 N3O4C19H27 A3B4C19D27 -157.62 3.93 -9.4 -0.52 1
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42262 8149369 1 SN3O3C21H30 AB3C3D21E30 -122.5 8.0 0.0 0.0 0
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42263 8149370 1 SN3O3C21H29 AB3C3D21E29 -136.11 2.55 -8.54 -0.78 0
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42264 8149372 1 SN3O3C21H29 AB3C3D21E29 -138.07 4.03 -8.55 -0.78 1
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42265 8149373 1 N3O4C19H28 A3B4C19D28 -150.28 13.69 0.0 0.0 0
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42266 8149374 1 N3O4C19H27 A3B4C19D27 -160.59 4.2 -9.46 -0.63 1
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42267 8149375 1 SN3O3C21H30 AB3C3D21E30 -121.3 8.01 0.0 0.0 0
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42268 8149376 1 SN3O3C21H29 AB3C3D21E29 -134.89 2.93 -8.52 -0.76 1
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42269 8149377 1 SN3O5C20H28 AB3C5D20E28 -207.59 18.8 0.0 0.0 0
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42270 8149378 1 SN3O5C20H27 AB3C5D20E27 -215.3 5.76 -8.91 -1.18 1
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42271 8149379 1 N2O3C19H21 A2B3C19D21 -45.71 3.0 0.0 0.0 1
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42272 8149380 1 SN3O5C20H28 AB3C5D20E28 -206.79 19.02 0.0 0.0 0
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42273 8149381 1 SN3O5C20H27 AB3C5D20E27 -218.41 4.81 -9.01 -1.28 0
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42274 8149383 1 S2N3O3C20H23 A2B3C3D20E23 -83.67 2.91 -8.49 -1.08 1
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42275 8149384 1 S2N3O3C20H24 A2B3C3D20E24 -67.32 16.57 0.0 0.0 0
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42276 8149385 1 S2N3O3C20H23 A2B3C3D20E23 -79.49 4.23 -8.64 -0.98 1
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42277 8149386 1 NO2C23H32 AB2C23D32 -42.64 1.79 0.0 0.0 0
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42278 8149387 1 NO2C23H31 AB2C23D31 -68.87 2.88 -8.8 0.22 1
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42279 8149388 1 SN3O3C21H32 AB3C3D21E32 -129.22 8.43 0.0 0.0 0
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42280 8149389 1 SN3O3C21H31 AB3C3D21E31 -145.31 4.01 -8.64 -0.81 1
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42281 8149390 1 SN3O3C21H32 AB3C3D21E32 -128.67 5.96 0.0 0.0 0
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42282 8149391 1 SN3O3C21H31 AB3C3D21E31 -145.18 3.85 -8.66 -0.84 1
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42283 8149392 1 OSN3C14H20 ABC3D14E20 -17.96 6.41 0.0 0.0 0
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42284 8149393 1 OSN3C14H19 ABC3D14E19 -32.92 2.67 -8.59 -0.85 1
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42285 8149394 1 NO2C23H32 AB2C23D32 -42.17 2.73 0.0 0.0 0
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42286 8149395 1 NO2C23H31 AB2C23D31 -68.64 2.87 -8.8 0.18 1
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42287 8149396 1 OSN3C14H20 ABC3D14E20 -16.77 6.42 0.0 0.0 0
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42288 8149397 1 OSN3C14H19 ABC3D14E19 -31.75 2.74 -8.58 -0.84 1
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42289 8149398 1 OSN3C14H20 ABC3D14E20 -14.63 4.29 0.0 0.0 0
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42290 8149399 1 OSN3C14H19 ABC3D14E19 -34.88 2.92 -8.53 -0.76 0
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42291 8149401 1 OSN3C14H19 ABC3D14E19 -33.61 2.93 -8.53 -0.76 1
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42292 8149402 1 NO2C23H32 AB2C23D32 -44.17 0.8 0.0 0.0 0
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42293 8149403 1 NO2C23H31 AB2C23D31 -69.15 2.96 -8.49 0.13 0
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42294 8149405 1 OS2N3C13H13 AB2C3D13E13 21.79 4.48 -8.6 -0.97 1
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42295 8149406 1 OS2N3C13H14 AB2C3D13E14 38.12 8.44 0.0 0.0 0
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42296 8149407 1 OS2N3C13H13 AB2C3D13E13 22.65 3.99 -8.66 -1.04 1
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42297 8149408 1 NO2C23H32 AB2C23D32 -44.28 1.91 0.0 0.0 0
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42298 8149409 1 NO2C23H31 AB2C23D31 -68.89 2.63 -8.46 0.12 1
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42299 8149410 1 OSN3C15H22 ABC3D15E22 -25.73 6.61 0.0 0.0 0
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42300 8149411 1 OSN3C15H21 ABC3D15E21 -39.27 2.78 -8.57 -0.81 1
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42301 8149412 1 OSN3C15H22 ABC3D15E22 -25.73 6.67 0.0 0.0 0
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42302 8149413 1 OSN3C15H21 ABC3D15E21 -41.03 2.93 -8.52 -0.74 1
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42303 8149414 1 OSN3C15H22 ABC3D15E22 -24.52 6.76 0.0 0.0 0
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42304 8149415 1 OSN3C15H21 ABC3D15E21 -38.09 2.87 -8.55 -0.8 1
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42305 8149416 1 N2O3C18H29 A2B3C18D29 -74.31 5.45 0.0 0.0 0
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42306 8149417 1 N2O3C18H28 A2B3C18D28 -96.4 5.63 -8.75 0.1 1
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42307 8149418 1 OSN3C15H22 ABC3D15E22 -21.09 4.64 0.0 0.0 0
