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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216548 85086403 1 N2O5C13H16 A2B5C13D16 -138.94 5.4 -9.51 -0.44 0
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216549 85086404 1 O3N6C11H16 A3B6C11D16 -32.7 1.65 -9.47 -0.82 0
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216550 85086405 1 FO4C15H17 AB4C15D17 -207.69 4.38 -9.69 -0.5 0
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216551 85086408 2 NO2C7H10 AB2C7D10 -166.63 2.74 -9.76 -1.1 0
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216552 85086409 1 ON4C16H20 AB4C16D20 34.62 5.77 -8.26 -0.31 0
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216553 85086411 4 OC4H6 AB4C6 -146.76 3.89 -8.76 -0.04 0
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216554 85086414 1 SO3C15H20 AB3C15D20 -93.68 5.88 -10.05 -0.47 0
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216555 85086415 1 SO3C15H20 AB3C15D20 -123.09 7.07 -9.53 -0.16 0
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216556 85086416 1 O3C17H28 A3B17C28 -170.16 0.8 -10.13 -0.12 0
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216557 85086417 1 SO2C16H24 AB2C16D24 -104.91 2.98 -8.76 -0.17 0
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216558 85086418 1 SiO2C16H28 AB2C16D28 -115.42 1.85 -9.1 0.4 0
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216559 85086419 1 ClO4H13C14 AB4C13D14 -123.63 4.73 -9.42 -1.23 0
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216560 85086420 1 ClO3C15H17 AB3C15D17 -94.95 2.67 -9.81 -0.74 0
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216561 85086424 1 O2N3C16H19 A2B3C16D19 -38.59 4.92 -9.4 -0.3 0
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216562 85086426 1 NOC19H23 ABC19D23 7.29 0.84 -9.17 0.34 0
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216563 85086428 1 NC20H27 AB20C27 4.87 0.63 -8.46 0.49 0
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216564 85086429 1 ClNOSC14H16 ABCDE14F16 -34.95 2.89 -8.82 -0.37 0
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216565 85086433 1 ON2F3H11C14 AB2C3D11E14 -136.78 5.73 -9.03 -2.0 0
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216566 85086434 2 O3C7H9 A3B7C9 -249.46 5.4 -10.44 -0.09 0
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216567 85086435 1 O4H14C17 A4B14C17 -110.71 0.21 -9.45 -0.91 0
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216568 85086436 2 NSO2H3C5 ABC2D3E5 57.42 0.03 -9.85 -2.53 0
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216569 85086437 1 SO7C10H18 AB7C10D18 -324.74 3.72 -10.28 -0.3 0
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216570 85086438 3 OC6H6 AB6C6 -74.11 3.7 -9.32 0.14 0
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216571 85086439 1 O2C19H22 A2B19C22 -54.9 1.51 -8.25 0.17 0
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216572 85086440 2 NOSC6H7 ABCD6E7 -50.27 6.66 -9.15 -1.31 0
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216573 85086441 1 SO3C15H22 AB3C15D22 -123.06 2.74 -8.83 -0.16 0
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216574 85086442 1 OSN4C13H24 ABC4D13E24 -8.34 2.46 -8.46 -0.7 0
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216575 85086444 2 NOC8H15 ABC8D15 -130.09 2.15 -9.44 0.95 0
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216576 85086445 2 OC9H17 AB9C17 -156.34 1.61 -9.57 2.34 0
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216577 85086446 2 OC9H17 AB9C17 -153.54 1.52 -9.12 0.84 0
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216578 85086447 1 SiO2C16H30 AB2C16D30 -173.16 2.08 -8.82 0.37 0
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216579 85086449 1 ClON2H11C16 ABC2D11E16 69.06 7.22 -9.61 -1.52 0
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216580 85086450 1 ClN2O2C14H19 AB2C2D14E19 -46.06 4.39 -9.16 -0.64 0
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216581 85086452 1 INOC9H18 ABCD9E18 -31.22 11.61 -7.24 -0.03 1
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216582 85086453 1 NOC9H18 ABC9D18 -8.68 0.94 0.0 0.0 0
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216583 85086454 1 BrOC14H19 ABC14D19 -28.08 2.8 -9.33 -0.18 0
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216584 85086455 1 OSeC14H20 ABC14D20 -49.91 2.89 -8.2 0.06 0
