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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84399 49866226 1 FN3O3C27H28 AB3C3D27E28 -100.59 2.96 -7.96 -0.3 0
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84400 49866228 1 N5C17H27 A5B17C27 65.37 3.81 -8.88 -0.14 0
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84401 49866236 2 NO2H9C11 AB2C9D11 -10.24 8.99 -8.92 -1.69 0
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84402 49866250 1 OSN3C13H19 ABC3D13E19 19.02 5.22 -8.52 -0.82 0
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84403 49866262 1 N2O6C23H26 A2B6C23D26 -174.45 2.74 -8.58 -0.54 0
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84404 49866264 1 N3O6C24H29 A3B6C24D29 -163.44 7.62 -8.26 -0.41 0
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84405 49866295 1 SN6O6C43H70 AB6C6D43E70 -273.22 4.11 -8.74 -0.73 0
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84406 49866298 1 ClO13C24H29 AB13C24D29 -532.33 4.78 -9.15 -1.19 0
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84407 49866314 1 SCl2N3O5C22H25 AB2C3D5E22F25 -185.54 3.74 -8.66 -0.88 0
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84408 49866316 1 BrO11C35H39 AB11C35D39 -437.57 14.28 -9.44 -0.77 0
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84409 49866319 1 Br2O11C36H40 A2B11C36D40 -446.64 2.97 -9.59 -1.01 0
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84410 49866320 1 BrO11C36H41 AB11C36D41 -452.84 11.55 -9.54 -0.92 0
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84411 49866321 1 O11C37H44 A11B37C44 -463.18 9.38 -9.4 -0.45 0
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84412 49866323 1 BrO11C35H39 AB11C35D39 -439.18 10.2 -9.53 -1.24 0
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84413 49866326 1 NO11C36H39 AB11C36D39 -408.26 6.38 -9.82 -1.08 0
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84414 49866330 1 IO11C35H39 AB11C35D39 -428.2 9.01 -9.51 -1.18 0
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84415 49866331 1 NO11C37H41 AB11C37D41 -414.05 9.06 -9.82 -1.01 0
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84416 49866337 1 N3O11C43H57 A3B11C43D57 -439.13 9.72 -8.98 -0.72 0
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84417 49866341 1 FN4O6H29C31 AB4C6D29E31 -131.16 5.82 -8.59 -1.22 0
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84418 49866342 1 F3N4O6H29C32 A3B4C6D29E32 -246.89 4.8 -8.65 -1.63 0
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84419 49866343 1 F3N4O6H31C33 A3B4C6D31E33 -252.99 7.0 -8.59 -1.53 0
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84420 49866359 1 O11C36H36 A11B36C36 -351.69 2.62 -8.45 -0.8 0
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84421 49866360 1 O8H24C27 A8B24C27 -226.4 6.04 -8.61 -0.87 0
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84422 49866379 1 ClNO4C6H10 ABC4D6E10 -190.99 5.61 -10.84 0.09 0
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84424 49866402 1 SN4O5C13H18 AB4C5D13E18 -148.85 2.6 -9.26 -1.34 0
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84425 49866403 2 O2C9H16 A2B9C16 -140.36 3.32 -9.26 0.25 0
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84426 49866407 1 BrSN3O5C14H18 ABC3D5E14F18 -154.29 3.13 -9.12 -1.32 0
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84427 49866411 1 FeN2S2O3C14H16 AB2C2D3E14F16 -74.87 7.0 -7.34 -0.55 0
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84428 49866412 1 N4O6C33H36 A4B6C33D36 -155.09 10.12 -8.64 -1.72 0
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84429 49866414 1 SN3O5C15H21 AB3C5D15E21 -171.39 7.94 -8.76 -0.95 3
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84430 49866417 1 CuOH3 ABC3 155.47 4.77 -3.81 -0.92 2
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84431 49866420 1 FeN4O4H38C40 AB4C4D38E40 171.5 9.5 -8.27 -1.39 0
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84432 49866422 2 O5N12C26H30 A5B12C26D30 -159.27 7.22 -8.88 -0.56 0
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84433 49866430 1 FSN3O5C14H18 ABC3D5E14F18 -204.57 4.47 -8.93 -1.11 0
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84434 49866431 1 SF3N3O5C15H18 AB3C3D5E15F18 -319.05 3.74 -9.11 -1.31 0
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84435 49866432 1 BrN7C16H20 AB7C16D20 95.86 3.42 -8.13 -0.62 0
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84436 49866433 1 BrSN3O5C14H18 ABC3D5E14F18 -158.09 3.22 -9.11 -1.15 -1