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42308 8149419 1 OSN3C15H21 ABC3D15E21 -38.01 0.85 -8.67 -0.95 1
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42309 8149420 1 OS2N3C14H16 AB2C3D14E16 30.21 8.54 0.0 0.0 0
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42310 8149421 1 OS2N3C14H15 AB2C3D14E15 17.4 4.31 -8.65 -1.02 0
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42311 8149423 1 OS2N3C14H15 AB2C3D14E15 15.53 4.57 -8.59 -0.95 0
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42312 8149424 1 OSN3C19H21 ABC3D19E21 2.15 2.69 -8.55 -0.9 1
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42313 8149425 1 N2O3C18H29 A2B3C18D29 -73.35 3.63 0.0 0.0 0
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42314 8149426 1 N2O3C18H28 A2B3C18D28 -98.08 5.99 -8.89 0.13 0
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42315 8149427 1 OSN3C22H27 ABC3D22E27 -26.46 2.64 -8.62 -0.88 0
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42316 8149428 1 OSN3C22H27 ABC3D22E27 -25.32 2.66 -8.6 -0.86 0
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42317 8149429 1 SN2O5C21H22 AB2C5D21E22 -118.12 11.14 -8.64 -0.62 0
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42318 8149430 1 OSN3C22H27 ABC3D22E27 -26.99 2.36 -8.57 -0.82 0
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42319 8149431 1 OSN3C22H27 ABC3D22E27 -25.7 2.56 -8.56 -0.81 0
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42320 8149432 1 SN2O5C21H22 AB2C5D21E22 -128.99 6.28 -8.6 -0.52 0
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42321 8149433 1 ClOSN3H20C22 ABCD3E20F22 23.87 3.93 -8.79 -1.02 0
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42322 8149434 1 SN3O3C21H25 AB3C3D21E25 -106.45 5.39 -8.73 -1.41 1
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42323 8149435 1 SN3O4C21H26 AB3C4D21E26 -59.47 5.5 0.0 0.0 0
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42324 8149436 1 SN3O3C21H25 AB3C3D21E25 -107.01 5.76 -8.79 -1.3 0
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42325 8149437 1 OS2N3C21H21 AB2C3D21E21 30.31 3.99 -8.7 -1.09 0
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42326 8149439 1 SO2N3H17C22 AB2C3D17E22 20.62 2.38 -8.6 -0.95 0
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42327 8149440 1 N4O4C21H26 A4B4C21D26 -53.3 11.32 -7.98 -1.1 0
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42328 8149441 1 N3C22H25 A3B22C25 63.87 3.94 -8.64 -0.84 0
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42329 8149442 1 N3C22H25 A3B22C25 65.33 3.7 -8.59 -0.86 0
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42330 8149443 1 N3C22H25 A3B22C25 65.42 3.91 -8.6 -0.86 0
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42331 8149444 1 N4O4C21H26 A4B4C21D26 -53.58 8.67 -7.8 -1.22 0
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42332 8149445 1 O2N3C22H27 A2B3C22D27 -54.07 7.59 -8.0 -0.52 0
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42333 8149446 1 O2N3C22H27 A2B3C22D27 -44.7 8.12 -8.31 -0.41 0
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42334 8149447 1 OCl2N3C20H23 AB2C3D20E23 -23.15 2.75 -7.88 -0.6 0
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42335 8149448 1 OCl2N3C20H23 AB2C3D20E23 -25.44 5.25 -7.92 -0.46 2
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42336 8149449 1 ON4C22H34 AB4C22D34 -35.15 5.38 -8.79 -0.99 1
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42337 8149450 1 SN3O4C18H22 AB3C4D18E22 -99.96 7.37 0.0 0.0 0
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42338 8149451 1 SN3O4C18H21 AB3C4D18E21 -117.17 4.85 -9.13 -0.72 1
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42339 8149452 1 SN3O4C18H22 AB3C4D18E22 -99.93 6.32 0.0 0.0 0
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42340 8149453 1 SN3O4C18H21 AB3C4D18E21 -114.86 7.07 -9.35 -0.82 1
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42341 8149454 1 NCl2H18C21 AB2C18D21 72.46 3.42 0.0 0.0 0
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42342 8149455 1 NCl2H17C21 AB2C17D21 53.66 2.13 -8.91 -0.48 0
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42343 8149456 1 ON4C21H24 AB4C21D24 15.53 3.26 -7.62 -1.12 1
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42344 8149457 1 NCl2H18C21 AB2C18D21 71.58 3.14 0.0 0.0 0
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42345 8149458 1 NCl2H17C21 AB2C17D21 54.97 1.76 -8.91 -0.49 0
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42346 8149459 1 OSN4C21H24 ABC4D21E24 10.77 4.55 -7.95 -0.92 1
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42347 8149460 1 ClON3H17C18 ABC3D17E18 62.41 7.46 0.0 0.0 1
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42348 8149461 1 ClO2N3C17H27 AB2C3D17E27 -60.96 2.56 0.0 0.0 0
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42349 8149462 1 ClO2N3C17H26 AB2C3D17E26 -86.38 3.38 -8.13 -0.01 1
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42350 8149463 1 ClO2N3C17H27 AB2C3D17E27 -60.29 2.92 0.0 0.0 0
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42351 8149464 1 ClO2N3C17H26 AB2C3D17E26 -86.92 1.95 -8.29 -0.14 0
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42352 8149465 1 ClN2O2C22H23 AB2C2D22E23 -40.47 4.37 -8.03 -1.33 2
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42353 8149466 1 SO3N4C19H36 AB3C4D19E36 -121.15 5.21 -8.81 -0.34 0