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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446298 135273861 1 O3C26H30 A3B26C30 -12.07 5.02 -8.53 -0.73 0
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446299 135273875 1 ON3C17H23 AB3C17D23 12.04 4.86 -8.48 0.0 0
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446300 135273883 2 ON3C13H16 AB3C13D16 39.64 3.54 -8.72 -0.7 0
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446301 135273889 1 ClN5O5C23H26 AB5C5D23E26 -125.83 1.37 -8.99 -0.81 0
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446302 135273901 1 SN4H22C37 AB4C22D37 210.08 2.01 -7.94 -1.22 0
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446303 135273914 3 NH9C13 AB9C13 173.59 2.42 -8.17 -1.11 0
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446304 135273917 1 N3H33C47 A3B33C47 206.44 1.51 -8.21 -0.81 0
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446305 135273929 1 O4N6C27H34 A4B6C27D34 -65.94 6.31 -8.75 -0.72 0
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446306 135273930 1 O3N6C27H34 A3B6C27D34 -34.07 5.01 -8.69 -0.69 0
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446307 135273940 1 NSH13C22 ABC13D22 97.08 2.57 -7.83 -1.0 0
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446308 135273943 1 ClNSH18C28 ABCD18E28 107.02 1.77 -8.02 -0.93 0
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446309 135273945 1 NSH13C22 ABC13D22 96.72 0.58 -7.95 -1.0 0
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446310 135273952 1 O2N3H23C45 A2B3C23D45 280.85 5.68 -7.93 -1.79 0
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446311 135273958 1 O2N4H22C43 A2B4C22D43 184.97 10.2 -8.31 -1.42 0
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446312 135273961 3 NH9C13 AB9C13 179.0 3.09 -8.09 -1.09 0
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446313 135273969 1 O2N6C29H38 A2B6C29D38 2.07 2.35 -8.59 -0.56 0
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446314 135273976 1 N2C13H16 A2B13C16 37.23 5.49 -8.76 -0.06 0
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446315 135273996 1 NC16H19 AB16C19 19.14 3.39 -9.08 -0.05 0
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446316 135274002 1 FN2C14H17 AB2C14D17 -11.22 4.62 -8.7 0.07 0
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446317 135274023 1 O3N5C26H33 A3B5C26D33 -69.0 3.29 -8.73 -0.41 0
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446318 135274028 1 FO2N5H22C27 AB2C5D22E27 22.16 3.76 -9.13 -1.09 0
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446319 135274031 1 ON5C25H25 AB5C25D25 79.67 5.84 -8.43 -0.52 0
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446320 135274052 1 NO5C12H21 AB5C12D21 -259.85 3.41 -10.07 0.45 0
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446321 135274063 1 ClIOPN3C13H16 ABCDE3F13G16 -42.41 3.04 -8.87 -1.23 0
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446322 135274067 1 NH27C41 AB27C41 161.98 2.2 -8.02 -1.24 0
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446323 135274071 1 N2H30C43 A2B30C43 167.86 4.75 -7.89 -0.68 0
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446324 135274079 1 OSC7H12 ABC7D12 -49.07 1.76 -9.34 0.05 0
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446325 135274081 1 O2C17H30 A2B17C30 -121.87 2.38 -9.56 0.64 0
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446326 135274102 1 S2N4O9C49H56 A2B4C9D49E56 -304.92 14.05 -7.96 -1.63 0
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446327 135274112 1 S2N4O9C49H56 A2B4C9D49E56 -311.26 15.18 -8.17 -1.58 -1
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446328 135274128 1 S3N6O10C65H89 A3B6C10D65E89 -396.08 6.62 0.0 0.0 -1
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446329 135274130 1 S2N5O8C50H58 A2B5C8D50E58 -244.52 9.28 0.0 0.0 -1
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446330 135274143 1 S3N6O10C51H61 A3B6C10D51E61 -323.9 2.52 0.0 0.0 0