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216585 85086456 1 ON3C17H21 AB3C17D21 1.38 7.32 -8.23 -0.21 0
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216586 85086460 1 ClOZnH11C13 ABCD11E13 70.9 2.05 -8.58 -1.3 0
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216587 85086461 1 N2F3O5C9H11 A2B3C5D9E11 -276.66 7.77 -11.08 -0.69 0
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216588 85086462 1 N4O4H6C13 A4B4C6D13 70.1 3.55 -10.09 -3.4 0
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216589 85086463 1 SN4O4C10H12 AB4C4D10E12 -129.2 5.18 -10.14 -1.67 0
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216590 85086464 2 O3C7H10 A3B7C10 -245.11 4.56 -9.4 -0.33 0
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216591 85086465 1 N2O3C16H16 A2B3C16D16 -27.26 4.86 -8.92 -1.1 0
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216592 85086467 1 O5C15H24 A5B15C24 -227.36 0.98 -9.43 0.28 0
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216593 85086470 1 O3C18H20 A3B18C20 -47.44 2.04 -10.04 -0.63 0
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216594 85086473 1 OH16C21 AB16C21 59.68 0.72 -8.28 -0.62 0
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216595 85086474 1 N2O2C17H20 A2B2C17D20 -6.57 3.08 -8.31 -0.05 0
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216596 85086475 1 O2C19H24 A2B19C24 -92.51 2.92 -8.91 0.26 0
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216597 85086478 2 OC9H18 AB9C18 -170.04 2.57 -9.71 1.94 0
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216598 85086479 1 ClN2O4C12H13 AB2C4D12E13 -111.67 4.02 -8.84 -0.8 0
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216599 85086480 1 IOSN3C5H12 ABCD3E5F12 -7.53 11.55 -8.02 -1.03 0
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216600 85086483 2 ClFH4C7 ABC4D7 -49.6 0.13 -9.65 -0.59 0
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216601 85086484 1 BrON2C12H17 ABC2D12E17 18.8 3.34 -8.86 -0.13 0
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216602 85086485 1 N5O6C9H11 A5B6C9D11 -131.08 3.82 -10.19 -1.61 0
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216603 85086487 5 NOC2H3 ABC2D3 -123.91 2.33 -9.59 -1.42 0
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216604 85086488 1 FN3O4C12H18 AB3C4D12E18 -236.96 3.4 -9.91 -0.63 0
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216605 85086489 1 NO6C13H19 AB6C13D19 -252.28 4.75 -10.33 0.36 0
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216606 85086490 1 SO2N3C14H17 AB2C3D14E17 -69.6 5.36 -8.92 -0.47 0
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216607 85086491 1 NO5C14H23 AB5C14D23 -240.33 2.23 -9.9 -0.45 0
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216608 85086493 1 NO3C17H19 AB3C17D19 -112.28 3.81 -8.41 -0.34 0
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216609 85086494 1 O2N3C16H19 A2B3C16D19 5.68 4.32 -9.14 -1.44 0
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216610 85086495 1 O2N3C16H19 A2B3C16D19 2.11 3.94 -9.31 -0.22 0
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216611 85086496 1 NSO2H15C16 ABC2D15E16 17.11 5.35 -8.69 -1.05 0
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216612 85086499 1 NOC19H27 ABC19D27 -43.45 3.76 -8.75 0.34 0
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216613 85086501 1 NOSiC17H23 ABCD17E23 -57.73 4.42 -9.38 0.16 0
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216614 85086502 1 ClNSO3C12H12 ABCD3E12F12 -32.54 6.26 -8.92 -1.06 0
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216615 85086504 1 BC20H35 AB20C35 -58.27 0.55 -9.49 0.7 0
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216616 85086506 1 O4C17H18 A4B17C18 -106.55 1.16 -8.58 0.13 0
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216617 85086507 1 O4C17H18 A4B17C18 -120.33 4.21 -9.02 -0.42 0
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216618 85086508 1 N2O5C13H22 A2B5C13D22 -255.22 6.51 -9.68 0.36 0
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216619 85086509 1 N2O5C13H22 A2B5C13D22 -185.74 2.88 -9.22 -0.62 0
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216620 85086510 1 N2O3C16H18 A2B3C16D18 29.2 4.32 -8.63 -0.29 0
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216621 85086511 1 O2N4C15H18 A2B4C15D18 -38.68 8.37 -8.68 -1.22 0
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216622 85086512 1 O5C15H26 A5B15C26 -253.67 4.85 -9.94 0.9 0