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84437 49866439 1 ClNO4C21H23 ABC4D21E23 -118.79 4.11 0.0 0.0 0
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84438 49866440 1 SN3O6C14H19 AB3C6D14E19 -201.22 6.91 -9.01 -1.61 0
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84439 49866442 2 NC3H6 AB3C6 -2.7 0.8 -8.35 1.44 0
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84440 49866446 1 PN2O9C13H19 AB2C9D13E19 -434.97 4.36 -9.86 -0.7 0
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84441 49866448 1 PN4O8C14H19 AB4C8D14E19 -341.95 2.57 -9.32 -0.67 0
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84442 49866449 1 PN2O9C14H23 AB2C9D14E23 -466.69 1.78 -9.64 -0.49 0
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84443 49866451 1 ClO2N5H10C17 AB2C5D10E17 156.16 4.26 -9.78 -2.59 0
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84444 49866455 1 NO2C6H15 AB2C6D15 -124.26 2.03 -9.84 2.4 0
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84445 49866456 1 P2O11C47H98 A2B11C47D98 -813.52 5.65 -10.14 0.41 0
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84446 49866457 1 N2O11C20H20 A2B11C20D20 -429.59 4.66 -9.24 -1.27 0
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84447 49866459 1 FPN5O6C12H13 ABC5D6E12F13 -268.16 4.75 -9.16 -1.14 0
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84448 49866460 1 FPN4O7C10H12 ABC4D7E10F12 -337.25 10.44 -9.14 -0.52 0
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84449 49866461 1 O5C8H14 A5B8C14 -241.61 2.69 -10.52 0.33 0
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84450 49866464 1 PN5O7C11H16 AB5C7D11E16 -315.74 2.23 -8.99 -0.42 0
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84451 49866471 1 PN5O6C10H14 AB5C6D10E14 -259.0 1.99 -9.04 -0.68 2
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84452 49866472 1 PtSN6C20H30 ABC6D20E30 126.52 13.65 -7.63 -1.75 0
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84453 49866477 1 N5C10H11 A5B10C11 101.94 7.03 -9.59 -1.23 0
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84454 49866478 1 S3N4O6C22H24 A3B4C6D22E24 -170.37 3.63 -8.74 -1.68 1
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84455 49866480 1 N2O4H23C25 A2B4C23D25 -68.94 4.32 0.0 0.0 0
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84456 49866481 1 SN2O2C9H10 AB2C2D9E10 -44.09 7.21 -8.72 -0.45 0
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84457 49866483 1 PN4O8C29H41 AB4C8D29E41 -379.42 7.37 -9.3 0.32 0
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84458 49866490 1 SN2F3O7C22H23 AB2C3D7E22F23 -314.92 1.65 -9.03 -1.73 0
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84459 49866497 4 OC6H7 AB6C7 -148.68 7.3 -8.69 -0.63 0
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84460 49866507 1 PN3O9C11H16 AB3C9D11E16 -435.17 5.54 -9.98 -1.06 0
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84461 49866514 1 PN3O7C12H16 AB3C7D12E16 -334.58 3.83 -8.75 -0.86 0
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84462 49866515 1 P4C17O22H36 A4B17C22D36 -1292.25 7.86 -10.78 -0.39 0
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84463 49866517 1 PSN3O5C10H16 ABC3D5E10F16 -243.6 8.21 -9.39 -0.3 -4
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84464 49866518 1 P4N7C20O20H25 A4B7C20D20E25 -931.44 6.62 -9.19 -2.46 0
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84465 49866519 1 O4C25H30 A4B25C30 -156.45 5.51 -8.86 -0.87 0
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84466 49866520 1 O2N4H14C15 A2B4C14D15 5.74 4.04 -8.36 -0.26 0
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84467 49866521 1 SN4O5C18H20 AB4C5D18E20 -118.39 3.22 -8.45 -1.57 0
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84468 49866523 3 OC6H6 AB6C6 -105.41 6.49 -8.85 -0.5 0
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84469 49866566 1 FeO2N4H30C32 AB2C4D30E32 32.39 2.94 -7.27 -1.11 4
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84470 49866589 1 PtN5C6H25 AB5C6D25 15.62 6.86 -8.22 -0.24 0
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84471 49866597 1 SO3N7C18H29 AB3C7D18E29 -78.02 2.5 -8.78 -0.9 0
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84472 49866626 1 BN3O4C13H26 AB3C4D13E26 -270.85 3.54 -9.28 0.74 0
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84473 49866636 2 PN3O7C11H16 AB3C7D11E16 -656.57 2.23 -8.37 -0.78 1
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84474 49866637 1 PN5O7C10H15 AB5C7D10E15 -298.25 4.65 0.0 0.0 0