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446331 135274158 1 NO3C10H17 AB3C10D17 -149.78 3.8 -9.36 0.44 0
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446332 135274170 2 NO2C10H10 AB2C10D10 -116.42 3.02 -9.46 -0.96 0
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446333 135274175 1 N5O5C21H25 A5B5C21D25 -132.11 3.27 -9.24 -0.86 0
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446334 135274177 1 N2O5C18H22 A2B5C18D22 -190.44 5.28 -9.51 -1.02 0
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446335 135274183 1 NO4C17H17 AB4C17D17 -95.43 3.72 -9.73 -1.1 0
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446336 135274185 1 N2O3C16H18 A2B3C16D18 -86.02 5.29 -9.32 -0.85 0
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446337 135274189 2 N2O2C9H10 A2B2C9D10 -90.04 8.8 -9.54 -1.14 0
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446338 135274195 1 NO5C15H17 AB5C15D17 -187.31 3.84 -9.35 -1.08 0
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446339 135274197 1 NO5C18H19 AB5C18D19 -135.13 5.67 -9.04 -0.81 0
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446340 135274203 1 NO5C22H23 AB5C22D23 -170.99 3.65 -9.56 -0.69 0
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446341 135274210 1 ClNH20C25 ABC20D25 66.55 2.25 -8.29 -0.79 0
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446342 135274217 1 ClIO2N6C23H28 ABC2D6E23F28 10.16 3.92 -8.98 -0.98 0
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446343 135274227 1 NH21C35 AB21C35 158.44 1.4 -8.05 -0.65 0
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446344 135274234 1 PO2N3C6H12 AB2C3D6E12 -101.49 1.78 -9.56 -0.11 0
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446345 135274240 1 O2N3C7H13 A2B3C7D13 -96.85 3.08 -9.63 0.27 0
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446346 135274244 1 S2N3C6H11 A2B3C6D11 14.97 3.26 -8.78 -0.69 0
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446347 135274264 1 NH25C35 AB25C35 155.63 0.58 -8.19 -0.91 0
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446348 135274279 1 O3C10H14 A3B10C14 -110.07 4.52 -9.27 -0.69 0
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446349 135274280 1 O2N3C13H23 A2B3C13D23 -74.23 2.73 -9.28 0.33 0
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446350 135274283 1 OPN2C8H9 ABC2D8E9 32.78 5.65 -8.63 -0.2 0
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446351 135274285 1 ClNOH14C22 ABCD14E22 47.49 1.62 -8.21 -0.98 0
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446352 135274286 1 BrNOH8C17 ABCD8E17 63.48 3.77 -8.83 -1.47 0
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446353 135274303 1 O3N4C20H20 A3B4C20D20 24.21 4.23 -9.78 -1.04 0
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446354 135274307 1 O2N3C22H29 A2B3C22D29 -28.63 2.86 -8.54 -0.1 0
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446355 135274339 1 BrN2C9H15 AB2C9D15 12.19 4.03 -9.17 0.19 0
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446356 135274352 1 ClFN4C12H12 ABC4D12E12 45.49 3.98 -9.5 -1.08 0
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446357 135274354 1 PSC6H14 ABC6D14 -33.63 4.42 0.0 0.0 0
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446358 135274361 2 OC5H7 AB5C7 -74.48 5.06 -9.67 0.72 0
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446359 135274365 1 PO5C11H19 AB5C11D19 -242.16 5.41 -9.71 0.97 0
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446360 135274371 1 O4N5C13H13 A4B5C13D13 -51.71 2.51 -9.3 -1.03 0
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446361 135274379 1 NC14H31 AB14C31 -55.83 1.06 -8.34 2.83 0
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446362 135274397 2 SN2O6C10H15 AB2C6D10E15 -552.94 13.28 -9.8 -1.92 0
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446363 135274400 1 NSO5C16H35 ABC5D16E35 -266.1 6.11 -9.02 1.23 0
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446364 135274414 2 NC9H20 AB9C20 -65.34 0.89 -7.95 2.59 0
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446365 135274426 2 SO2C11H21 AB2C11D21 -259.07 4.24 -9.31 -1.26 0
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446366 135274441 2 ClNC9H15 ABC9D15 -37.68 4.35 -8.14 -0.05 0
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446367 135274444 2 NC11H20 AB11C20 -43.06 0.25 -7.86 0.85 0
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446368 135274445 1 O5C18H38 A5B18C38 -283.81 3.24 -9.27 1.74 0
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446369 135274454 1 O5C22H46 A5B22C46 -301.59 1.13 -9.24 1.59 0
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446370 135274480 2 O2C8H15 A2B8C15 -211.89 2.07 -9.38 0.17 0
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446371 135274486 2 O3C14H24 A3B14C24 -312.61 3.59 -9.02 0.37 0
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446372 135274495 2 NO3C13H24 AB3C13D24 -290.05 5.31 -8.53 0.21 0
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446373 135274516 2 SC9H19 AB9C19 -82.86 0.79 -8.11 -0.78 0
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446374 135274527 1 N8O9C58H118 A8B9C58D118 -572.77 9.15 -8.62 0.39 0
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446376 135274539 1 O2C13H16 A2B13C16 -67.68 2.93 -9.7 0.25 0
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446377 135274546 1 N4O5C54H114 A4B5C54D114 -387.76 4.8 -8.34 1.52 0
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446378 135274553 1 ON2C24H52 AB2C24D52 -126.15 0.18 -8.56 1.96 0
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446379 135274556 1 O2C7H14 A2B7C14 -77.05 2.57 -9.89 1.61 0
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446380 135274557 2 OC7H9 AB7C9 -72.17 3.03 -9.61 0.3 0
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446382 135274568 1 O6H16C23 A6B16C23 -165.98 4.88 -9.47 -1.45 0
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446383 135274578 1 N3O13C33H57 A3B13C33D57 -625.77 9.41 -9.52 -0.23 0
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446384 135274584 1 O6C23H46 A6B23C46 -329.24 3.01 -9.25 1.55 0
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446385 135274586 1 N5C26H51 A5B26C51 -60.74 2.28 -8.57 0.61 0
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446386 135274596 1 F8O21C46H86 A8B21C46D86 -728.07 3.52 -9.61 -0.54 0
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446387 135274597 1 F8O21C46H86 A8B21C46D86 -735.12 2.64 -9.61 -0.44 0
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446388 135274598 2 NC12H26 AB12C26 -93.07 1.82 -8.31 2.6 0
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446389 135274601 2 F4O11C24H45 A4B11C24D45 -768.82 11.23 -9.25 -0.52 0
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446390 135274623 1 S4O7C17H36 A4B7C17D36 -365.08 4.27 -8.84 -0.25 0
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446391 135274651 1 O13C22H46 A13B22C46 -641.7 7.2 -10.02 0.46 0
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446392 135274653 1 ON2C24H50 AB2C24D50 -132.12 3.07 -8.94 0.61 0
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446393 135274654 1 ON2C24H50 AB2C24D50 -152.0 3.48 -9.1 1.35 0
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446394 135274655 1 N6F8O12C37H74 A6B8C12D37E74 -306.09 9.06 -8.46 -0.57 0
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446395 135274656 2 NSO3C11H16 ABC3D11E16 -215.74 8.74 -8.54 -0.66 0
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446396 135274657 1 N6O20C45H98 A6B20C45D98 -623.63 3.13 -8.54 0.04 0
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446397 135274667 1 F8N8S8O33C58H94 A8B8C8D33E58F94 -989.85 6.62 -9.04 -1.15 0
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446398 135274674 1 F8N8S8O33C58H96 A8B8C8D33E58F96 -947.23 8.18 -8.93 -0.81 0
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446399 135274687 1 OS2C14H28 AB2C14D28 -99.67 5.35 -8.43 0.55 0